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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OHCZsing1.36Å1.36Å
CZCE1doub1.39Å1.42ÅAromatic
CZCE2sing1.39Å1.41ÅAromatic
CE1CD1sing1.38Å1.39ÅAromatic
CE2CD2doub1.38Å1.40ÅAromatic
CD1CGdoub1.38Å1.42ÅAromatic
CD2CGsing1.38Å1.42ÅAromatic
CGCBsing1.51Å1.54Å
CAGCAFsing1.51Å1.49Å
CAGNBCsing1.46Å1.49Å
CAACAFdoub1.38Å1.39ÅAromatic
CAACABsing1.38Å1.39ÅAromatic
CAFCAEsing1.38Å1.39ÅAromatic
CABCACdoub1.38Å1.35ÅAromatic
OBDCBEdoub1.22Å1.23Å
NBCCBEsing1.35Å1.33Å
CAECADdoub1.38Å1.39ÅAromatic
CBCAsing1.53Å1.53Å
CBENBNsing1.35Å1.35Å
CACCADsing1.38Å1.36ÅAromatic
OBACBKdoub1.21Å1.24Å
CBLCBKsing1.50Å1.40Å
CBLCBMsing1.53Å1.54Å
CBKNsing1.34Å1.37Å
NCAsing1.48Å1.44Å
NCBOsing1.46Å1.50Å
NBNCBOsing1.46Å1.43Å
NBNCBMsing1.46Å1.47Å
CACsing1.50Å1.43Å
CBOCBIsing1.53Å1.48Å
CARCASdoub1.39Å1.40ÅAromatic
CARCAQsing1.36Å1.42ÅAromatic
CASCATsing1.36Å1.40ÅAromatic
COdoub1.21Å1.26Å
CNBHsing1.33Å1.35Å
CAQCAPdoub1.41Å1.35ÅAromatic
CBINBHsing1.46Å1.46Å
CATCAUdoub1.41Å1.38ÅAromatic
NBHCAZsing1.46Å1.51Å
CAPCAUsing1.42Å1.41ÅAromatic
CAPCAYsing1.41Å1.35ÅAromatic
CAUCAVsing1.41Å1.36ÅAromatic
CAZCAYsing1.51Å1.58Å
CAYCAXdoub1.36Å1.37ÅAromatic
CAVCAWdoub1.36Å1.40ÅAromatic
CAXCAWsing1.39Å1.38ÅAromatic
CAXH1sing1.08Å1.08Å
CAWH2sing1.08Å1.08Å
CAVH3sing1.08Å1.08Å
CATH4sing1.08Å1.08Å
CASH5sing1.08Å1.08Å
CARH6sing1.08Å1.08Å
CAQH7sing1.08Å1.08Å
CAZH8sing1.09Å1.10Å
CAZH9sing1.09Å1.10Å
CBIH10sing1.09Å1.10Å
CBIH11sing1.09Å1.10Å
CBOH12sing1.09Å1.10Å
CAH13sing1.09Å1.10Å
CBH14sing1.09Å1.10Å
CBH15sing1.09Å1.10Å
CD1H16sing1.08Å1.08Å
CE1H17sing1.08Å1.08Å
OHH18sing0.97Å0.95Å
CE2H19sing1.08Å1.08Å
CD2H20sing1.08Å1.08Å
CBLH21sing1.09Å1.10Å
CBLH22sing1.09Å1.10Å
CBMH23sing1.09Å1.10Å
CBMH24sing1.09Å1.10Å
NBCH25sing0.97Å1.00Å
CAGH26sing1.09Å1.10Å
CAGH27sing1.09Å1.10Å
CAAH28sing1.08Å1.08Å
CABH29sing1.08Å1.08Å
CACH30sing1.08Å1.08Å
CADH31sing1.08Å1.08Å
CAEH32sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OHCZCE1119.5°120.1°
OHCZCE2118.0°120.0°
CZOHH18109.5°114.0°
CE1CZCE2122.4°119.9°
CZCE1CD1119.3°119.9°
CZCE1H17120.3°120.0°
CZCE2CD2118.2°119.9°
CZCE2H19120.9°120.0°
CE1CD1CG118.7°120.1°
CE1CD1H16120.6°119.9°
CD1CE1H17120.3°120.1°
CE2CD2CG119.5°120.1°
CD2CE2H19120.9°120.0°
