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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAMCANdoub1.38Å1.37ÅAromatic
CAMCALsing1.38Å1.43ÅAromatic
CANCAIsing1.38Å1.39ÅAromatic
CALCAKdoub1.38Å1.37ÅAromatic
CAICAHsing1.51Å1.54Å
CAICAJdoub1.38Å1.43ÅAromatic
CAHNAGsing1.47Å1.29Å
CAKCAJsing1.38Å1.40ÅAromatic
NAGCAFsing1.47Å1.47Å
NAGCAOsing1.47Å1.43Å
CAFCAEsing1.53Å1.51Å
CABOACsing1.43Å1.39Å
CABOADsing1.43Å1.41Å
CABCAAsing1.53Å1.53Å
CAOCAPsing1.53Å1.54Å
CAEOADsing1.43Å1.44Å
CAECAQsing1.53Å1.40Å
CAPCAQsing1.53Å1.47Å
CAQNARsing1.47Å1.49Å
NARCASsing1.35Å1.40Å
CASOATdoub1.22Å1.19Å
CASNAUsing1.35Å1.41Å
NAUCAVsing1.40Å1.42Å
CAVCBAdoub1.39Å1.38ÅAromatic
CAVCAWsing1.39Å1.37ÅAromatic
CBACAZsing1.38Å1.40ÅAromatic
CAWCAXdoub1.38Å1.40ÅAromatic
CAZCBBsing1.51Å1.50Å
CAZCAYdoub1.38Å1.37ÅAromatic
CAXCAYsing1.38Å1.40ÅAromatic
FBECBBsing1.40Å1.34Å
FBCCBBsing1.40Å1.34Å
CBBFBDsing1.40Å1.35Å
CBAHBA1sing1.08Å1.08Å
CAYHAY1sing1.08Å1.08Å
CAXHAX1sing1.08Å1.08Å
CAWHAW1sing1.08Å1.08Å
NAUHAU1sing0.97Å1.00Å
NARHAR1sing0.97Å1.00Å
CAQHAQ1sing1.09Å1.10Å
CAEHAE1sing1.09Å1.10Å
CAFHAF1sing1.09Å1.10Å
CAFHAF2sing1.09Å1.10Å
CABHAB1sing1.09Å1.10Å
OACHAC1sing0.97Å0.95Å
CAAHAA3sing1.09Å1.10Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAHHAH1sing1.09Å1.10Å
CAHHAH2sing1.09Å1.10Å
CAJHAJ1sing1.08Å1.08Å
CAKHAK1sing1.08Å1.08Å
CALHAL1sing1.08Å1.08Å
CAMHAM1sing1.08Å1.08Å
CANHAN1sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANCAMCAL119.7°120.0°
CAMCANCAI121.5°120.0°
CANCAMHAM1120.1°120.0°
CAMCANHAN1119.3°120.0°
CAMCALCAK120.1°120.0°
CAMCALHAL1120.0°120.0°
CALCAMHAM1120.2°120.0°
CANCAICAH120.1°120.0°
CANCAICAJ118.4°120.0°
CAICANHAN1119.3°120.0°
CALCAKCAJ120.1°119.9°
CALCAKHAK1119.9°120.0°
CAKCALHAL1119.9°120.0°
CAHCAICAJ121.5°120.0°
CAICAHNAG115.3°109.5°
CAICAHHAH1108.0°109.5°
CAICAHHAH2108.0°109.5°
CAICAJCAK120.2°120.0°
CAICAJHAJ1119.9°120.0°
CAHNAGCAF113.6°111.0°
CAHNAGCAO113.3°110.9°
NAGCAHHAH1108.0°109.4°
NAGCAHHAH2108.0°109.5°
CAKCAJHAJ1119.9°120.0°
CAJCAKHAK1119.9°120.0°
CAFNAGCAO115.4°111.1°
NAGCAFCAE115.0°109.5°
NAGCAFHAF1108.1°109.4°
NAGCAFHAF2108.1°109.5°
NAGCAOCAP110.5°109.5°
NAGCAOHAO1109.2°109.5°
NAGCAOHAO2109.2°109.5°
CAFCAEOAD116.4°109.5°
CAFCAECAQ123.9°109.3°
CAFCAEHAE197.9°109.6°
