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GW8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6N1doub1.33Å1.39ÅAromatic
N1C2sing1.32Å1.34ÅAromatic
C2NBEsing1.38Å1.34Å
C2N3doub1.32Å1.34ÅAromatic
C4N3sing1.33Å1.36ÅAromatic
C5C4doub1.40Å1.40ÅAromatic
C4NBQsing1.39Å1.35Å
C6C5sing1.38Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
NBPCAAsing1.47Å1.48Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
NBQCABsing1.46Å1.48Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CACSBSsing1.81Å1.79Å
CACHACsing1.09Å1.10Å
CACHACAsing1.09Å1.10Å
CACHACBsing1.09Å1.10Å
CBFOADdoub1.22Å1.25Å
CBGOAEdoub1.22Å1.23Å
SBSOAFdoub1.42Å1.55Å
SBSOAGdoub1.42Å1.53Å
CAJCAHdoub1.38Å1.40ÅAromatic
CAHCAKsing1.38Å1.41ÅAromatic
CAHHAHsing1.08Å1.08Å
CAJCBKsing1.39Å1.41ÅAromatic
CAJHAJsing1.08Å1.08Å
CAKCBLdoub1.40Å1.41ÅAromatic
CAKHAKsing1.08Å1.08Å
CAOCAMdoub1.38Å1.40ÅAromatic
CAMCBHsing1.38Å1.39ÅAromatic
CAMHAMsing1.08Å1.08Å
CAPCANsing1.38Å1.40ÅAromatic
CBHCANdoub1.38Å1.41ÅAromatic
CANHANsing1.08Å1.08Å
CAOCBJsing1.39Å1.40ÅAromatic
CAOHAOsing1.08Å1.08Å
CBJCAPdoub1.39Å1.41ÅAromatic
CAPHAPsing1.08Å1.08Å
CASCAQdoub1.38Å1.39ÅAromatic
CAQCBIsing1.39Å1.40ÅAromatic
CAQHAQsing1.08Å1.08Å
CATCARsing1.38Å1.38ÅAromatic
CBICARdoub1.39Å1.41ÅAromatic
CARHARsing1.08Å1.08Å
CASCBMsing1.39Å1.40ÅAromatic
CASHASsing1.08Å1.08Å
CBMCATdoub1.39Å1.40ÅAromatic
CATHATsing1.08Å1.08Å
CBKCAUdoub1.39Å1.41ÅAromatic
CAUCBLsing1.40Å1.40ÅAromatic
CAUHAUsing1.08Å1.08Å
CAXCAVsing1.53Å1.47Å
CAVNBPsing1.47Å1.49Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
CAYCAWsing1.53Å1.54Å
CAWNBPsing1.47Å1.47Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
NBRCAXsing1.47Å1.50Å
CAXHAXsing1.09Å1.10Å
CAXHAXAsing1.09Å1.10Å
NBRCAYsing1.47Å1.51Å
CAYHAYsing1.09Å1.10Å
CAYHAYAsing1.09Å1.10Å
CBHCAZsing1.51Å1.42Å
CAZSBSsing1.81Å1.85Å
CAZHAZsing1.09Å1.10Å
CAZHAZAsing1.09Å1.10Å
CBINBCsing1.40Å1.34Å
NBCCBFsing1.35Å1.37Å
NBCHNBCsing0.97Å1.00Å
CBFNBDsing1.35Å1.37Å
NBDCBKsing1.40Å1.35Å
NBDHNBDsing0.97Å1.00Å
NBECBJsing1.40Å1.34Å
