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NJK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAZCBAdoub1.39Å1.39ÅAromatic
CAZNAYsing1.31Å1.41ÅAromatic
CBACBBsing1.36Å1.39ÅAromatic
FBHCBGsing1.35Å1.43Å
CBICBGdoub1.38Å1.39ÅAromatic
CBICBJsing1.38Å1.39ÅAromatic
NAYCAXdoub1.33Å1.34ÅAromatic
CBBCBCdoub1.41Å1.40ÅAromatic
CBGCBFsing1.39Å1.40ÅAromatic
CBJCBKdoub1.38Å1.39ÅAromatic
CAXCBCsing1.42Å1.39ÅAromatic
CAXCAWsing1.41Å1.39ÅAromatic
CBCNBDsing1.33Å1.34ÅAromatic
CAWCAVdoub1.36Å1.40ÅAromatic
NBDCAUdoub1.32Å1.35ÅAromatic
CAUCAVsing1.40Å1.40ÅAromatic
CAUCASsing1.48Å1.42Å
CBFNBEsing1.40Å1.32Å
CBFCBLdoub1.39Å1.39ÅAromatic
CBKCBLsing1.38Å1.39ÅAromatic
CANCAOsing1.54Å1.52Å
CANCAMsing1.51Å1.56Å
CANCAQsing1.54Å1.50Å
CAOCAPsing1.54Å1.48Å
NBECAMsing1.36Å1.33ÅAromatic
NBECAJsing1.37Å1.32ÅAromatic
NARCASsing1.35Å1.37Å
NARCAPsing1.46Å1.47Å
CASOATdoub1.22Å1.23Å
CAFCAEdoub1.38Å1.39ÅAromatic
CAFCAGsing1.40Å1.38ÅAromatic
CAMNALdoub1.31Å1.32ÅAromatic
CAECADsing1.39Å1.39ÅAromatic
CAJCAGsing1.48Å1.35Å
CAJNAKdoub1.31Å1.34ÅAromatic
CAGNAHdoub1.33Å1.35ÅAromatic
CAACABsing1.53Å1.54Å
NALNAKsing1.29Å1.23ÅAromatic
CAQCAPsing1.54Å1.54Å
CADOACsing1.36Å1.37Å
CADCAIdoub1.39Å1.39ÅAromatic
OACCABsing1.43Å1.41Å
NAHCAIsing1.32Å1.42ÅAromatic
CBIHBIsing1.08Å1.08Å
CBJHBJsing1.08Å1.08Å
CBKHBKsing1.08Å1.08Å
CBLHBLsing1.08Å1.08Å
CAFHAGsing1.08Å1.08Å
CAEHAFsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CABHAEsing1.09Å1.10Å
CABHADsing1.09Å1.10Å
CAAHABsing1.09Å1.10Å
CAAHACsing1.09Å1.10Å
CAAHAAsing1.09Å1.10Å
CANHANsing1.09Å1.10Å
CAQHARsing1.09Å1.10Å
CAQHASsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAOHAPsing1.09Å1.10Å
CAPHAQsing1.09Å1.10Å
NARHBMsing0.97Å1.00Å
CBBHBBsing1.08Å1.08Å
CBAHBAsing1.08Å1.08Å
CAZHAZsing1.08Å1.08Å
CAWHAWsing1.08Å1.08Å
CAVHAVsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBACAZNAY120.4°121.7°
CAZCBACBB118.8°120.0°
CAZCBAHBA120.6°120.0°
CBACAZHAZ119.8°119.2°
CAZNAYCAX120.5°121.4°
NAYCAZHAZ119.8°119.2°
CBACBBCBC119.4°118.2°
CBACBBHBB120.3°120.9°
CBBCBAHBA120.6°119.9°
FBHCBGCBI120.0°120.1°
FBHCBGCBF120.4°120.0°
CBGCBICBJ119.9°120.1°
CBICBGCBF119.6°119.9°
CBGCBIHBI120.1°120.0°
CBICBJCBK120.5°120.1°
CBJCBIHBI120.0°119.9°
CBICBJHBJ119.8°120.0°
NAYCAXCBC119.9°120.0°
NAYCAXCAW120.5°121.1°
CBBCBCCAX121.0°118.7°
CBBCBCNBD119.2°121.1°
CBCCBBHBB120.3°120.8°
CBGCBFNBE119.0°120.1°
CBGCBFCBL120.5°119.8°
CBJCBKCBL119.9°120.1°
CBKCBJHBJ119.8°119.9°