CE2CD2H20120.3°120.0°
CD1CGCD2121.9°120.1°
CD1CGCB118.8°119.9°
CGCD1H16120.7°120.0°
CD2CGCB119.3°120.0°
CGCD2H20120.3°119.9°
CGCBCA113.8°109.5°
CGCBH14108.4°109.5°
CGCBH15108.4°109.5°
CAFCAGNBC111.0°109.5°
CAGCAFCAA119.7°120.0°
CAGCAFCAE120.4°120.0°
CAFCAGH26109.1°109.5°
CAFCAGH27109.1°109.5°
CAGNBCCBE120.9°120.1°
CAGNBCH25119.6°120.0°
NBCCAGH26109.1°109.5°
NBCCAGH27109.1°109.4°
CAFCAACAB120.0°120.0°
CAACAFCAE119.5°120.0°
CAFCAAH28120.0°120.0°
CAACABCAC119.5°120.0°
CABCAAH28120.0°120.0°
CAACABH29120.2°120.0°
CAFCAECAD118.3°120.0°
CAFCAEH32120.9°120.0°
CABCACCAD121.1°120.0°
CACCABH29120.2°120.0°
CABCACH30119.5°120.0°
OBDCBENBC122.0°119.9°
OBDCBENBN119.8°120.0°
NBCCBENBN118.2°120.0°
CBENBCH25119.5°120.0°
CAECADCAC121.3°120.0°
CAECADH31119.4°120.1°
CADCAEH32120.9°120.0°
CBCAN114.3°109.6°
CBCAC104.5°109.6°
CBCAH13108.8°109.6°
CACBH14108.4°109.4°
CACBH15108.4°109.4°
CBENBNCBO117.4°120.1°
CBENBNCBM123.1°119.5°
CADCACH30119.4°120.1°
CACCADH31119.3°119.9°
OBACBKCBL119.1°118.5°
OBACBKN116.6°118.5°
CBKCBLCBM110.7°109.0°
CBLCBKN124.3°123.0°
CBKCBLH21109.1°109.6°
CBKCBLH22109.2°109.6°
CBLCBMNBN102.3°107.5°
CBMCBLH21109.2°109.5°
CBMCBLH22109.1°109.5°
CBLCBMH23111.3°109.8°
CBLCBMH24111.2°109.8°
CBKNCA121.2°119.3°
CBKNCBO122.5°123.8°
CANCBO116.1°116.9°
NCAC108.9°108.8°
NCAH13110.0°109.6°
NCBONBN105.5°111.0°
NCBOCBI108.9°108.4°
NCBOH12108.5°109.3°
CBONBNCBM118.2°120.5°
NBNCBOCBI115.5°109.5°
NBNCBOH12109.4°109.3°
NBNCBMH23111.2°110.0°
NBNCBMH24111.2°109.9°
CACO117.8°118.5°
CACNBH122.8°123.1°
CCAH13110.1°109.6°
CBOCBINBH109.4°110.6°
CBOCBIH10109.5°109.2°
CBOCBIH11109.5°109.2°
CBICBOH12108.7°109.3°
CASCARCAQ119.5°121.0°
CARCASCAT117.4°121.1°
CARCASH5121.3°119.5°
CASCARH6120.3°119.6°
CARCAQCAP123.0°119.6°
CAQCARH6120.2°119.5°
CARCAQH7118.5°120.2°
CASCATCAU122.1°119.6°
CASCATH4119.0°120.2°
CATCASH5121.3°119.5°
OCNBH118.7°118.4°
CNBHCBI124.5°124.5°
CNBHCAZ118.3°117.8°
CAQCAPCAU117.3°119.4°
CAQCAPCAY121.9°121.3°
CAPCAQH7118.5°120.2°
CBINBHCAZ116.6°117.8°
NBHCBIH10109.5°109.3°
NBHCBIH11109.5°109.2°
CATCAUCAP120.8°119.4°
CATCAUCAV120.3°121.3°
CAUCATH4119.0°120.2°
NBHCAZCAY112.9°109.5°
NBHCAZH8108.6°109.5°
NBHCAZH9108.6°109.5°
CAUCAPCAY120.8°119.3°
CAPCAUCAV118.9°119.4°
CAPCAYCAZ122.8°120.2°