NBEHNBEsing0.97Å1.00Å
CBLCBGsing1.48Å1.41Å
CBGNBRsing1.35Å1.37Å
NBQCBMsing1.40Å1.35Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6N1C2120.2°121.0°
N1C6C5119.7°119.3°
N1C6H6120.1°120.4°
N1C2NBE116.3°119.2°
N1C2N3119.6°121.6°
NBEC2N3124.2°119.2°
C2NBECBJ125.1°120.0°
C2NBEHNBE117.5°120.0°
C2N3C4123.8°120.6°
N3C4C5118.0°119.0°
N3C4NBQ119.6°120.5°
C5C4NBQ122.4°120.5°
C4C5C6118.7°118.5°
C4C5H5120.7°120.7°
C4NBQCAB118.4°120.0°
C4NBQCBM122.4°120.0°
C6C5H5120.6°120.8°
C5C6H6120.1°120.4°
NBPCAAHAA109.5°109.5°
NBPCAAHAAA109.5°109.5°
NBPCAAHAAB109.5°109.5°
CAANBPCAV110.6°111.0°
CAANBPCAW108.1°111.0°
HAACAAHAAA109.5°109.5°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.4°109.4°
NBQCABHAB109.5°109.5°
NBQCABHABA109.5°109.5°
NBQCABHABB109.5°109.5°
CABNBQCBM119.0°120.0°
HABCABHABA109.5°109.5°
HABCABHABB109.5°109.4°
HABACABHABB109.5°109.5°
SBSCACHAC109.5°109.5°
SBSCACHACA109.5°109.5°
SBSCACHACB109.5°109.5°
CACSBSOAF109.6°108.6°
CACSBSOAG107.7°108.6°
CACSBSCAZ110.0°101.9°
HACCACHACA109.5°109.4°
HACCACHACB109.5°109.5°
HACACACHACB109.4°109.4°
OADCBFNBC122.3°119.9°
OADCBFNBD123.7°120.0°
OAECBGCBL116.2°120.0°
OAECBGNBR120.6°120.0°
OAFSBSOAG110.4°119.2°
OAFSBSCAZ112.6°108.6°
OAGSBSCAZ106.3°108.6°
CAJCAHCAK118.7°120.2°
CAJCAHHAH120.7°119.9°
CAHCAJCBK121.2°120.2°
CAHCAJHAJ119.4°119.9°
CAKCAHHAH120.6°119.9°
CAHCAKCBL121.3°120.0°
CAHCAKHAK119.3°120.0°
CBKCAJHAJ119.4°119.9°
CAJCBKCAU118.9°120.0°
CAJCBKNBD117.6°120.0°
CBLCAKHAK119.3°120.1°
CAKCBLCAU118.8°119.8°
CAKCBLCBG120.4°120.1°
CAOCAMCBH120.2°120.0°
CAOCAMHAM119.9°120.0°
CAMCAOCBJ121.8°119.9°
CAMCAOHAO119.1°120.0°
CBHCAMHAM119.9°120.0°
CAMCBHCAN118.3°120.2°
CAMCBHCAZ120.4°119.9°
CAPCANCBH121.9°120.0°
CAPCANHAN119.0°119.9°
CANCAPCBJ119.5°119.9°
CANCAPHAP120.3°120.1°
CBHCANHAN119.1°120.0°
CANCBHCAZ121.2°119.9°
CBJCAOHAO119.1°120.0°
CAOCBJCAP118.3°119.8°
CAOCBJNBE115.4°120.1°
CBJCAPHAP120.3°120.0°
CAPCBJNBE126.2°120.1°
CASCAQCBI119.4°120.0°
CASCAQHAQ120.3°120.0°
CAQCASCBM121.1°120.0°
CAQCASHAS119.5°120.0°
CBICAQHAQ120.3°120.0°
