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WC1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAEPADdoub1.48Å1.59Å
OAGPADsing1.61Å1.50Å
PADOAFsing1.61Å1.50Å
PADCACsing1.82Å1.87Å
OAKPAHdoub1.48Å1.41Å
CABCACsing1.53Å1.52Å
CABCAAsing1.51Å1.56Å
CACPAHsing1.82Å1.84Å
CBBCBCdoub1.38Å1.39ÅAromatic
CBBCBAsing1.38Å1.39ÅAromatic
CAXCAVsing1.53Å1.53Å
CBCCBDsing1.38Å1.39ÅAromatic
CBACAZdoub1.38Å1.38ÅAromatic
PAHOAJsing1.61Å1.44Å
PAHOAIsing1.61Å1.65Å
CBDCAYdoub1.39Å1.39ÅAromatic
CAZCAYsing1.39Å1.42ÅAromatic
CAPCALdoub1.39Å1.34ÅAromatic
CAPCAQsing1.39Å1.40ÅAromatic
CAYCAQsing1.48Å1.42Å
CAACALsing1.47Å1.38ÅAromatic
CAACAOdoub1.34Å1.34ÅAromatic
CALCAMsing1.41Å1.36ÅAromatic
CAQCARdoub1.40Å1.40ÅAromatic
CAVCATsing1.53Å1.47Å
CAVCAWsing1.53Å1.56Å
CAOCATsing1.51Å1.55Å
CAONANsing1.37Å1.33ÅAromatic
CATCAUsing1.53Å1.57Å
CAMNANsing1.38Å1.34ÅAromatic
CAMCASdoub1.39Å1.34ÅAromatic
CARCASsing1.37Å1.38ÅAromatic
OAFH1sing0.97Å0.95Å
OAGH2sing0.97Å0.95Å
CACH3sing1.09Å1.10Å
OAIH4sing0.97Å0.95Å
OAJH5sing0.97Å0.95Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CATH8sing1.09Å1.10Å
CAUH9sing1.09Å1.10Å
CAUH10sing1.09Å1.10Å
CAUH11sing1.09Å1.10Å
CAVH12sing1.09Å1.10Å
CAXH13sing1.09Å1.10Å
CAXH14sing1.09Å1.10Å
CAXH15sing1.09Å1.10Å
CAWH16sing1.09Å1.10Å
CAWH17sing1.09Å1.10Å
CAWH18sing1.09Å1.10Å
NANH19sing0.97Å1.00Å
CASH20sing1.08Å1.08Å
CARH21sing1.08Å1.08Å
CAPH22sing1.08Å1.08Å
CAZH23sing1.08Å1.08Å
CBAH24sing1.08Å1.08Å
CBBH25sing1.08Å1.08Å
CBCH26sing1.08Å1.08Å
CBDH27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAEPADOAG108.7°109.5°
OAEPADOAF112.5°109.5°
OAEPADCAC102.6°109.5°
OAGPADOAF120.9°109.5°
OAGPADCAC104.9°109.5°
PADOAGH2109.5°114.0°
OAFPADCAC105.2°109.4°
PADOAFH1109.5°113.9°
PADCACCAB110.3°109.5°
PADCACPAH110.6°109.5°
PADCACH3107.1°109.5°
OAKPAHCAC103.1°109.4°
OAKPAHOAJ126.0°109.5°
OAKPAHOAI112.9°109.5°
CACCABCAA109.9°109.4°
CABCACPAH110.3°109.4°
CABCACH3111.2°109.5°
CACCABH6109.4°109.4°
CACCABH7109.4°109.5°
CABCAACAL126.8°126.5°
CABCAACAO126.5°126.6°
CAACABH6109.4°109.4°
CAACABH7109.4°109.5°
CACPAHOAJ108.9°109.5°
CACPAHOAI102.1°109.5°
PAHCACH3107.3°109.5°
CBCCBBCBA119.0°120.2°
CBBCBCCBD122.9°120.2°
CBCCBBH25120.5°119.9°
CBBCBCH26118.6°119.9°
