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739

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBCSCCsing1.81Å1.83Å
CBCCACsing1.53Å1.52Å
CBCHBC1sing1.09Å1.11Å
CBCHBC2sing1.09Å1.12Å
SCCHCCsing1.34Å0.95Å
CCCACsing1.53Å1.51Å
CCNIsing1.47Å1.40Å
CCHCC1sing1.09Å1.12Å
CCHCC2sing1.09Å1.11Å
NCCACsing1.47Å1.49Å
NCHNC1sing1.01Å1.02Å
NCHNC2sing1.01Å1.02Å
CACHACsing1.09Å1.12Å
NICAIsing1.47Å1.44Å
NIHNIsing1.01Å1.02Å
CAICBIsing1.53Å1.59Å
CAICIsing1.53Å1.54Å
CAIHAIsing1.09Å1.11Å
CBICCIsing1.53Å1.52Å
CBICDIsing1.53Å1.54Å
CBIHBIsing1.09Å1.11Å
CCIHCI1sing1.09Å1.11Å
CCIHCI2sing1.09Å1.12Å
CCIHCI3sing1.09Å1.12Å
CDICEIsing1.53Å1.51Å
CDIHDI1sing1.09Å1.12Å
CDIHDI2sing1.09Å1.12Å
CEIHEI1sing1.09Å1.12Å
CEIHEI2sing1.09Å1.11Å
CEIHEI3sing1.09Å1.11Å
CIO'Fsing1.43Å1.48Å
CIHI1sing1.09Å1.11Å
CIHI2sing1.09Å1.12Å
O'FCAFsing1.43Å1.44Å
CAFCBFsing1.53Å1.55Å
CAFCFsing1.51Å1.54Å
CAFHAFsing1.09Å1.12Å
CBFCCFsing1.51Å1.50Å
CBFHBF1sing1.09Å1.12Å
CBFHBF2sing1.09Å1.12Å
CCFCDFdoub1.38Å1.39ÅAromatic
CCFCEFsing1.38Å1.38ÅAromatic
CDFCFFsing1.38Å1.40ÅAromatic
CDFHDFsing1.08Å1.10Å
CEFCGFdoub1.38Å1.41ÅAromatic
CEFHEFsing1.08Å1.10Å
CFFCHFdoub1.38Å1.38ÅAromatic
CFFHFFsing1.08Å1.10Å
CGFCHFsing1.38Å1.41ÅAromatic
CGFHGFsing1.08Å1.10Å
CHFHHFsing1.08Å1.10Å
CFOFdoub1.21Å1.22Å
CFNMsing1.35Å1.33Å
NMCAMsing1.46Å1.47Å
NMHNMsing0.97Å1.02Å
CAMCBMsing1.53Å1.54Å
CAMCMsing1.51Å1.53Å
CAMHAMsing1.09Å1.11Å
CBMCCMsing1.53Å1.50Å
CBMHBM1sing1.09Å1.12Å
CBMHBM2sing1.09Å1.12Å
CCMSDMsing1.81Å1.70Å
CCMHCM1sing1.09Å1.11Å
CCMHCM2sing1.09Å1.12Å
SDMODMdoub1.42Å1.54Å
SDMOEMdoub1.42Å1.66Å
SDMCEMsing1.81Å1.73Å
CEMHEM1sing1.09Å1.12Å
CEMHEM2sing1.09Å1.11Å
CEMHEM3sing1.09Å1.11Å
CMOsing1.34Å1.26Å
CMOXTdoub1.21Å1.25Å
OHOsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
SCCCBCCAC111.0°109.5°
SCCCBCHBC1111.7°109.5°
SCCCBCHBC2111.7°109.4°
CBCSCCHCC111.0°100.0°
CACCBCHBC1111.6°109.5°
CACCBCHBC2111.6°109.5°
CBCCACCC107.9°109.5°
CBCCACNC108.6°109.5°
CBCCACHAC110.6°109.5°
HBC1CBCHBC298.7°109.5°
CACCCNI115.6°109.5°
CACCCHCC1110.0°109.5°
CACCCHCC2110.0°109.5°
CCCACNC108.3°109.5°
CCCACHAC110.9°109.5°
NICCHCC1110.0°109.5°
NICCHCC2110.0°109.4°
CCNICAI113.5°106.8°
CCNIHNI110.7°106.7°
HCC1CCHCC2100.2°109.5°
CACNCHNC1108.6°106.7°
CACNCHNC2112.5°106.7°
NCCACHAC110.3°109.4°
