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XX9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABNBDsing1.46Å1.53Å
CAANBDsing1.47Å1.48Å
NBDCBAsing1.39Å1.34Å
CBACARdoub1.39Å1.40ÅAromatic
CBACAQsing1.39Å1.38ÅAromatic
CARCAXsing1.38Å1.40ÅAromatic
CAQCAWdoub1.38Å1.39ÅAromatic
CAXCLIsing1.74Å1.82Å
CAXCBCdoub1.40Å1.40ÅAromatic
CADCBFsing1.53Å1.55Å
CAWCBCsing1.40Å1.38ÅAromatic
CAWCLHsing1.74Å1.75Å
CBCCAUsing1.47Å1.42Å
CBFCAEsing1.53Å1.50Å
CBFCBBsing1.51Å1.44Å
CBFCACsing1.53Å1.54Å
OAGCAVsing1.36Å1.36Å
CBBCAVdoub1.39Å1.45ÅAromatic
CBBCASsing1.38Å1.39ÅAromatic
CAVCAMsing1.39Å1.39ÅAromatic
CASCAZdoub1.39Å1.40ÅAromatic
CAMCAPdoub1.38Å1.40ÅAromatic
CAUOAFdoub1.22Å1.25Å
CAUNBEsing1.35Å1.34Å
CAZCAPsing1.39Å1.41ÅAromatic
CAZNBEsing1.40Å1.37Å
NBECATsing1.47Å1.51Å
CANCAKdoub1.38Å1.41ÅAromatic
CANCAYsing1.38Å1.37ÅAromatic
CAKCAJsing1.38Å1.41ÅAromatic
CAJCALdoub1.38Å1.40ÅAromatic
CAYCATsing1.51Å1.48Å
CAYCAOdoub1.38Å1.38ÅAromatic
CAOCALsing1.38Å1.44ÅAromatic
CAQH1sing1.08Å1.08Å
CABH2sing1.09Å1.10Å
CABH3sing1.09Å1.10Å
CABH4sing1.09Å1.10Å
CAAH5sing1.09Å1.10Å
CAAH6sing1.09Å1.10Å
CAAH7sing1.09Å1.10Å
CARH8sing1.08Å1.08Å
CATH9sing1.09Å1.10Å
CATH10sing1.09Å1.10Å
CANH11sing1.08Å1.08Å
CAKH12sing1.08Å1.08Å
CAJH13sing1.08Å1.08Å
CALH14sing1.08Å1.08Å
CAOH15sing1.08Å1.08Å
CASH16sing1.08Å1.08Å
CAPH17sing1.08Å1.08Å
CAMH18sing1.08Å1.08Å
OAGH19sing0.97Å0.95Å
CADH20sing1.09Å1.10Å
CADH21sing1.09Å1.10Å
CADH22sing1.09Å1.10Å
CAEH23sing1.09Å1.10Å
CAEH24sing1.09Å1.10Å
CAEH25sing1.09Å1.10Å
CACH26sing1.09Å1.10Å
CACH27sing1.09Å1.10Å
CACH28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABNBDCAA119.3°120.0°
CABNBDCBA120.1°120.0°
NBDCABH2109.5°109.5°
NBDCABH3109.5°109.5°
NBDCABH4109.4°109.5°
CAANBDCBA120.3°120.0°
NBDCAAH5109.5°109.5°
NBDCAAH6109.5°109.4°
NBDCAAH7109.5°109.5°
NBDCBACAR122.2°119.9°
NBDCBACAQ122.8°119.9°
CARCBACAQ114.9°120.2°
CBACARCAX122.2°120.1°
CBACARH8118.9°120.0°
CBACAQCAW122.7°120.1°
CBACAQH1118.7°119.9°
CARCAXCLI118.3°120.0°
CARCAXCBC122.8°119.9°
CAXCARH8118.9°119.9°
CAQCAWCBC123.5°119.9°
CAQCAWCLH117.4°120.1°
CAWCAQH1118.7°119.9°
CLICAXCBC118.8°120.0°
CAXCBCCAW113.8°119.8°
CAXCBCCAU124.5°120.1°
CADCBFCAE110.6°109.5°
CADCBFCBB111.6°109.5°
CADCBFCAC109.0°109.5°
CBFCADH20109.5°109.4°
CBFCADH21109.5°109.4°
CBFCADH22109.5°109.4°
CBCCAWCLH119.0°120.1°
CAWCBCCAU121.4°120.1°