CAECAFHAF1108.1°109.5°
CAECAFHAF2108.1°109.5°
OACCABOAD109.6°109.4°
OACCABCAA111.8°109.5°
OACCABHAB1110.0°109.5°
CABOACHAC1109.5°114.0°
OADCABCAA107.4°109.5°
CABOADCAE127.6°114.0°
OADCABHAB1109.8°109.5°
CAACABHAB1108.1°109.5°
CABCAAHAA3109.5°109.5°
CABCAAHAA1109.5°109.5°
CABCAAHAA2109.4°109.5°
CAOCAPCAQ109.8°109.3°
CAOCAPHAP2109.4°109.5°
CAOCAPHAP1109.4°109.6°
CAPCAOHAO1109.2°109.4°
CAPCAOHAO2109.2°109.5°
OADCAECAQ113.8°109.5°
OADCAEHAE198.2°109.5°
CAECAQCAP111.6°109.2°
CAECAQNAR116.9°109.5°
CAECAQHAQ1107.9°109.5°
CAQCAEHAE198.5°109.5°
CAPCAQNAR106.3°109.5°
CAPCAQHAQ1106.9°109.5°
CAQCAPHAP2109.4°109.5°
CAQCAPHAP1109.4°109.5°
CAQNARCAS115.5°120.0°
CAQNARHAR1122.2°120.0°
NARCAQHAQ1106.7°109.5°
NARCASOAT124.1°120.1°
NARCASNAU110.8°120.0°
CASNARHAR1122.3°120.0°
OATCASNAU125.1°120.0°
CASNAUCAV123.2°120.0°
CASNAUHAU1118.4°120.0°
NAUCAVCBA122.3°120.0°
NAUCAVCAW116.7°120.1°
CAVNAUHAU1118.4°120.0°
CBACAVCAW121.0°119.9°
CAVCBACAZ119.1°119.9°
CAVCBAHBA1120.5°120.1°
CAVCAWCAX119.3°119.9°
CAVCAWHAW1120.4°120.1°
CBACAZCBB119.0°119.9°
CBACAZCAY121.5°120.1°
CAZCBAHBA1120.5°120.0°
CAWCAXCAY120.9°120.1°
CAWCAXHAX1119.5°120.0°
CAXCAWHAW1120.3°120.0°
CBBCAZCAY119.5°120.0°
CAZCBBFBE112.9°109.5°
CAZCBBFBC110.8°109.5°
CAZCBBFBD112.7°109.5°
CAZCAYCAX118.2°120.2°
CAZCAYHAY1120.9°119.9°
CAXCAYHAY1120.9°120.0°
CAYCAXHAX1119.6°119.9°
FBECBBFBC107.1°109.4°
FBECBBFBD106.1°109.5°
FBCCBBFBD106.8°109.5°
HAF1CAFHAF2109.5°109.5°
HAA3CAAHAA1109.5°109.4°
HAA3CAAHAA2109.5°109.5°
HAA1CAAHAA2109.5°109.4°
HAP2CAPHAP1109.4°109.5°
HAO1CAOHAO2109.5°109.5°
HAH1CAHHAH2109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANCAMCALHAM1180.0°179.4°
CAMCANCAIHAN1180.0°179.4°
CANCAMCALCAK0.2°0.3°
CAMCANCAICAH178.3°179.7°
CAMCANCAICAJ0.2°0.6°
CANCAMCALHAL1179.8°179.7°
CALCAMCANCAI0.3°0.6°
CAMCALCAKHAL1180.0°180.0°
CAMCALCAKCAJ0.8°0.0°
CAMCALCAKHAK1179.2°180.0°
CALCAMCANHAN1179.7°180.0°
CANCAICAHCAJ178.4°179.7°
CANCAICAHNAG75.2°90.3°
CANCAICAJCAK0.5°0.3°
CANCAICAHHAH1163.9°149.7°
CANCAICAHHAH245.7°29.8°
CANCAICAJHAJ1179.5°179.7°
CAICANCAMHAM1179.7°180.0°
CALCAKCAJCAI0.9°0.0°
CALCAKCAJHAK1180.0°180.0°
CALCAKCAJHAJ1179.0°180.0°
CAKCALCAMHAM1179.8°179.7°
CAICAHNAGHAH1120.8°120.0°
CAICAHNAGHAH2120.9°120.1°
CAHCAICAJCAK178.9°180.0°