HNC1NCHNC2112.6°106.7°
CAINIHNI110.8°106.7°
NICAICBI105.7°109.5°
NICAICI108.3°109.5°
NICAIHAI114.5°109.4°
CBICAICI114.5°109.5°
CBICAIHAI108.4°109.5°
CAICBICCI112.4°109.5°
CAICBICDI110.9°109.5°
CAICBIHBI106.5°109.4°
CICAIHAI105.7°109.5°
CAICIO'F114.4°109.5°
CAICIHI1110.4°109.5°
CAICIHI2110.4°109.5°
CCICBICDI109.9°109.5°
CCICBIHBI107.7°109.5°
CBICCIHCI1112.4°109.4°
CBICCIHCI2111.1°109.5°
CBICCIHCI3111.1°109.4°
CDICBIHBI109.3°109.5°
CBICDICEI113.9°109.5°
CBICDIHDI1110.6°109.4°
CBICDIHDI2110.6°109.5°
HCI1CCIHCI2111.2°109.5°
HCI1CCIHCI3111.2°109.4°
HCI2CCIHCI399.2°109.5°
CEICDIHDI1110.6°109.4°
CEICDIHDI2110.6°109.5°
CDICEIHEI1113.8°109.5°
CDICEIHEI2110.5°109.4°
CDICEIHEI3110.6°109.5°
HDI1CDIHDI299.7°109.6°
HEI1CEIHEI2110.7°109.5°
HEI1CEIHEI3110.6°109.5°
HEI2CEIHEI399.7°109.5°
O'FCIHI1110.4°109.4°
O'FCIHI2110.4°109.4°
CIO'FCAF110.7°106.8°
HI1CIHI299.8°109.6°
O'FCAFCBF108.1°109.5°
O'FCAFCF107.1°109.5°
O'FCAFHAF111.6°109.5°
CBFCAFCF108.5°109.5°
CBFCAFHAF110.2°109.4°
CAFCBFCCF110.0°109.5°
CAFCBFHBF1112.0°109.4°
CAFCBFHBF2112.1°109.5°
CFCAFHAF111.2°109.5°
CAFCFOF120.4°120.0°
CAFCFNM117.6°120.0°
CCFCBFHBF1112.0°109.5°
CCFCBFHBF2112.0°109.5°
CBFCCFCDF119.9°120.0°
CBFCCFCEF120.9°120.0°
HBF1CBFHBF298.3°109.5°
CDFCCFCEF119.2°120.0°
CCFCDFCFF121.2°120.1°
CCFCDFHDF119.1°119.9°
CCFCEFCGF120.3°120.0°
CCFCEFHEF118.8°120.0°
CFFCDFHDF119.7°120.0°
CDFCFFCHF120.3°119.9°
CDFCFFHFF120.4°120.1°
CGFCEFHEF120.9°120.0°
CEFCGFCHF120.1°120.0°
CEFCGFHGF119.8°120.0°
CHFCFFHFF119.3°120.0°
CFFCHFCGF118.8°120.0°
CFFCHFHHF119.5°119.9°
CHFCGFHGF120.1°120.0°
CGFCHFHHF121.6°120.0°
OFCFNM121.9°120.0°
CFNMCAM119.8°120.0°
CFNMHNM115.1°120.0°
CAMNMHNM125.1°120.0°
NMCAMCBM110.9°109.5°
NMCAMCM108.6°109.5°
NMCAMHAM108.8°109.4°
CBMCAMCM108.8°109.5°
CBMCAMHAM108.7°109.5°
CAMCBMCCM110.9°109.5°
CAMCBMHBM1111.7°109.4°
CAMCBMHBM2111.7°109.5°
CMCAMHAM111.1°109.5°
CAMCMO119.3°120.0°
CAMCMOXT116.7°120.0°
CCMCBMHBM1111.7°109.5°
CCMCBMHBM2111.7°109.5°
CBMCCMSDM114.9°109.5°
CBMCCMHCM1110.2°109.4°
CBMCCMHCM2110.2°109.5°
HBM1CBMHBM298.6°109.4°
SDMCCMHCM1110.3°109.5°
SDMCCMHCM2110.2°109.5°
CCMSDMODM109.9°108.9°
CCMSDMOEM112.1°109.0°
CCMSDMCEM104.5°99.4°
HCM1CCMHCM2100.0°109.4°
ODMSDMOEM113.7°119.6°
ODMSDMCEM103.4°109.0°
