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9C5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAECADsing1.43Å1.40Å
CADCACsing1.53Å1.48Å
CACNABsing1.46Å1.47Å
CAANABsing1.46Å1.47Å
NABCAFsing1.39Å1.34Å
CAFCAKdoub1.39Å1.39ÅAromatic
CAFCAGsing1.39Å1.39ÅAromatic
CAKCAJsing1.38Å1.40ÅAromatic
CAGCAHdoub1.38Å1.40ÅAromatic
CAJCAIdoub1.40Å1.39ÅAromatic
CAHCAIsing1.40Å1.39ÅAromatic
CAICALsing1.48Å1.40Å
CALNAMdoub1.31Å1.34Å
CALNAVsing1.37Å1.40Å
NAMCANsing1.35Å1.34Å
NAVCATsing1.35Å1.39Å
CANCASdoub1.40Å1.39ÅAromatic
CANCAOsing1.41Å1.39ÅAromatic
CASCARsing1.38Å1.38ÅAromatic
CATCAOsing1.47Å1.40Å
CATOAUdoub1.22Å1.23Å
CAOCAPdoub1.39Å1.39ÅAromatic
CARCAQdoub1.39Å1.39ÅAromatic
CAPCAQsing1.38Å1.39ÅAromatic
OAEH1sing0.97Å0.95Å
CADH2sing1.09Å1.10Å
CADH3sing1.09Å1.10Å
CACH4sing1.09Å1.10Å
CACH5sing1.09Å1.10Å
CAAH6sing1.09Å1.10Å
CAAH7sing1.09Å1.10Å
CAAH8sing1.09Å1.10Å
CAKH9sing1.08Å1.08Å
CAJH10sing1.08Å1.08Å
CAGH11sing1.08Å1.08Å
CAHH12sing1.08Å1.08Å
CASH13sing1.08Å1.08Å
CARH14sing1.08Å1.08Å
CAQH15sing1.08Å1.08Å
CAPH16sing1.08Å1.08Å
NAVH17sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAECADCAC102.2°109.5°
CADOAEH1109.5°114.0°
OAECADH2111.2°109.5°
OAECADH3111.3°109.5°
CADCACNAB102.3°109.5°
CACCADH2111.3°109.4°
CACCADH3111.3°109.5°
CADCACH4111.2°109.5°
CADCACH5111.2°109.5°
CACNABCAA120.1°120.0°
CACNABCAF121.5°120.0°
NABCACH4111.2°109.5°
NABCACH5111.2°109.5°
CAANABCAF118.2°120.0°
NABCAAH6109.5°109.4°
NABCAAH7109.5°109.5°
NABCAAH8109.5°109.5°
NABCAFCAK120.6°120.0°
NABCAFCAG120.7°119.9°
CAKCAFCAG118.7°120.1°
CAFCAKCAJ120.8°120.1°
CAFCAKH9119.6°119.9°
CAFCAGCAH120.7°120.1°
CAFCAGH11119.7°120.0°
CAKCAJCAI120.6°119.9°
CAJCAKH9119.6°120.0°
CAKCAJH10119.7°120.0°
CAGCAHCAI120.8°119.9°
CAHCAGH11119.7°119.9°
CAGCAHH12119.6°120.0°
CAJCAICAH118.3°119.8°
CAJCAICAL121.0°120.1°
CAICAJH10119.7°120.0°
CAHCAICAL120.4°120.1°
CAICAHH12119.6°120.0°
CAICALNAM119.4°118.5°
CAICALNAV121.0°118.5°
NAMCALNAV119.4°123.0°
CALNAMCAN121.2°121.7°
CALNAVCAT121.3°120.4°
CALNAVH17119.4°119.8°
NAMCANCAS118.0°121.5°
NAMCANCAO121.4°119.2°
NAVCATCAO117.6°117.5°
NAVCATOAU119.3°121.3°
CATNAVH17119.3°119.8°
CASCANCAO120.5°119.3°
CANCASCAR119.7°119.7°
CANCASH13120.1°120.1°
CANCAOCAT119.0°118.2°
CANCAOCAP119.7°120.0°
CASCARCAQ120.0°120.8°
CARCASH13120.2°120.1°
CASCARH14120.0°119.6°
CAOCATOAU123.1°121.2°
CATCAOCAP121.3°121.8°
CAOCAPCAQ119.7°119.5°
CAOCAPH16120.2°120.3°
CARCAQCAP120.4°120.6°
CAQCARH14120.0°119.6°
CARCAQH15119.8°119.7°
CAPCAQH15119.8°119.7°
CAQCAPH16120.1°120.2°
H2CADH3109.5°109.5°
H4CACH5109.4°109.4°
H6CAAH7109.5°109.5°
H6CAAH8109.4°109.4°
H7CAAH8109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAECADCACH2118.8°120.0°
OAECADCACH3118.8°120.0°
OAECADCACNAB51.3°65.0°
OAECADH2H3123.4°120.0°
OAECADCACH4170.1°175.0°
OAECADCACH567.6°55.0°
CADCACNABH4118.9°120.0°
CADCACNABH5118.9°120.0°