CBBCBACAZ118.3°120.1°
CBBCBAH24120.9°119.9°
CBACBBH25120.5°119.9°
CAXCAVCAT107.7°109.5°
CAXCAVCAW111.8°109.5°
CAXCAVH12110.1°109.5°
CAVCAXH13109.5°109.5°
CAVCAXH14109.5°109.4°
CAVCAXH15109.5°109.5°
CBCCBDCAY118.5°119.9°
CBDCBCH26118.5°119.9°
CBCCBDH27120.7°120.1°
CBACAZCAY123.5°119.9°
CBACAZH23118.3°120.1°
CAZCBAH24120.9°119.9°
OAJPAHOAI101.5°109.5°
PAHOAJH5109.5°114.0°
PAHOAIH4109.5°114.0°
CBDCAYCAZ117.7°119.7°
CBDCAYCAQ124.1°120.1°
CAYCBDH27120.8°120.0°
CAZCAYCAQ118.0°120.1°
CAYCAZH23118.3°120.0°
CALCAPCAQ123.0°119.4°
CAPCALCAA134.5°134.0°
CAPCALCAM117.8°120.0°
CALCAPH22118.5°120.3°
CAPCAQCAY122.1°120.0°
CAPCAQCAR116.9°120.1°
CAQCAPH22118.5°120.3°
CAYCAQCAR120.8°119.9°
CALCAACAO106.7°107.0°
CAACALCAM107.6°106.0°
CAACAOCAT130.7°125.0°
CAACAONAN108.9°109.9°
CALCAMNAN107.3°107.1°
CALCAMCAS122.7°119.6°
CAQCARCAS119.4°120.7°
CAQCARH21120.3°119.6°
CATCAVCAW106.4°109.4°
CAVCATCAO111.7°109.4°
CAVCATCAU108.9°109.4°
CAVCATH8109.9°109.5°
CATCAVH12111.0°109.5°
CAWCAVH12109.8°109.5°
CAVCAWH16109.5°109.5°
CAVCAWH17109.4°109.5°
CAVCAWH18109.5°109.4°
CATCAONAN120.3°125.1°
CAOCATCAU108.7°109.5°
CAOCATH8108.9°109.5°
CAONANCAM109.4°110.0°
CAONANH19125.3°125.0°
CAUCATH8108.7°109.5°
CATCAUH9109.5°109.5°
CATCAUH10109.5°109.5°
CATCAUH11109.4°109.4°
NANCAMCAS130.0°133.3°
CAMNANH19125.2°125.0°
CAMCASCAR120.1°120.2°
CAMCASH20119.9°119.9°
CARCASH20120.0°119.9°
CASCARH21120.3°119.7°
H6CABH7109.4°109.5°
H9CAUH10109.5°109.4°
H9CAUH11109.5°109.4°
H10CAUH11109.5°109.5°
H13CAXH14109.5°109.5°
H13CAXH15109.5°109.5°
H14CAXH15109.4°109.5°
H16CAWH17109.4°109.5°
H16CAWH18109.5°109.5°
H17CAWH18109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAEPADOAGOAF132.4°120.0°
OAEPADOAGCAC109.2°120.0°
OAEPADOAFCAC111.0°120.0°
OAEPADCACCAB54.1°47.2°
OAEPADCACPAH68.2°72.7°
OAEPADOAFH10.0°55.8°
OAEPADOAGH20.0°180.0°
OAEPADCACH3175.2°167.3°
OAGPADOAFCAC118.3°120.0°
OAGPADCACCAB59.5°167.2°
OAGPADCACPAH178.2°47.3°
OAGPADOAFH1130.8°64.2°
OAGPADCACH361.6°72.7°
OAFPADCACCAB172.0°72.7°
OAFPADCACPAH49.7°167.3°
OAFPADOAGH2132.3°60.0°
OAFPADCACH366.9°47.3°
PADCACPAHOAK57.3°75.0°
PADCACCABPAH122.5°120.0°
PADCACCABH3118.7°120.0°
PADCACCABCAA132.6°66.5°
PADCACPAHH3116.5°120.0°
PADCACPAHOAJ78.6°45.0°