OEMSDMCEM112.5°109.0°
SDMCEMHEM1104.5°109.4°
SDMCEMHEM2114.1°109.4°
SDMCEMHEM3114.1°109.5°
HEM1CEMHEM2114.1°109.5°
HEM1CEMHEM3114.1°109.5°
HEM2CEMHEM396.4°109.5°
OCMOXT124.0°120.0°
CMOHO119.3°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
SCCCBCCACHBC1125.3°120.0°
SCCCBCCACHBC2125.3°120.0°
SCCCBCHBC1HBC2117.6°119.9°
SCCCBCCACCC56.2°180.0°
SCCCBCCACNC61.1°60.0°
SCCCBCCACHAC177.7°59.9°
CACCBCHBC1HBC2117.5°120.0°
CACCBCSCCHCC179.9°180.0°
CBCCACCCNC117.4°120.0°
CBCCACCCHAC121.4°120.1°
CBCCACCCNI158.8°180.0°
CBCCACCCHCC133.6°60.0°
CBCCACCCHCC275.9°60.0°
CBCCACNCHAC121.4°120.0°
CBCCACNCHNC1180.0°60.0°
CBCCACNCHNC254.8°53.8°
HBC1CBCSCCHCC54.8°60.0°
HBC1CBCCACCC178.5°60.0°
HBC1CBCCACNC64.2°60.1°
HBC1CBCCACHAC57.0°180.0°
HBC2CBCSCCHCC54.7°60.0°
HBC2CBCCACCC69.1°60.0°
HBC2CBCCACNC173.6°179.9°
HBC2CBCCACHAC52.4°60.0°
CACCCNIHCC1125.2°120.0°
CACCCNIHCC2125.3°120.0°
CACCCHCC1HCC2115.9°120.0°
CCCACNCHAC121.6°120.0°
CCCACNCHNC163.0°60.0°
CCCACNCHNC2171.8°173.8°
CACCCNICAI178.9°176.5°
CACCCNIHNI55.8°62.7°
NICCHCC1HCC2115.8°119.9°
NICCCACNC83.7°60.0°
NICCCACHAC37.5°59.9°
CCNICAIHNI125.2°113.8°
CCNICAICBI145.4°120.4°
CCNICAICI91.5°119.6°
CCNICAIHAI26.1°0.4°
HCC1CCCACNC151.0°60.1°
HCC1CCCACHAC87.8°180.0°
HCC1CCNICAI55.9°63.5°
HCC1CCNIHNI69.4°177.3°
HCC2CCCACNC41.6°179.9°
HCC2CCCACHAC162.8°60.0°
HCC2CCNICAI53.6°56.5°
HCC2CCNIHNI178.8°57.3°
CACNCHNC1HNC2125.2°113.8°
HNC1NCCACHAC58.6°180.0°
HNC2NCCACHAC66.7°66.2°
NICAICBICI119.1°120.0°
NICAICBIHAI123.2°119.9°
NICAICIHAI123.2°120.0°
NICAICBICCI55.7°65.3°
NICAICBICDI179.2°54.7°
NICAICBIHBI62.0°174.7°
NICAICIO'F179.0°180.0°
NICAICIHI155.7°60.1°
NICAICIHI253.8°60.0°
HNINICAICBI89.4°125.8°
HNINICAICI33.7°5.8°
HNINICAIHAI151.3°114.2°
CBICAICIHAI119.2°120.0°
CAICBICCICDI124.0°120.0°
CAICBICCIHBI117.0°120.0°
CAICBICDIHBI117.1°119.9°
CAICBICCIHCI1180.0°66.1°
CAICBICCIHCI254.7°173.8°
CAICBICCIHCI354.7°53.8°
CAICBICDICEI179.6°180.0°
CAICBICDIHDI154.3°60.1°
CAICBICDIHDI255.2°60.0°
CBICAICIO'F63.4°60.0°
CBICAICIHI161.9°59.9°
CBICAICIHI2171.4°180.0°
CICAICBICCI63.4°174.7°
CICAICBICDI60.1°65.3°
CICAICBIHBI179.0°54.7°
CAICIO'FHI1125.3°120.0°
CAICIO'FHI2125.3°119.9°
CAICIHI1HI2116.3°120.1°
CAICIO'FCAF179.9°180.0°
HAICAICBICCI178.9°54.6°
HAICAICBICDI57.6°174.6°