CBJCBKHBK120.0°119.9°
CBCCAXCAW119.6°118.9°
CAXCBCNBD119.9°120.2°
CAXCAWCAV119.4°118.3°
CAXCAWHAW120.3°120.9°
CBCNBDCAU122.9°121.3°
CAWCAVCAU119.3°119.9°
CAVCAWHAW120.3°120.8°
CAWCAVHAV120.4°120.1°
NBDCAUCAV118.9°121.4°
NBDCAUCAS119.7°119.3°
CAVCAUCAS121.4°119.3°
CAUCAVHAV120.4°120.0°
CAUCASNAR115.5°120.0°
CAUCASOAT120.3°120.0°
NBECBFCBL120.5°120.1°
CBFNBECAM125.0°127.1°
CBFNBECAJ129.6°127.1°
CBFCBLCBK119.6°120.0°
CBFCBLHBL120.2°120.0°
CBLCBKHBK120.0°119.9°
CBKCBLHBL120.2°120.1°
CAOCANCAM113.4°113.6°
CAOCANCAQ92.5°87.1°
CANCAOCAP88.1°87.1°
CAOCANHAN111.6°113.6°
CANCAOHAO114.5°113.6°
CANCAOHAP114.5°113.6°
CAMCANCAQ115.1°113.6°
CANCAMNBE124.4°126.3°
CANCAMNAL126.3°126.3°
CAMCANHAN111.1°112.9°
CANCAQCAP86.5°87.1°
CAQCANHAN111.9°113.7°
CANCAQHAR114.9°113.6°
CANCAQHAS114.9°113.7°
CAOCAPNAR112.1°113.6°
CAOCAPCAQ92.5°87.1°
CAPCAOHAO114.5°113.6°
CAPCAOHAP114.5°113.6°
CAOCAPHAQ113.4°113.6°
CAMNBECAJ105.3°105.8°
NBECAMNAL109.3°107.4°
NBECAJCAG130.0°126.5°
NBECAJNAK107.3°106.9°
CASNARCAP123.1°120.0°
NARCASOAT124.1°120.0°
CASNARHBM118.5°120.0°
NARCAPCAQ111.0°113.6°
NARCAPHAQ113.6°112.9°
CAPNARHBM118.5°120.0°
CAECAFCAG121.0°119.1°
CAFCAECAD121.6°118.5°
CAECAFHAG119.5°120.4°
CAFCAEHAF119.2°120.8°
CAFCAGCAJ117.9°119.7°
CAFCAGNAH118.3°120.6°
CAGCAFHAG119.5°120.4°
CAMNALNAK107.9°110.1°
CAECADOAC117.0°120.3°
CAECADCAI117.3°119.3°
CADCAEHAF119.2°120.8°
CAGCAJNAK122.7°126.5°
CAJCAGNAH123.8°119.7°
CAJNAKNAL110.3°109.8°
CAGNAHCAI121.9°121.6°
CAACABOAC102.2°109.4°
CAACABHAE111.3°109.5°
CAACABHAD111.3°109.4°
CABCAAHAB109.5°109.4°
CABCAAHAC109.5°109.5°
CABCAAHAA109.5°109.5°
CAPCAQHAR114.9°113.6°
CAPCAQHAS114.8°113.6°
CAQCAPHAQ112.4°113.6°
OACCADCAI125.7°120.4°
CADOACCAB120.3°116.9°
CADCAINAH119.9°120.9°
CADCAIHAI120.0°119.5°
OACCABHAE111.2°109.5°
OACCABHAD111.3°109.4°
NAHCAIHAI120.1°119.6°
HAECABHAD109.5°109.5°
HABCAAHAC109.4°109.5°
HABCAAHAA109.4°109.5°
HACCAAHAA109.5°109.5°
HARCAQHAS109.5°112.9°
HAOCAOHAP109.5°112.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBACAZNAYHAZ180.0°179.9°
CAZCBACBBHBA180.0°180.0°
CBACAZNAYCAX0.7°0.0°
CAZCBACBBCBC0.3°0.0°
CAZCBACBBHBB179.7°180.0°
NAYCAZCBACBB0.2°0.0°
CAZNAYCAXCBC0.7°0.0°
CAZNAYCAXCAW179.5°180.0°
NAYCAZCBAHBA179.8°180.0°
CBACBBCBCHBB180.0°179.9°
CBACBBCBCCAX0.3°0.0°
CBACBBCBCNBD179.9°180.0°
CBBCBACAZHAZ179.8°180.0°
FBHCBGCBICBF178.8°179.8°
FBHCBGCBICBJ179.3°179.9°
FBHCBGCBFNBE2.3°0.1°
FBHCBGCBFCBL179.6°179.6°