PADCACPAHOAI174.6°165.0°
CACPADOAFH1111.0°175.8°
CACPADOAGH2109.3°60.0°
PADCACCABH612.6°173.6°
PADCACCABH7107.3°53.6°
OAKPAHCACCAB65.1°165.1°
OAKPAHCACOAJ135.8°120.0°
OAKPAHCACOAI117.3°120.0°
OAKPAHOAJOAI129.7°120.0°
OAKPAHCACH3173.7°45.0°
OAKPAHOAIH40.0°59.9°
OAKPAHOAJH50.0°180.0°
CACCABCAAH6120.1°119.9°
CACCABCAAH7120.1°120.0°
CABCACPAHH3121.2°120.0°
CABCACPAHOAJ159.1°75.0°
CABCACPAHOAI52.3°45.0°
CACCABCAACAL59.6°95.1°
CACCABCAACAO119.4°85.2°
CACCABH6H7119.8°120.1°
CAACABCACPAH104.9°173.6°
CABCAACALCAP2.4°0.1°
CABCAACALCAO179.2°179.7°
CABCAACALCAM179.0°179.9°
CABCAACAOCAT3.3°0.0°
CABCAACAONAN179.2°180.0°
CAACABCACH314.0°53.6°
CAACABH6H7119.8°120.0°
CACPAHOAJOAI107.3°120.0°
CACPAHOAIH4110.0°179.9°
CACPAHOAJH5123.0°60.0°
PAHCACCABH6135.0°53.7°
PAHCACCABH715.2°66.4°
CBCCBBCBAH25180.0°179.7°
CBBCBCCBDH26180.0°179.8°
CBCCBBCBACAZ0.1°0.0°
CBBCBCCBDCAY4.2°0.5°
CBCCBBCBAH24179.9°180.0°
CBBCBCCBDH27175.8°180.0°
CBACBBCBCCBD2.1°0.2°
CBBCBACAZH24180.0°179.9°
CBBCBACAZCAY0.2°0.0°
CBBCBACAZH23179.8°180.0°
CBACBBCBCH26177.9°179.9°
CAXCAVCATCAW120.0°120.0°
CAXCAVCATH12120.6°120.0°
CAXCAVCAWH12122.6°120.1°
CAXCAVCATCAO66.8°60.0°
CAXCAVCATCAU173.2°180.0°
CAXCAVCATH854.3°60.0°
CAVCAXH13H14120.0°119.9°
CAVCAXH13H15120.0°120.0°
CAVCAXH14H15120.0°120.0°
CAXCAVCAWH16180.0°60.0°
CAXCAVCAWH1760.0°180.0°
CAXCAVCAWH1860.0°60.0°
CBCCBDCAYH27180.0°179.4°
CBCCBDCAYCAZ3.9°0.6°
CBCCBDCAYCAQ179.3°179.8°
CBDCBCCBBH25177.9°180.0°
CBACAZCAYCBD1.8°0.3°
CBACAZCAYH23180.0°180.0°
CBACAZCAYCAQ177.5°180.0°
CAZCBACBBH25179.9°179.7°
OAJPAHCACH337.9°165.0°
OAJPAHOAIH4137.5°60.1°
OAIPAHCACH369.0°75.0°
OAIPAHOAJH5129.7°60.0°
CBDCAYCAZCAQ175.7°179.7°
CBDCAYCAQCAP137.7°0.3°
CBDCAYCAQCAR47.2°178.6°
CBDCAYCAZH23178.1°179.7°
CAYCBDCBCH26175.8°179.6°
CAZCAYCAQCAP46.9°180.0°
CAZCAYCAQCAR128.2°1.1°
CAYCAZCBAH24179.8°179.9°
CAZCAYCBDH27176.1°180.0°
CALCAPCAQH22180.0°179.1°
CALCAPCAQCAY175.5°180.0°
CAPCALCAACAM176.6°179.8°
CAPCALCAACAO178.4°179.8°
CALCAPCAQCAR0.2°1.1°
CAPCALCAMNAN179.8°179.7°
CAPCALCAMCAS3.1°0.1°
CAPCAQCAYCAR175.1°178.9°
CAQCAPCALCAA178.3°179.0°
CAQCAPCALCAM1.9°0.8°
CAPCAQCARCAS1.2°0.8°
CAPCAQCARH21178.8°179.3°
CAYCAQCARCAS176.6°179.7°
CAYCAQCARH213.4°0.4°
CAYCAQCAPH224.5°0.9°