HAICAICBIHBI61.3°65.4°
HAICAICIO'F55.9°60.0°
HAICAICIHI1178.8°180.0°
HAICAICIHI269.4°59.9°
CCICBICDIHBI117.9°120.0°
CBICCIHCI1HCI2125.3°120.1°
CBICCIHCI1HCI3125.2°119.9°
CBICCIHCI2HCI3116.9°120.0°
CCICBICDICEI54.6°60.0°
CCICBICDIHDI170.6°179.9°
CCICBICDIHDI2179.9°60.0°
CDICBICCIHCI155.9°53.9°
CDICBICCIHCI2178.7°66.2°
CDICBICCIHCI369.3°173.8°
CBICDICEIHDI1125.2°119.9°
CBICDICEIHDI2125.3°120.0°
CBICDIHDI1HDI2116.4°120.0°
CBICDICEIHEI1180.0°180.0°
CBICDICEIHEI254.7°60.0°
CBICDICEIHEI354.7°60.0°
HBICBICCIHCI163.0°173.9°
HBICBICCIHCI262.3°53.9°
HBICBICCIHCI3171.7°66.1°
HBICBICDICEI63.3°60.0°
HBICBICDIHDI1171.4°59.9°
HBICBICDIHDI262.0°180.0°
HCI1CCIHCI2HCI3117.1°120.0°
CEICDIHDI1HDI2116.5°120.0°
CDICEIHEI1HEI2125.2°120.0°
CDICEIHEI1HEI3125.2°120.0°
CDICEIHEI2HEI3116.4°120.0°
HDI1CDICEIHEI154.7°60.1°
HDI1CDICEIHEI2180.0°60.0°
HDI1CDICEIHEI370.5°179.9°
HDI2CDICEIHEI154.8°60.0°
HDI2CDICEIHEI270.5°180.0°
HDI2CDICEIHEI3180.0°60.0°
HEI1CEIHEI2HEI3116.5°120.0°
O'FCIHI1HI2116.3°120.0°
CIO'FCAFCBF87.3°90.0°
CIO'FCAFCF156.0°150.0°
CIO'FCAFHAF34.1°30.0°
HI1CIO'FCAF54.6°60.0°
HI2CIO'FCAF54.8°60.0°
O'FCAFCBFCF115.8°120.0°
O'FCAFCBFHAF122.2°120.0°
O'FCAFCFHAF122.2°120.0°
O'FCAFCBFCCF67.2°60.0°
O'FCAFCBFHBF1167.5°60.0°
O'FCAFCBFHBF258.1°180.0°
O'FCAFCFOF178.3°0.1°
O'FCAFCFNM5.8°180.0°
CBFCAFCFHAF121.4°120.0°
CAFCBFCCFHBF1125.3°120.0°
CAFCBFCCFHBF2125.3°120.0°
CAFCBFHBF1HBF2117.9°120.0°
CAFCBFCCFCDF102.3°90.0°
CAFCBFCCFCEF76.4°90.3°
CBFCAFCFOF65.3°119.9°
CBFCAFCFNM110.6°60.0°
CFCAFCBFCCF48.6°180.0°
CFCAFCBFHBF176.7°60.0°
CFCAFCBFHBF2173.9°59.9°
CAFCFOFNM175.7°179.9°
CAFCFNMCAM177.7°179.9°
CAFCFNMHNM2.3°0.0°
HAFCAFCBFCCF170.6°60.0°
HAFCAFCBFHBF145.3°180.0°
HAFCAFCBFHBF264.1°60.0°
HAFCAFCFOF56.1°120.1°
HAFCAFCFNM128.0°60.0°
CCFCBFHBF1HBF2117.9°120.0°
CBFCCFCDFCEF178.7°179.8°
CBFCCFCDFCFF179.2°179.9°
CBFCCFCDFHDF0.9°0.0°
CBFCCFCEFCGF178.5°179.8°
CBFCCFCEFHEF1.6°0.2°
HBF1CBFCCFCDF23.0°30.0°
HBF1CBFCCFCEF158.3°149.8°
HBF2CBFCCFCDF132.4°150.0°
HBF2CBFCCFCEF48.9°29.8°
CCFCDFCFFHDF179.9°179.9°
CDFCCFCEFCGF0.2°0.4°
CDFCCFCEFHEF179.7°180.0°
CCFCDFCFFCHF0.9°0.1°
CCFCDFCFFHFF179.1°180.0°
CEFCCFCDFCFF0.5°0.3°
CEFCCFCDFHDF179.5°179.8°
CCFCEFCGFHEF179.9°179.6°
CCFCEFCGFCHF0.5°0.4°
CCFCEFCGFHGF179.5°179.7°