CAICAHNAGCAF174.9°170.0°
CAICAHNAGCAO50.8°65.9°
CAICAHHAH1HAH2117.4°120.0°
CAHCAICAJHAJ11.1°0.0°
CAHCAICANHAN11.7°0.3°
CAJCAICAHNAG103.2°89.9°
CAICAJCAKHAJ1180.0°180.0°
CAJCAICAHHAH117.6°30.0°
CAJCAICAHHAH2135.9°150.0°
CAICAJCAKHAK1179.1°180.0°
CAJCAICANHAN1179.9°180.0°
CAHNAGCAFCAO133.4°124.0°
CAHNAGCAFCAE158.3°174.2°
CAHNAGCAOCAP176.4°174.2°
CAHNAGCAFHAF137.5°54.2°
CAHNAGCAFHAF280.9°65.8°
CAHNAGCAOHAO156.2°65.9°
CAHNAGCAOHAO263.5°54.2°
NAGCAHHAH1HAH2117.4°120.0°
CAJCAKCALHAL1179.2°180.0°
NAGCAFCAEHAF1120.8°120.0°
NAGCAFCAEHAF2120.8°120.0°
CAFNAGCAOCAP50.1°61.8°
NAGCAFCAEOAD164.9°179.1°
NAGCAFCAECAQ13.9°59.2°
NAGCAFCAEHAE191.9°60.8°
NAGCAFHAF1HAF2117.5°119.9°
CAFNAGCAOHAO1170.3°58.2°
CAFNAGCAOHAO270.0°178.2°
CAFNAGCAHHAH164.3°50.0°
CAFNAGCAHHAH254.0°69.9°
CAONAGCAFCAE25.0°61.8°
NAGCAOCAPHAO1120.2°120.0°
NAGCAOCAPHAO2120.2°120.0°
NAGCAOCAPCAQ64.5°59.2°
CAONAGCAFHAF195.9°178.2°
CAONAGCAFHAF2145.7°58.2°
NAGCAOCAPHAP255.6°179.1°
NAGCAOCAPHAP1175.5°60.8°
NAGCAOHAO1HAO2119.5°120.0°
CAONAGCAHHAH170.0°174.1°
CAONAGCAHHAH2171.7°54.2°
CAFCAEOADCAB89.3°90.2°
CAFCAEOADCAQ153.9°119.8°
CAFCAEOADHAE1103.0°120.2°
CAFCAECAQHAE1105.4°120.1°
CAFCAECAQCAP28.4°57.7°
CAFCAECAQNAR151.0°177.6°
CAFCAECAQHAQ188.8°62.3°
CAECAFHAF1HAF2117.5°120.0°
OACCABOADCAA121.7°120.0°
OACCABOADHAB1121.0°120.0°
OACCABCAAHAB1121.3°120.0°
OACCABOADCAE176.7°65.0°
OACCABCAAHAA3180.0°60.1°
OACCABCAAHAA160.0°180.0°
OACCABCAAHAA260.0°60.0°
OADCABCAAHAB1118.4°120.0°
CABOADCAECAQ116.8°150.0°
CABOADCAEHAE113.7°30.0°
OADCABOACHAC1180.0°60.0°
OADCABCAAHAA359.7°180.0°
OADCABCAAHAA160.3°60.0°
OADCABCAAHAA2179.7°59.9°
CAACABOADCAE61.6°175.0°
CAACABOACHAC160.9°59.9°
CABCAAHAA3HAA1120.0°120.0°
CABCAAHAA3HAA2120.0°120.1°
CABCAAHAA1HAA2120.0°120.0°
CAOCAPCAQCAE51.5°57.7°
CAOCAPCAQHAP2120.1°119.9°
CAOCAPCAQHAP1120.1°120.0°
CAOCAPCAQNAR180.0°177.6°
CAOCAPCAQHAQ166.3°62.3°
CAOCAPHAP2HAP1119.9°120.2°
CAPCAOHAO1HAO2119.5°120.0°
OADCAECAQHAE1102.9°120.0°
OADCAECAQCAP180.0°177.6°
OADCAECAQNAR57.4°62.5°
OADCAECAQHAQ162.8°57.6°
OADCAECAFHAF144.1°60.9°
OADCAECAFHAF274.3°59.1°
CAEOADCABHAB155.7°55.0°
CAECAQCAPNAR128.5°119.9°
CAECAQCAPHAQ1117.8°120.0°
CAECAQNARHAQ1120.8°120.1°
CAECAQNARCAS143.3°155.1°
CAECAQNARHAR136.8°24.9°
CAQCAECAFHAF1106.9°179.2°