CAQCBICAR119.0°120.0°
CAQCBINBC124.0°120.0°
CATCARCBI121.6°120.0°
CATCARHAR119.2°120.0°
CARCATCBM119.3°120.0°
CARCATHAT120.4°120.0°
CBICARHAR119.2°119.9°
CARCBINBC116.9°120.0°
CBMCASHAS119.5°120.0°
CASCBMCAT119.5°120.0°
CASCBMNBQ119.7°120.0°
CBMCATHAT120.4°120.0°
CATCBMNBQ120.8°120.0°
CBKCAUCBL121.1°119.7°
CBKCAUHAU119.5°120.1°
CAUCBKNBD123.3°120.0°
CBLCAUHAU119.5°120.1°
CAUCBLCBG120.7°120.1°
CAXCAVNBP108.0°109.3°
CAXCAVHAV109.8°109.5°
CAXCAVHAVA109.8°109.5°
CAVCAXNBR108.0°108.5°
CAVCAXHAX109.9°109.6°
CAVCAXHAXA109.8°109.6°
NBPCAVHAV109.8°109.5°
NBPCAVHAVA109.8°109.5°
CAVNBPCAW116.7°111.3°
HAVCAVHAVA109.5°109.5°
CAYCAWNBP110.9°109.4°
CAYCAWHAW109.1°109.5°
CAYCAWHAWA109.1°109.5°
CAWCAYNBR111.9°108.5°
CAWCAYHAY108.8°109.6°
CAWCAYHAYA108.8°109.6°
NBPCAWHAW109.1°109.5°
NBPCAWHAWA109.1°109.5°
HAWCAWHAWA109.5°109.4°
NBRCAXHAX109.8°109.6°
NBRCAXHAXA109.8°109.8°
CAXNBRCAY116.2°118.2°
CAXNBRCBG118.5°120.9°
HAXCAXHAXA109.5°109.7°
NBRCAYHAY108.9°109.6°
NBRCAYHAYA108.9°109.8°
CAYNBRCBG125.2°120.9°
HAYCAYHAYA109.5°109.6°
CBHCAZSBS118.3°109.5°
CBHCAZHAZ107.2°109.5°
CBHCAZHAZA107.2°109.5°
SBSCAZHAZ107.2°109.5°
SBSCAZHAZA107.2°109.5°
HAZCAZHAZA109.5°109.5°
CBINBCCBF120.2°120.0°
CBINBCHNBC119.9°120.0°
CBFNBCHNBC119.9°119.9°
NBCCBFNBD113.9°120.0°
CBFNBDCBK125.1°120.0°
CBFNBDHNBD117.4°120.0°
CBKNBDHNBD117.4°120.0°
CBJNBEHNBE117.5°120.0°
CBLCBGNBR123.1°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6N1C2NBE179.5°180.0°
C6N1C2N30.2°0.1°
N1C6C5C41.5°0.1°
N1C6C5H6180.0°180.0°
N1C6C5H5178.5°180.0°
N1C2NBEN3179.8°179.9°
N1C2N3C41.2°0.0°
C2N1C6C51.1°0.1°
C2N1C6H6178.9°179.9°
N1C2NBECBJ171.0°3.2°
N1C2NBEHNBE9.0°176.9°
NBEC2N3C4178.5°180.0°
C2NBECBJCAO161.1°144.3°
C2NBECBJCAP20.6°35.6°
C2NBECBJHNBE180.0°180.0°
C2N3C4C50.8°0.0°
C2N3C4NBQ179.3°180.0°
N3C2NBECBJ9.3°176.9°
N3C2NBEHNBE170.7°3.1°
N3C4C5NBQ179.8°180.0°
N3C4C5C60.6°0.0°
N3C4C5H5179.5°180.0°
N3C4NBQCAB8.5°170.9°
N3C4NBQCBM167.3°9.1°
C4C5C6H5180.0°180.0°
C4C5C6H6178.5°180.0°
C5C4NBQCAB171.4°9.0°
C5C4NBQCBM12.9°170.9°