CAPCAYCAX120.9°119.6°
CAUCAVCAW119.4°119.6°
CAUCAVH3120.3°120.2°
CAZCAYCAX116.1°120.2°
CAYCAZH8108.6°109.5°
CAYCAZH9108.6°109.5°
CAYCAXCAW119.0°121.0°
CAYCAXH1120.5°119.5°
CAVCAWCAX120.7°121.0°
CAVCAWH2119.7°119.5°
CAWCAVH3120.3°120.2°
CAWCAXH1120.5°119.5°
CAXCAWH2119.6°119.5°
H8CAZH9109.5°109.5°
H10CBIH11109.5°109.2°
H14CBH15109.5°109.5°
H21CBLH22109.5°109.6°
H23CBMH24109.5°109.7°
H26CAGH27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OHCZCE1CE2178.8°180.0°
OHCZCE1CD1178.8°180.0°
OHCZCE2CD2177.9°179.7°
OHCZCE1H171.3°0.0°
OHCZCE2H192.1°0.0°
CZCE1CD1H17180.0°180.0°
CE1CZCE2CD20.9°0.3°
CZCE1CD1CG0.4°0.1°
CZCE1CD1H16179.7°180.0°
CE1CZOHH18180.0°90.0°
CE1CZCE2H19179.1°180.0°
CE2CZCE1CD10.1°0.1°
CZCE2CD2H19180.0°179.7°
CZCE2CD2CG1.3°0.6°
CE2CZCE1H17179.9°180.0°
CE2CZOHH181.1°90.0°
CZCE2CD2H20178.7°179.9°
CE1CD1CGH16180.0°179.9°
CE1CD1CGCD20.0°0.3°
CE1CD1CGCB179.8°180.0°
CE2CD2CGCD10.9°0.6°
CE2CD2CGH20180.0°179.5°
CE2CD2CGCB179.3°179.7°
CD1CGCD2CB179.8°179.7°
CD1CGCBCA108.4°90.0°
CD1CGCBH14130.9°29.9°
CD1CGCBH1512.2°150.0°
CGCD1CE1H17179.6°180.0°
CD1CGCD2H20179.1°179.9°
CD2CGCBCA71.8°90.3°
CD2CGCBH1448.8°149.8°
CD2CGCBH15167.5°29.7°
CD2CGCD1H16179.9°179.8°
CGCD2CE2H19178.7°179.7°
CGCBCAH14120.6°120.0°
CGCBCAH15120.6°120.0°
CGCBCAN55.6°65.7°
CGCBCAC174.6°175.0°
CGCBCAH1367.8°54.7°
CGCBH14H15118.0°120.1°
CBCGCD1H160.2°0.1°
CBCGCD2H200.7°0.2°
CAFCAGNBCH26120.2°120.0°
CAFCAGNBCH27120.2°120.0°
CAGCAFCAACAE172.3°179.8°
CAGCAFCAACAB179.5°180.0°
CAFCAGNBCCBE93.0°180.0°
CAGCAFCAECAD178.6°179.8°
CAFCAGNBCH2587.0°0.1°
CAFCAGH26H27119.3°120.0°
CAGCAFCAAH280.5°0.0°
CAGCAFCAEH321.4°0.0°
NBCCAGCAFCAA124.0°89.7°
NBCCAGCAFCAE63.8°90.0°
CAGNBCCBEOBD1.5°5.1°
CAGNBCCBEH25180.0°179.9°
CAGNBCCBENBN179.7°174.9°
NBCCAGH26H27119.3°120.0°
CAFCAACABH28180.0°180.0°
CAFCAACABCAC3.1°0.0°
CAACAFCAECAD6.3°0.5°
CAACAFCAGH263.8°150.3°
CAACAFCAGH27115.7°30.2°
CAFCAACABH29176.9°180.0°
CAACAFCAEH32173.7°179.7°
CABCAACAFCAE7.2°0.3°
CAACABCACH29180.0°180.0°
CAACABCACCAD1.9°0.0°
CAACABCACH30178.2°180.0°
CAFCAECADH32180.0°179.8°
CAFCAECADCAC1.4°0.4°
CAECAFCAGH26176.0°30.0°
CAECAFCAGH2756.5°150.0°
CAECAFCAAH28172.8°179.8°
CAFCAECADH31178.6°179.8°
CABCACCADCAE2.7°0.2°
CABCACCADH30180.0°180.0°
CACCABCAAH28176.9°180.0°