CAQCAYCAZH232.4°0.1°
CAQCAYCBDH270.7°0.3°
CALCAACAOCAT175.9°179.7°
CALCAACAONAN0.0°0.2°
CAACALCAMNAN2.9°0.4°
CAACALCAMCAS179.6°179.8°
CALCAACABH660.5°145.0°
CALCAACABH7179.7°24.9°
CAACALCAPH221.7°0.1°
CAOCAACALCAM1.8°0.4°
CAACAOCATCAV116.3°125.8°
CAACAOCATNAN175.5°179.9°
CAACAOCATCAU123.6°114.2°
CAACAONANCAM1.9°0.0°
CAOCAACABH6120.5°34.7°
CAOCAACABH70.7°154.8°
CAACAOCATH85.3°5.9°
CAACAONANH19178.1°179.9°
CALCAMNANCAO2.9°0.3°
CALCAMNANCAS176.4°179.8°
CALCAMCASCAR2.1°0.2°
CALCAMNANH19177.1°179.8°
CALCAMCASH20177.9°179.7°
CAMCALCAPH22178.1°179.9°
CAQCARCASCAM0.2°0.1°
CAQCARCASH21180.0°180.0°
CAQCARCASH20179.8°180.0°
CARCAQCAPH22179.8°179.8°
CATCAVCAWH12120.2°120.0°
CAVCATCAOCAU120.2°119.9°
CAVCATCAOH8121.6°120.0°
CAVCATCAONAN68.2°54.3°
CAVCATCAUH8119.7°120.0°
CAVCATCAUH9180.0°53.1°
CAVCATCAUH1060.0°67.0°
CAVCATCAUH1160.0°173.0°
CATCAVCAXH13180.0°60.0°
CATCAVCAXH1460.0°179.9°
CATCAVCAXH1560.0°60.0°
CATCAVCAWH1662.7°60.0°
CATCAVCAWH17177.3°60.0°
CATCAVCAWH1857.3°180.0°
CAWCAVCATCAO173.2°180.0°
CAWCAVCATCAU53.2°60.0°
CAWCAVCATH865.7°60.0°
CAWCAVCAXH1363.5°59.9°
CAWCAVCAXH14176.5°60.0°
CAWCAVCAXH1556.5°180.0°
CAVCAWH16H17120.0°120.0°
CAVCAWH16H18120.0°120.0°
CAVCAWH17H18120.0°119.9°
CAOCATCAUH8118.4°120.1°
CATCAONANCAM178.2°180.0°
CAOCATCAUH958.1°66.8°
CAOCATCAUH1061.9°173.1°
CAOCATCAUH11178.1°53.1°
CAOCATCAVH1253.8°60.0°
CATCAONANH191.8°0.1°
NANCAOCATCAU51.9°65.7°
CAONANCAMH19180.0°179.9°
CAONANCAMCAS179.4°179.9°
NANCAOCATH8170.2°174.2°
CATCAUH9H10120.0°120.1°
CATCAUH9H11120.0°120.0°
CATCAUH10H11120.0°120.0°
CAUCATCAVH1266.2°60.0°
NANCAMCASCAR178.0°180.0°
NANCAMCASH202.0°0.1°
CAMCASCARH20180.0°179.9°
CASCAMNANH190.6°0.0°
CAMCASCARH21179.8°179.9°
H3CACCABH6106.1°66.3°
H3CACCABH7134.1°173.6°
H8CATCAUH960.3°173.1°
H8CATCAUH10179.7°53.0°
H8CATCAUH1159.7°67.0°
H8CATCAVH12174.8°180.0°
H9CAUH10H11120.0°119.9°
H12CAVCAXH1358.9°180.0°
H12CAVCAXH1461.1°60.1°
H12CAVCAXH15178.9°60.0°
H12CAVCAWH1657.4°179.9°
H12CAVCAWH1762.5°59.9°
H12CAVCAWH18177.4°60.0°
H13CAXH14H15120.0°120.1°
H16CAWH17H18120.0°120.0°
H20CASCARH210.2°0.0°
H23CAZCBAH240.2°0.1°
H24CBACBBH250.1°0.2°
H25CBBCBCH262.1°0.2°
H26CBCCBDH274.2°0.2°

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