NBQC4C5C6179.3°179.9°
NBQC4C5H50.7°0.0°
C4NBQCABCBM175.9°179.9°
C4NBQCABHAB180.0°90.0°
C4NBQCABHABA60.0°150.0°
C4NBQCABHABB60.0°29.9°
C4NBQCBMCAS111.0°114.4°
C4NBQCBMCAT69.1°65.5°
H5C5C6H61.5°0.0°
NBPCAAHAAHAAA120.0°120.0°
NBPCAAHAAHAAB120.0°120.1°
NBPCAAHAAAHAAB120.0°120.0°
CAANBPCAVCAX173.0°172.7°
CAANBPCAVCAW124.0°124.2°
CAANBPCAVHAV67.3°52.8°
CAANBPCAVHAVA53.2°67.3°
CAANBPCAWCAY115.3°172.8°
CAANBPCAWHAW4.9°67.2°
CAANBPCAWHAWA124.5°52.7°
HAACAAHAAAHAAB120.0°119.9°
HAACAANBPCAV180.0°60.0°
HAACAANBPCAW51.2°64.3°
HAAACAANBPCAV60.0°180.0°
HAAACAANBPCAW171.2°55.7°
HAABCAANBPCAV60.0°60.0°
HAABCAANBPCAW68.8°175.7°
NBQCABHABHABA120.0°120.0°
NBQCABHABHABB120.0°120.0°
NBQCABHABAHABB120.0°120.1°
CABNBQCBMCAS73.3°65.7°
CABNBQCBMCAT106.7°114.4°
HABCABHABAHABB120.0°119.9°
HABCABNBQCBM4.1°90.1°
HABACABNBQCBM124.1°29.9°
HABBCABNBQCBM115.9°150.0°
SBSCACHACHACA120.0°120.0°
SBSCACHACHACB120.0°120.1°
SBSCACHACAHACB120.0°120.0°
CACSBSOAFOAG118.5°125.0°
CACSBSOAFCAZ122.9°110.0°
CACSBSOAGCAZ117.9°110.0°
CACSBSCAZCBH99.6°180.0°
CACSBSCAZHAZ139.2°60.0°
CACSBSCAZHAZA21.7°60.0°
HACCACHACAHACB120.0°120.0°
HACCACSBSOAF180.0°174.5°
HACCACSBSOAG59.9°54.4°
HACCACSBSCAZ55.6°60.0°
HACACACSBSOAF60.0°65.5°
HACACACSBSOAG179.9°65.5°
HACACACSBSCAZ64.4°180.0°
HACBCACSBSOAF60.0°54.4°
HACBCACSBSOAG60.1°174.5°
HACBCACSBSCAZ175.6°60.0°
OADCBFNBCCBI6.8°4.9°
OADCBFNBCNBD177.6°180.0°
OADCBFNBCHNBC173.2°175.1°
OADCBFNBDCBK5.0°5.1°
OADCBFNBDHNBD175.0°174.8°
OAECBGCBLCAK120.3°40.7°
OAECBGCBLCAU55.5°138.7°
OAECBGNBRCAX0.1°4.9°
OAECBGNBRCAY177.4°175.1°
OAECBGCBLNBR178.3°180.0°
OAFSBSOAGCAZ122.5°125.0°
OAFSBSCAZCBH23.1°65.5°
OAFSBSCAZHAZ98.2°54.5°
OAFSBSCAZHAZA144.3°174.5°
OAGSBSCAZCBH144.1°65.5°
OAGSBSCAZHAZ22.8°174.5°
OAGSBSCAZHAZA94.6°54.5°
CAJCAHCAKHAH180.0°179.6°
CAHCAJCBKHAJ180.0°180.0°
CAJCAHCAKCBL0.3°0.4°
CAJCAHCAKHAK179.7°179.7°
CAHCAJCBKCAU2.9°0.0°
CAHCAJCBKNBD177.6°180.0°
CAKCAHCAJCBK2.3°0.0°
CAKCAHCAJHAJ177.8°180.0°
CAHCAKCBLHAK180.0°179.9°
CAHCAKCBLCAU2.0°0.6°
CAHCAKCBLCBG177.8°180.0°