CABCACCADH31177.2°180.0°
OBDCBENBCNBN178.2°180.0°
OBDCBENBNCBO5.2°175.2°
OBDCBENBNCBM172.1°4.4°
OBDCBENBCH25178.5°175.0°
NBCCBENBNCBO173.1°4.9°
NBCCBENBNCBM6.2°175.5°
CBENBCCAGH26146.8°60.0°
CBENBCCAGH2727.2°60.0°
CAECADCACH31180.0°179.8°
CAECADCACH30177.3°179.8°
CBCANCBK114.0°103.5°
CBCANC116.4°119.8°
CBCANH13122.8°120.3°
CBCANCBO69.7°76.5°
CBCACH13116.7°120.3°
CBCACO69.2°73.0°
CBCACNBH101.6°107.0°
CACBH14H15118.0°120.0°
CBENBNCBMCBL95.4°123.4°
CBENBNCBON117.9°148.9°
CBENBNCBOCBM167.6°179.6°
CBENBNCBOCBI121.7°91.5°
CBENBNCBOH121.4°28.2°
CBENBNCBMH2323.4°3.9°
CBENBNCBMH24145.7°117.1°
NBNCBENBCH250.3°5.0°
CADCACCABH29178.1°180.0°
CACCADCAEH32178.6°179.8°
OBACBKCBLN177.7°179.9°
OBACBKCBLCBM159.9°151.5°
OBACBKNCA5.9°3.2°
OBACBKNCBO178.1°176.7°
OBACBKCBLH2179.9°88.7°
OBACBKCBLH2239.7°31.6°
CBKCBLCBMH21120.2°119.9°
CBKCBLCBMH22120.2°119.9°
CBLCBKNCA176.3°176.8°
CBLCBKNCBO0.3°3.2°
CBKCBLCBMNBN51.0°50.6°
CBKCBLH21H22119.5°120.3°
CBKCBLCBMH23169.8°170.3°
CBKCBLCBMH2467.9°68.9°
CBMCBLCBKN22.4°28.5°
CBLCBMNBNCBO71.4°56.9°
CBLCBMNBNH23118.9°119.6°
CBLCBMNBNH24118.8°119.5°
CBMCBLH21H22119.4°120.2°
CBLCBMH23H24123.3°120.8°
CBKNCACBO176.3°180.0°
CBKNCBONBN11.1°2.4°
CBKNCAC129.6°136.7°
CBKNCBOCBI113.6°117.9°
CBKNCBOH12128.2°123.0°
CBKNCAH138.8°16.8°
NCBKCBLH2197.8°91.4°
NCBKCBLH22142.6°148.3°
CANCBONBN172.7°177.6°
NCACH13120.8°119.8°
CANCBOCBI62.7°62.1°
NCACO168.3°167.1°
NCACNBH20.9°12.8°
CANCBOH1255.5°57.0°
NCACBH14176.2°54.3°
NCACBH1565.0°174.3°
NCBONBNCBI120.4°119.6°
NCBONBNH12116.5°120.6°
NCBONBNCBM49.7°31.5°
CBONCAC46.7°43.3°
NCBOCBIH12118.0°119.1°
NCBOCBINBH46.3°46.9°
NCBOCBIH10166.3°73.4°
NCBOCBIH1173.7°167.1°
CBONCAH13167.5°163.1°
NBNCBOCBIH12123.4°119.7°
NBNCBOCBINBH164.9°168.1°
NBNCBOCBIH1075.2°47.8°
NBNCBOCBIH1144.9°71.7°
CBONBNCBMH23169.7°176.5°
CBONBNCBMH2447.4°62.6°
CBMNBNCBOCBI70.7°88.1°
CBMNBNCBOH12166.2°152.1°
NBNCBMCBLH2169.2°69.3°
NBNCBMCBLH22171.2°170.5°
NBNCBMH23H24123.3°121.0°
CACONBH171.2°180.0°
CACNBHCBI12.0°3.9°
CACNBHCAZ176.9°175.8°
CCACBH1464.8°65.0°
CCACBH1554.0°55.0°
CBOCBINBHC25.2°21.3°
CBOCBINBHH10120.0°120.3°
CBOCBINBHH11120.0°120.2°
CBOCBINBHCAZ163.6°158.5°
CBOCBIH10H11120.0°119.4°
CASCARCAQH6180.0°179.9°
CARCASCATH5180.0°180.0°
CASCARCAQCAP1.8°0.0°