CAQCAECAFHAF2134.7°60.8°
CAECAQCAPHAP268.6°177.6°
CAECAQCAPHAP1171.5°62.4°
CAPCAQNARHAQ1113.9°120.1°
CAPCAQNARCAS91.4°85.1°
CAPCAQNARHAR188.6°94.9°
CAPCAQCAEHAE177.1°62.4°
CAQCAPHAP2HAP1119.9°120.1°
CAQCAPCAOHAO1175.4°60.8°
CAQCAPCAOHAO255.7°179.2°
CAQNARCASHAR1180.0°180.0°
CAQNARCASOAT10.3°0.0°
CAQNARCASNAU171.2°180.0°
NARCAQCAEHAE145.5°57.5°
NARCAQCAPHAP259.9°62.5°
NARCAQCAPHAP160.0°57.5°
NARCASOATNAU178.3°180.0°
NARCASNAUCAV175.9°174.7°
NARCASNAUHAU14.1°5.4°
CASNARCAQHAQ122.5°35.0°
OATCASNAUCAV2.6°5.3°
OATCASNAUHAU1177.4°174.6°
OATCASNARHAR1169.7°180.0°
CASNAUCAVHAU1180.0°179.9°
CASNAUCAVCBA19.0°33.3°
CASNAUCAVCAW162.6°146.7°
NAUCASNARHAR18.8°0.0°
NAUCAVCBACAW178.3°180.0°
NAUCAVCBACAZ179.7°180.0°
NAUCAVCAWCAX179.2°179.8°
NAUCAVCBAHBA10.3°0.0°
NAUCAVCAWHAW10.8°0.0°
CAVCBACAZHBA1180.0°180.0°
CBACAVCAWCAX0.8°0.2°
CAVCBACAZCBB179.5°180.0°
CAVCBACAZCAY1.2°0.3°
CBACAVCAWHAW1179.2°180.0°
CBACAVNAUHAU1161.0°146.8°
CAWCAVCBACAZ1.4°0.1°
CAVCAWCAXHAW1180.0°179.8°
CAVCAWCAXCAY0.0°0.2°
CAWCAVCBAHBA1178.6°180.0°
CAVCAWCAXHAX1180.0°179.8°
CAWCAVNAUHAU117.4°33.2°
CBACAZCBBCAY179.3°179.7°
CBACAZCAYCAX0.5°0.3°
CBACAZCBBFBE49.8°59.7°
CBACAZCBBFBC70.4°179.7°
CBACAZCBBFBD170.0°60.3°
CBACAZCAYHAY1179.5°179.7°
CAWCAXCAYCAZ0.1°0.0°
CAWCAXCAYHAX1180.0°180.0°
CAWCAXCAYHAY1179.9°179.9°
CBBCAZCAYCAX179.8°180.0°
CAZCBBFBEFBC122.3°120.0°
CAZCBBFBEFBD123.9°120.0°
CAZCBBFBCFBD123.1°120.0°
CBBCAZCBAHBA10.5°0.0°
CBBCAZCAYHAY10.2°0.0°
CAZCAYCAXHAY1180.0°179.9°
CAYCAZCBBFBE130.9°120.0°
CAYCAZCBBFBC108.9°0.0°
CAYCAZCBBFBD10.7°120.0°
CAYCAZCBAHBA1178.8°179.7°
CAZCAYCAXHAX1179.9°180.0°
CAYCAXCAWHAW1179.9°180.0°
FBECBBFBCFBD113.3°120.0°
HAY1CAYCAXHAX10.1°0.1°
HAX1CAXCAWHAW10.0°0.0°
HAR1NARCAQHAQ1157.6°145.0°
HAQ1CAQCAEHAE1165.7°177.7°
HAQ1CAQCAPHAP2173.6°57.6°
HAQ1CAQCAPHAP153.7°177.6°
HAE1CAECAFHAF1147.4°59.2°
HAE1CAECAFHAF228.9°179.2°
HAB1CABOACHAC159.2°180.0°
HAB1CABCAAHAA358.7°59.9°
HAB1CABCAAHAA1178.8°60.0°
HAB1CABCAAHAA261.3°180.0°
HAA3CAAHAA1HAA2120.0°120.0°
HAP2CAPCAOHAO164.6°59.1°
HAP2CAPCAOHAO2175.8°60.9°
HAP1CAPCAOHAO155.3°179.2°
HAP1CAPCAOHAO264.4°59.2°
HAJ1CAJCAKHAK11.0°0.0°
HAK1CAKCALHAL10.8°0.0°
HAL1CALCAMHAM10.2°0.3°
HAM1CAMCANHAN10.3°0.6°

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