HAHCAHCAJCBK177.7°179.7°
HAHCAHCAJHAJ2.3°0.4°
HAHCAHCAKCBL179.7°180.0°
HAHCAHCAKHAK0.3°0.1°
CAJCBKCAUNBD174.4°180.0°
CAJCBKCAUCBL1.1°0.3°
CAJCBKCAUHAU178.9°179.7°
CAJCBKNBDCBF147.1°148.6°
CAJCBKNBDHNBD32.9°31.5°
HAJCAJCBKCAU177.1°180.0°
HAJCAJCBKNBD2.4°0.0°
CAKCBLCAUCBK1.3°0.6°
CAKCBLCAUCBG175.8°179.4°
CAKCBLCAUHAU178.7°180.0°
CAKCBLCBGNBR58.0°139.3°
HAKCAKCBLCAU177.9°179.4°
HAKCAKCBLCBG2.1°0.1°
CAOCAMCBHHAM180.0°179.7°
CAOCAMCBHCAN1.2°0.3°
CAMCAOCBJHAO180.0°179.9°
CAMCAOCBJCAP0.6°0.1°
CAOCAMCBHCAZ178.1°179.7°
CAMCAOCBJNBE179.1°180.0°
CAMCBHCANCAP2.0°0.5°
CAMCBHCANCAZ176.9°180.0°
CAMCBHCANHAN177.9°180.0°
CBHCAMCAOCBJ0.6°0.0°
CBHCAMCAOHAO179.4°180.0°
CAMCBHCAZSBS79.5°90.0°
CAMCBHCAZHAZ159.3°150.0°
CAMCBHCAZHAZA41.8°30.0°
HAMCAMCBHCAN178.8°180.0°
HAMCAMCAOCBJ179.4°179.7°
HAMCAMCAOHAO0.6°0.3°
HAMCAMCBHCAZ1.9°0.0°
CAPCANCBHHAN180.0°179.5°
CANCAPCBJCAO1.4°0.2°
CANCAPCBJHAP180.0°180.0°
CAPCANCBHCAZ178.9°179.4°
CANCAPCBJNBE179.7°179.7°
CBHCANCAPCBJ2.2°0.5°
CBHCANCAPHAP177.8°179.4°
CANCBHCAZSBS103.7°90.0°
CANCBHCAZHAZ17.5°30.0°
CANCBHCAZHAZA135.0°150.0°
HANCANCAPCBJ177.8°180.0°
HANCANCAPHAP2.2°0.0°
HANCANCBHCAZ1.1°0.0°
CAOCBJCAPNBE178.3°179.9°
CAOCBJCAPHAP178.6°179.8°
CAOCBJNBEHNBE18.9°35.7°
HAOCAOCBJCAP179.4°180.0°
HAOCAOCBJNBE0.9°0.1°
CAPCBJNBEHNBE159.4°144.5°
HAPCAPCBJNBE0.3°0.4°
CASCAQCBIHAQ180.0°179.6°
CASCAQCBICAR2.1°0.3°
CAQCASCBMHAS180.0°180.0°
CAQCASCBMCAT0.0°0.0°
CASCAQCBINBC179.2°179.7°
CAQCASCBMNBQ179.9°179.9°
CAQCBICARCAT0.8°0.6°
CAQCBICARNBC177.3°180.0°
CAQCBICARHAR179.2°179.9°
CBICAQCASCBM1.7°0.0°
CBICAQCASHAS178.3°180.0°
CAQCBINBCCBF50.4°144.7°
CAQCBINBCHNBC129.6°35.3°
HAQCAQCBICAR177.9°180.0°
HAQCAQCASCBM178.3°179.7°
HAQCAQCASHAS1.7°0.4°
HAQCAQCBINBC0.8°0.1°
CATCARCBIHAR180.0°179.5°
CARCATCBMCAS1.2°0.2°
CARCATCBMHAT180.0°180.0°
CATCARCBINBC178.1°179.4°
CARCATCBMNBQ178.8°179.7°
CBICARCATCBM0.9°0.5°
CBICARCATHAT179.1°179.5°
CARCBINBCCBF126.8°35.3°
CARCBINBCHNBC53.2°144.7°
HARCARCATCBM179.1°180.0°
HARCARCATHAT0.9°0.0°
HARCARCBINBC1.9°0.0°