FBHCBGCBIHBI0.7°0.1°
CBGCBICBJHBI180.0°180.0°
CBGCBICBJCBK0.0°0.0°
CBICBGCBFNBE178.9°179.7°
CBICBGCBFCBL0.9°0.6°
CBGCBICBJHBJ180.0°179.9°
CBJCBICBGCBF0.5°0.3°
CBICBJCBKHBJ180.0°179.9°
CBICBJCBKCBL0.3°0.0°
CBICBJCBKHBK179.7°180.0°
NAYCAXCBCCBB0.2°0.0°
NAYCAXCBCCAW179.8°179.9°
NAYCAXCBCNBD179.6°180.0°
NAYCAXCAWCAV179.4°179.9°
CAXNAYCAZHAZ179.3°179.9°
NAYCAXCAWHAW0.7°0.1°
CBBCBCCAXNBD179.8°180.0°
CBBCBCCAXCAW180.0°179.9°
CBBCBCNBDCAU179.6°180.0°
CBCCBBCBAHBA179.7°180.0°
CBGCBFNBECBL178.0°179.7°
CBGCBFCBLCBK0.6°0.6°
CBGCBFNBECAM114.2°90.0°
CBGCBFNBECAJ61.7°90.3°
CBFCBGCBIHBI179.4°179.7°
CBGCBFCBLHBL179.4°179.7°
CBJCBKCBLCBF0.0°0.3°
CBJCBKCBLHBK180.0°180.0°
CBKCBJCBIHBI180.0°180.0°
CBJCBKCBLHBL180.0°180.0°
CBCCAXCAWCAV0.5°0.1°
CAXCBCNBDCAU0.6°0.0°
CAXCBCCBBHBB179.7°180.0°
CBCCAXCAWHAW179.5°179.9°
CAWCAXCBCNBD0.2°0.1°
CAXCAWCAVHAW180.0°179.8°
CAXCAWCAVCAU1.1°0.1°
CAXCAWCAVHAV178.9°179.8°
CBCNBDCAUCAV1.2°0.0°
CBCNBDCAUCAS178.8°179.7°
NBDCBCCBBHBB0.1°0.0°
CAWCAVCAUNBD1.4°0.1°
CAWCAVCAUHAV180.0°179.7°
CAWCAVCAUCAS179.1°179.7°
NBDCAUCAVCAS177.6°179.7°
NBDCAUCASNAR1.1°0.3°
NBDCAUCASOAT177.2°179.7°
NBDCAUCAVHAV178.6°179.7°
CAVCAUCASNAR176.5°180.0°
CAVCAUCASOAT0.4°0.0°
CAUCAVCAWHAW178.9°179.9°
CAUCASNAROAT176.0°180.0°
CAUCASNARCAP174.6°180.0°
CAUCASNARHBM5.4°0.0°
CASCAUCAVHAV1.0°0.0°
NBECBFCBLCBK178.6°179.7°
CBFNBECAMCAN0.1°0.0°
CBFNBECAMCAJ176.7°179.7°
CBFNBECAMNAL177.8°179.9°
CBFNBECAJCAG5.6°0.0°
CBFNBECAJNAK178.0°180.0°
NBECBFCBLHBL1.4°0.0°
CBFCBLCBKHBL180.0°179.7°
CBLCBFNBECAM63.8°90.3°
CBLCBFNBECAJ120.3°89.4°
CBFCBLCBKHBK180.0°179.7°
CBLCBKCBJHBJ179.7°179.9°
CAOCANCAMCAQ104.8°97.4°
CAOCANCAMHAN126.7°131.3°
CAOCANCAQHAN114.6°114.6°
CANCAOCAPHAO116.2°114.5°
CANCAOCAPHAP116.2°114.5°
CAOCANCAMNBE173.7°120.1°
CANCAOCAPNAR109.3°89.1°
CAOCANCAMNAL3.6°60.1°
CAOCANCAQCAP4.6°25.4°
CAOCANCAQHAR120.4°140.0°
CAOCANCAQHAS111.3°89.1°
CANCAOHAOHAP130.1°131.2°
CANCAOCAPHAQ120.4°140.0°
CAMCANCAQHAN128.1°130.9°
CAMCANCAOCAP123.6°139.9°
CANCAMNBENAL177.7°179.9°
CANCAMNBECAJ176.6°179.8°
CANCAMNALNAK177.4°179.8°
CAMCANCAQCAP122.0°140.0°
CAMCANCAQHAR122.2°105.5°
CAMCANCAQHAS6.1°25.4°
CAMCANCAOHAO7.4°25.4°
CAMCANCAOHAP120.2°105.5°
CAQCANCAMNBE81.5°142.5°
CANCAQCAPNAR110.2°89.1°
CAQCANCAMNAL101.2°37.3°
CANCAQCAPHAR115.8°114.6°
CANCAQCAPHAS115.9°114.6°
CANCAQHARHAS131.0°131.3°
CAQCANCAOHAO111.5°89.1°
CAQCANCAOHAP120.9°140.0°
CANCAQCAPHAQ121.3°140.0°
CAOCAPNARCAS85.7°107.5°