CADCACNABCAA78.1°90.0°
CADCACNABCAF107.0°90.1°
CACCADOAEH1180.0°180.0°
CACCADH2H3123.4°120.0°
CADCACH4H5123.3°120.0°
CACNABCAACAF175.0°179.9°
CACNABCAFCAK40.1°180.0°
CACNABCAFCAG138.8°0.3°
NABCACCADH267.5°55.0°
NABCACCADH3170.1°175.0°
NABCACH4H5123.3°120.0°
CACNABCAAH6180.0°90.0°
CACNABCAAH760.0°150.0°
CACNABCAAH860.0°30.0°
CAANABCAFCAK144.9°0.1°
CAANABCAFCAG36.2°179.8°
CAANABCACH4163.1°150.0°
CAANABCACH540.8°30.0°
NABCAAH6H7120.0°120.0°
NABCAAH6H8120.0°120.0°
NABCAAH7H8120.0°120.1°
NABCAFCAKCAG178.9°179.7°
NABCAFCAKCAJ179.6°180.0°
NABCAFCAGCAH179.7°179.9°
CAFNABCACH411.8°30.0°
CAFNABCACH5134.1°150.0°
CAFNABCAAH65.0°90.1°
CAFNABCAAH7115.1°29.9°
CAFNABCAAH8124.9°150.0°
NABCAFCAKH90.4°0.2°
NABCAFCAGH110.3°0.0°
CAFCAKCAJH9180.0°179.8°
CAKCAFCAGCAH0.7°0.3°
CAFCAKCAJCAI1.8°0.1°
CAFCAKCAJH10178.2°179.9°
CAKCAFCAGH11179.3°179.7°
CAGCAFCAKCAJ0.7°0.4°
CAFCAGCAHH11180.0°180.0°
CAFCAGCAHCAI2.0°0.0°
CAGCAFCAKH9179.3°179.8°
CAFCAGCAHH12178.0°179.9°
CAKCAJCAIH10180.0°180.0°
CAKCAJCAICAH2.9°0.2°
CAKCAJCAICAL176.9°180.0°
CAGCAHCAICAJ3.0°0.3°
CAGCAHCAIH12180.0°180.0°
CAGCAHCAICAL177.0°180.0°
CAJCAICAHCAL174.0°179.8°
CAJCAICALNAM17.0°0.1°
CAJCAICALNAV168.7°179.7°
CAICAJCAKH9178.2°179.9°
CAJCAICAHH12177.0°179.7°
CAHCAICALNAM156.9°179.7°
CAHCAICALNAV17.5°0.0°
CAHCAICAJH10177.0°179.8°
CAICAHCAGH11178.0°180.0°
CAICALNAMNAV174.4°179.7°
CAICALNAMCAN177.5°180.0°
CAICALNAVCAT177.2°179.8°
CALCAICAJH103.1°0.0°
CALCAICAHH123.0°0.1°
CAICALNAVH172.8°0.1°
NAMCALNAVCAT2.9°0.6°
CALNAMCANCAS179.0°180.0°
CALNAMCANCAO3.1°0.1°
NAMCALNAVH17177.1°179.8°
NAVCALNAMCAN3.1°0.3°
CALNAVCATH17180.0°179.6°
CALNAVCATCAO2.5°0.5°
CALNAVCATOAU178.5°179.7°
NAMCANCASCAO177.9°180.0°
NAMCANCASCAR179.0°180.0°
NAMCANCAOCAT2.8°0.0°
NAMCANCAOCAP179.3°179.9°
NAMCANCASH131.0°0.1°
NAVCATCAOCAN2.4°0.2°
NAVCATCAOOAU178.9°179.7°
NAVCATCAOCAP179.7°179.7°
CANCASCARH13180.0°180.0°
CASCANCAOCAT179.4°180.0°
CASCANCAOCAP1.5°0.0°
CANCASCARCAQ0.5°0.0°
CANCASCARH14179.5°180.0°
CAOCANCASCAR1.1°0.0°
CANCAOCATCAP177.9°180.0°
CANCAOCATOAU178.7°180.0°
CANCAOCAPCAQ1.3°0.0°
CAOCANCASH13178.9°180.0°
CANCAOCAPH16178.7°180.0°
CASCARCAQH14180.0°180.0°
CASCARCAQCAP0.3°0.0°
CASCARCAQH15179.7°180.0°
CATCAOCAPCAQ179.1°180.0°
CATCAOCAPH160.8°0.1°
CAOCATNAVH17177.5°179.8°
OAUCATCAOCAP0.8°0.0°
OAUCATNAVH171.5°0.1°
CAOCAPCAQCAR0.7°0.1°
CAOCAPCAQH16180.0°179.9°
CAOCAPCAQH15179.3°180.0°
CARCAQCAPH15180.0°180.0°
CAQCARCASH13179.5°180.0°
CARCAQCAPH16179.3°180.0°
CAPCAQCARH14179.6°180.0°
H1OAECADH261.2°60.0°
H1OAECADH361.2°60.0°
H2CADCACH451.3°65.0°
H2CADCACH5173.6°175.0°
H3CADCACH471.1°55.0°
H3CADCACH551.2°65.0°
H6CAAH7H8120.0°120.0°
H9CAKCAJH101.8°0.1°
H11CAGCAHH122.0°0.0°
H13CASCARH140.6°0.0°
H14CARCAQH150.4°0.0°
H15CAQCAPH160.7°0.1°

222415

PDB entries from 2024-07-10

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