CARCASCATCAU0.2°0.0°
CARCASCATH4179.8°180.0°
CASCARCAQH7178.2°180.0°
CAQCARCASCAT0.9°0.0°
CARCAQCAPH7180.0°180.0°
CARCAQCAPCAU1.5°0.0°
CARCAQCAPCAY179.8°179.7°
CAQCARCASH5179.1°180.0°
CASCATCAUH4180.0°180.0°
CASCATCAUCAP0.5°0.0°
CASCATCAUCAV179.6°180.0°
CATCASCARH6179.1°180.0°
OCNBHCBI177.3°176.0°
OCNBHCAZ6.2°4.2°
OCCAH1347.6°47.3°
CNBHCBICAZ171.2°179.8°
CNBHCAZCAY127.9°84.7°
CNBHCAZH8111.6°155.3°
CNBHCAZH97.4°35.3°
CNBHCBIH10145.2°99.0°
CNBHCBIH1194.8°141.5°
NBHCCAH13141.7°132.7°
CAQCAPCAUCAT0.3°0.0°
CAQCAPCAUCAY178.7°179.8°
CAQCAPCAUCAV178.8°180.0°
CAQCAPCAYCAZ2.6°0.1°
CAQCAPCAYCAX178.2°179.8°
CAPCAQCARH6178.1°180.0°
CBINBHCAZCAY60.3°95.5°
CBINBHCAZH860.2°24.5°
CBINBHCAZH9179.2°144.5°
NBHCBIH10H11120.1°119.4°
NBHCBICBOH1271.7°72.2°
CATCAUCAPCAV179.1°180.0°
CATCAUCAPCAY179.1°179.8°
CATCAUCAVCAW179.8°180.0°
CATCAUCAVH30.2°0.1°
CAUCATCASH5179.8°180.0°
NBHCAZCAYCAP75.1°81.5°
NBHCAZCAYH8120.5°120.0°
NBHCAZCAYH9120.5°120.0°
NBHCAZCAYCAX109.1°98.4°
NBHCAZH8H9118.4°120.0°
CAZNBHCBIH1043.6°81.2°
CAZNBHCBIH1176.4°38.2°
CAUCAPCAYCAZ178.8°179.7°
CAUCAPCAYCAX3.1°0.5°
CAPCAUCAVCAW0.7°0.0°
CAPCAUCAVH3179.3°180.0°
CAPCAUCATH4179.5°180.0°
CAUCAPCAQH7178.5°180.0°
CAYCAPCAUCAV0.0°0.2°
CAPCAYCAZCAX175.8°179.8°
CAPCAYCAXCAW5.4°0.4°
CAPCAYCAXH1174.6°179.7°
CAYCAPCAQH70.2°0.2°
CAPCAYCAZH8164.4°38.6°
CAPCAYCAZH945.4°158.5°
CAUCAVCAWH3180.0°179.9°
CAUCAVCAWCAX1.7°0.1°
CAUCAVCAWH2178.3°180.0°
CAVCAUCATH40.4°0.0°
CAZCAYCAXCAW178.7°179.7°
CAZCAYCAXH11.3°0.1°
CAYCAZH8H9118.5°120.0°
CAYCAXCAWCAV4.7°0.2°
CAYCAXCAWH1180.0°179.8°
CAYCAXCAWH2175.3°179.8°
CAXCAYCAZH811.4°141.6°
CAXCAYCAZH9130.4°21.6°
CAVCAWCAXH2180.0°179.9°
CAVCAWCAXH1175.3°180.0°
CAXCAWCAVH3178.4°180.0°
H1CAXCAWH24.7°0.1°
H2CAWCAVH31.7°0.1°
H4CATCASH50.2°0.0°
H5CASCARH60.9°0.0°
H6CARCAQH71.9°0.0°
H10CBICBOH1248.2°167.5°
H11CBICBOH12168.3°48.0°
H13CACBH1452.8°174.7°
H13CACBH15171.6°65.3°
H16CD1CE1H170.3°0.0°
H19CE2CD2H201.3°0.2°
H21CBLCBMH2349.6°50.4°
H21CBLCBMH24172.0°171.2°
H22CBLCBMH2370.0°69.8°
H22CBLCBMH2452.3°50.9°
H25NBCCAGH2633.2°119.9°
H25NBCCAGH27152.8°120.1°
H28CAACABH293.1°0.0°
H29CABCACH301.9°0.0°
H30CACCADH312.7°0.0°
H31CADCAEH321.4°0.0°

251174

PDB entries from 2026-03-25

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