CAOCAPNARCAQ101.9°97.5°
CAOCAPNARHAQ130.2°131.2°
CAOCAPCAQHAQ116.6°114.5°
CAPCAOCANHAN110.0°89.2°
CAOCAPCAQHAR120.5°140.0°
CAOCAPCAQHAS111.2°89.2°
CAPCAOHAOHAP130.2°131.3°
CAOCAPNARHBM94.3°72.5°
CAMNBECAJCAG177.9°179.8°
CAMNBECAJNAK1.5°0.3°
NBECAMNALNAK0.2°0.3°
NBECAMCANHAN47.0°11.2°
NBECAJCAGCAF137.9°179.7°
CAJNBECAMNAL1.1°0.4°
NBECAJCAGNAK175.9°180.0°
NBECAJCAGNAH44.7°0.0°
NBECAJNAKNAL1.5°0.0°
CASNARCAPHBM180.0°180.0°
CASNARCAPCAQ172.4°155.0°
CASNARCAPHAQ44.5°23.7°
CAPNARCASOAT1.3°0.0°
NARCAPCAQHAQ128.5°130.9°
NARCAPCAQHAR5.6°25.5°
NARCAPCAQHAS133.9°156.3°
NARCAPCAOHAO134.6°156.4°
NARCAPCAOHAP6.9°25.4°
OATCASNARHBM178.6°180.0°
CAECAFCAGHAG180.0°179.9°
CAFCAECADHAF180.0°179.9°
CAECAFCAGCAJ177.5°180.0°
CAECAFCAGNAH0.0°0.3°
CAFCAECADOAC179.0°180.0°
CAFCAECADCAI0.1°0.2°
CAGCAFCAECAD0.2°0.1°
CAFCAGCAJNAH177.4°179.7°
CAFCAGCAJNAK46.2°0.3°
CAFCAGNAHCAI0.2°0.3°
CAGCAFCAEHAF179.8°180.0°
CAMNALNAKCAJ0.8°0.2°
NALCAMCANHAN130.3°168.6°
CAECADOACCAI179.0°179.8°
CAECADOACCAB157.4°180.0°
CAECADCAINAH0.1°0.3°
CADCAECAFHAG179.8°180.0°
CAECADCAIHAI179.9°179.7°
CAGCAJNAKNAL178.2°180.0°
CAJCAGNAHCAI177.2°180.0°
CAJCAGCAFHAG2.5°0.1°
NAKCAJCAGNAH131.2°180.0°
CAGNAHCAICAD0.3°0.0°
NAHCAGCAFHAG180.0°179.8°
CAGNAHCAIHAI179.7°180.0°
CAACABOACCAD160.7°180.0°
CAACABOACHAE118.8°120.1°
CAACABOACHAD118.8°119.9°
CAACABHAEHAD123.4°120.0°
CABCAAHABHAC120.0°120.0°
CABCAAHABHAA120.0°119.9°
CABCAAHACHAA120.0°120.0°
CAPCAQCANHAN110.0°89.1°
CAPCAQHARHAS130.9°131.2°
CAQCAPCAOHAO111.5°89.1°
CAQCAPCAOHAP120.8°140.0°
CAQCAPNARHBM7.6°25.0°
OACCADCAINAH179.1°179.9°
OACCADCAEHAF1.0°0.1°
OACCADCAIHAI0.9°0.1°
CADOACCABHAE41.9°59.9°
CADOACCABHAD80.5°60.1°
CAICADOACCAB23.6°0.2°
CADCAINAHHAI180.0°180.0°
CAICADCAEHAF179.9°179.7°
OACCABHAEHAD123.4°120.0°
OACCABCAAHAB180.0°180.0°
OACCABCAAHAC60.0°60.0°
OACCABCAAHAA60.0°60.1°
HBICBICBJHBJ0.0°0.1°
HBJCBJCBKHBK0.3°0.0°
HBKCBKCBLHBL0.0°0.0°
HAGCAFCAEHAF0.2°0.1°
HAECABCAAHAB61.2°60.0°
HAECABCAAHAC58.8°180.0°
HAECABCAAHAA178.8°60.0°
HADCABCAAHAB61.1°60.1°
HADCABCAAHAC178.8°59.9°
HADCABCAAHAA58.8°180.0°
HABCAAHACHAA119.9°120.1°
HANCANCAQHAR5.9°25.4°
HANCANCAQHAS134.2°156.3°
HANCANCAOHAO133.8°156.3°
HANCANCAOHAP6.2°25.4°
HARCAQCAPHAQ122.8°105.4°
HASCAQCAPHAQ5.5°25.4°
HAOCAOCAPHAQ4.3°25.5°
HAPCAOCAPHAQ123.4°105.5°
HAQCAPNARHBM135.5°156.2°
HBBCBBCBAHBA0.3°0.0°
HBACBACAZHAZ0.2°0.0°
HAWCAWCAVHAV1.1°0.4°

225399

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