CASCBMCATNBQ179.9°179.9°
CASCBMCATHAT178.8°179.8°
HASCASCBMCAT179.9°179.9°
HASCASCBMNBQ0.1°0.0°
HATCATCBMNBQ1.2°0.3°
CBKCAUCBLHAU180.0°179.4°
CAUCBKNBDCBF38.5°31.5°
CAUCBKNBDHNBD141.5°148.5°
CBKCAUCBLCBG177.1°180.0°
CBLCAUCBKNBD175.5°179.7°
CAUCBLCBGNBR126.2°41.3°
HAUCAUCBKNBD4.5°0.3°
HAUCAUCBLCBG2.9°0.7°
CAXCAVNBPHAV119.8°120.0°
CAXCAVNBPHAVA119.8°120.0°
CAXCAVHAVHAVA120.7°120.0°
CAXCAVNBPCAW48.9°63.1°
CAVCAXNBRHAX119.8°119.7°
CAVCAXNBRHAXA119.7°119.8°
CAVCAXHAXHAXA120.7°120.4°
CAVCAXNBRCAY27.5°51.2°
CAVCAXNBRCBG150.2°128.8°
NBPCAVHAVHAVA120.7°120.1°
CAVNBPCAWCAY9.9°63.1°
CAVNBPCAWHAW130.1°56.9°
CAVNBPCAWHAWA110.3°176.9°
NBPCAVCAXNBR67.3°53.9°
NBPCAVCAXHAX173.0°173.5°
NBPCAVCAXHAXA52.5°66.1°
HAVCAVNBPCAW168.7°177.0°
HAVCAVCAXNBR173.0°173.9°
HAVCAVCAXHAX53.2°66.5°
HAVCAVCAXHAXA67.3°53.9°
HAVACAVNBPCAW70.8°56.9°
HAVACAVCAXNBR52.5°66.1°
HAVACAVCAXHAX67.3°53.5°
HAVACAVCAXHAXA172.3°173.9°
CAYCAWNBPHAW120.2°120.0°
CAYCAWNBPHAWA120.2°120.0°
CAYCAWHAWHAWA119.3°120.1°
CAWCAYNBRCAX30.3°51.2°
CAWCAYNBRHAY120.4°119.7°
CAWCAYNBRHAYA120.3°119.8°
CAWCAYHAYHAYA118.9°120.4°
CAWCAYNBRCBG152.2°128.8°
NBPCAWHAWHAWA119.4°120.0°
NBPCAWCAYNBR49.2°53.8°
NBPCAWCAYHAY169.6°65.9°
NBPCAWCAYHAYA71.2°173.8°
HAWCAWCAYNBR169.4°66.1°
HAWCAWCAYHAY70.2°174.1°
HAWCAWCAYHAYA49.0°53.8°
HAWACAWCAYNBR71.0°173.9°
HAWACAWCAYHAY49.3°54.1°
HAWACAWCAYHAYA168.6°66.2°
NBRCAXHAXHAXA120.7°120.6°
CAXNBRCAYCBG177.5°180.0°
CAXNBRCAYHAY150.6°68.5°
CAXNBRCAYHAYA90.1°171.0°
CAXNBRCBGCBL178.1°175.1°
HAXCAXNBRCAY147.3°170.9°
HAXCAXNBRCBG30.4°9.1°
HAXACAXNBRCAY92.2°68.6°
HAXACAXNBRCBG90.1°111.4°
NBRCAYHAYHAYA118.9°120.6°
CAYNBRCBGCBL4.4°4.9°
HAYCAYNBRCBG31.8°111.5°
HAYACAYNBRCBG87.5°9.0°
CBHCAZSBSHAZ121.3°120.0°
CBHCAZSBSHAZA121.3°120.0°
CBHCAZHAZHAZA116.0°120.0°
SBSCAZHAZHAZA116.0°120.0°
CBINBCCBFHNBC180.0°179.9°
CBINBCCBFNBD175.6°175.1°
NBCCBFNBDCBK177.4°174.8°
NBCCBFNBDHNBD2.6°5.2°
HNBCNBCCBFNBD4.5°4.8°
CBFNBDCBKHNBD180.0°180.0°

223790

PDB entries from 2024-08-14

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