CDFCFFCHFHFF180.0°179.9°
CDFCFFCHFCGF0.6°0.0°
CDFCFFCHFHHF179.4°179.9°
HDFCDFCFFCHF179.1°180.0°
HDFCDFCFFHFF0.9°0.1°
CEFCGFCHFCFF0.1°0.2°
CEFCGFCHFHGF180.0°179.9°
CEFCGFCHFHHF179.9°179.9°
HEFCEFCGFCHF179.4°180.0°
HEFCEFCGFHGF0.5°0.1°
CFFCHFCGFHHF179.9°179.9°
CFFCHFCGFHGF180.0°179.9°
HFFCFFCHFCGF179.4°180.0°
HFFCFFCHFHHF0.6°0.1°
HGFCGFCHFHHF0.1°0.0°
OFCFNMCAM1.8°0.0°
OFCFNMHNM178.2°179.9°
CFNMCAMHNM180.0°179.9°
CFNMCAMCBM79.6°150.0°
CFNMCAMCM161.0°90.0°
CFNMCAMHAM39.9°30.0°
NMCAMCBMCM119.4°120.0°
NMCAMCBMHAM119.6°120.0°
NMCAMCMHAM119.6°120.0°
NMCAMCBMCCM179.7°59.9°
NMCAMCBMHBM154.4°60.1°
NMCAMCBMHBM255.0°180.0°
NMCAMCMO151.3°30.0°
NMCAMCMOXT28.2°150.0°
HNMNMCAMCBM100.4°30.1°
HNMNMCAMCM19.0°89.9°
HNMNMCAMHAM140.1°150.1°
CBMCAMCMHAM119.6°120.0°
CAMCBMCCMHBM1125.3°120.0°
CAMCBMCCMHBM2125.3°120.1°
CAMCBMHBM1HBM2117.5°120.0°
CAMCBMCCMSDM178.3°180.0°
CAMCBMCCMHCM153.0°60.0°
CAMCBMCCMHCM256.5°59.9°
CBMCAMCMO87.9°90.0°
CBMCAMCMOXT92.6°90.0°
CMCAMCBMCCM61.0°180.0°
CMCAMCBMHBM1173.7°59.9°
CMCAMCBMHBM264.4°59.9°
CAMCMOOXT179.5°180.0°
CAMCMOHO180.0°179.9°
HAMCAMCBMCCM60.1°60.0°
HAMCAMCBMHBM165.2°179.9°
HAMCAMCBMHBM2174.6°60.1°
HAMCAMCMO31.6°150.0°
HAMCAMCMOXT147.9°30.0°
CCMCBMHBM1HBM2117.6°120.0°
CBMCCMSDMHCM1125.2°120.0°
CBMCCMSDMHCM2125.2°120.1°
CBMCCMHCM1HCM2116.1°120.0°
CBMCCMSDMODM51.0°66.1°
CBMCCMSDMOEM76.5°66.0°
CBMCCMSDMCEM161.4°180.0°
HBM1CBMCCMSDM56.5°60.0°
HBM1CBMCCMHCM1178.3°180.0°
HBM1CBMCCMHCM268.8°60.0°
HBM2CBMCCMSDM53.0°59.9°
HBM2CBMCCMHCM172.3°60.1°
HBM2CBMCCMHCM2178.2°180.0°
SDMCCMHCM1HCM2116.1°120.0°
CCMSDMODMOEM126.6°126.2°
CCMSDMODMCEM111.1°107.5°
CCMSDMOEMCEM117.5°107.5°
CCMSDMCEMHEM1180.0°180.0°
CCMSDMCEMHEM254.7°60.0°
CCMSDMCEMHEM354.7°60.0°
HCM1CCMSDMODM74.2°173.9°
HCM1CCMSDMOEM158.3°53.9°
HCM1CCMSDMCEM36.2°60.0°
HCM2CCMSDMODM176.3°53.9°
HCM2CCMSDMOEM48.8°173.9°
HCM2CCMSDMCEM73.3°60.0°
ODMSDMOEMCEM117.2°126.2°
ODMSDMCEMHEM165.0°66.1°
ODMSDMCEMHEM260.3°173.9°
ODMSDMCEMHEM3169.7°53.9°
OEMSDMCEMHEM158.1°66.0°
OEMSDMCEMHEM2176.6°53.9°
OEMSDMCEMHEM367.1°173.9°
SDMCEMHEM1HEM2125.3°120.0°
SDMCEMHEM1HEM3125.2°120.0°
SDMCEMHEM2HEM3120.0°120.0°
HEM1CEMHEM2HEM3120.0°120.0°
OXTCMOHO0.5°0.1°

222415

PDB entries from 2024-07-10

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