CBCCAUOAF120.3°120.0°
CBCCAUNBE120.4°119.9°
CAECBFCBB113.5°109.5°
CAECBFCAC102.4°109.4°
CBFCAEH23109.5°109.4°
CBFCAEH24109.5°109.5°
CBFCAEH25109.5°109.4°
CBBCBFCAC109.4°109.5°
CBFCBBCAV120.5°120.0°
CBFCBBCAS122.9°120.0°
CBFCACH26109.5°109.5°
CBFCACH27109.5°109.4°
CBFCACH28109.5°109.5°
OAGCAVCBB118.8°120.0°
OAGCAVCAM118.4°119.9°
CAVOAGH19109.5°114.0°
CAVCBBCAS116.1°120.0°
CBBCAVCAM122.7°120.1°
CBBCASCAZ120.4°120.0°
CBBCASH16119.8°120.0°
CAVCAMCAP120.2°120.0°
CAVCAMH18119.9°120.0°
CASCAZCAP123.6°120.0°
CASCAZNBE118.1°120.1°
CAZCASH16119.8°120.0°
CAMCAPCAZ116.8°120.0°
CAMCAPH17121.6°120.0°
CAPCAMH18119.9°120.0°
OAFCAUNBE119.2°120.0°
CAUNBECAZ121.4°119.9°
CAUNBECAT118.2°120.1°
CAPCAZNBE118.2°120.0°
CAZCAPH17121.6°120.0°
CAZNBECAT120.5°120.0°
NBECATCAY114.4°109.5°
NBECATH9108.2°109.5°
NBECATH10108.2°109.4°
CAKCANCAY120.3°120.0°
CANCAKCAJ117.4°120.0°
CAKCANH11119.9°120.0°
CANCAKH12121.3°120.0°
CANCAYCAT120.2°120.0°
CANCAYCAO121.9°120.0°
CAYCANH11119.9°120.0°
CAKCAJCAL123.6°120.0°
CAJCAKH12121.3°120.0°
CAKCAJH13118.2°120.0°
CAJCALCAO115.9°120.0°
CALCAJH13118.2°120.0°
CAJCALH14122.0°120.0°
CATCAYCAO117.9°120.0°
CAYCATH9108.2°109.5°
CAYCATH10108.2°109.5°
CAYCAOCAL120.7°120.0°
CAYCAOH15119.7°120.0°
CAOCALH14122.1°120.0°
CALCAOH15119.7°120.0°
H2CABH3109.5°109.4°
H2CABH4109.5°109.5°
H3CABH4109.5°109.5°
H5CAAH6109.4°109.5°
H5CAAH7109.5°109.5°
H6CAAH7109.5°109.4°
H9CATH10109.5°109.5°
H20CADH21109.5°109.5°
H20CADH22109.5°109.5°
H21CADH22109.4°109.5°
H23CAEH24109.5°109.5°
H23CAEH25109.5°109.5°
H24CAEH25109.4°109.5°
H26CACH27109.4°109.5°
H26CACH28109.5°109.5°
H27CACH28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABNBDCAACBA174.2°179.9°
CABNBDCBACAR10.4°0.1°
CABNBDCBACAQ172.7°180.0°
NBDCABH2H3120.0°120.0°
NBDCABH2H4120.0°120.0°
NBDCABH3H4120.0°120.0°
CABNBDCAAH5180.0°120.0°
CABNBDCAAH660.0°0.0°
CABNBDCAAH760.0°119.9°
CAANBDCBACAR163.8°180.0°
CAANBDCBACAQ13.1°0.1°
CAANBDCABH2180.0°90.0°
CAANBDCABH360.0°30.0°
CAANBDCABH460.0°150.0°
NBDCAAH5H6120.0°120.0°
NBDCAAH5H7120.0°120.0°
NBDCAAH6H7120.0°120.0°
NBDCBACARCAQ177.2°179.9°
NBDCBACARCAX176.0°180.0°
NBDCBACAQCAW179.1°180.0°
NBDCBACAQH10.9°0.1°
CBANBDCABH25.7°90.0°
CBANBDCABH3114.3°150.1°
CBANBDCABH4125.8°30.1°
CBANBDCAAH55.8°60.1°
CBANBDCAAH6125.7°179.9°
CBANBDCAAH7114.2°60.0°
NBDCBACARH84.0°0.1°
CBACARCAXH8180.0°180.0°
CARCBACAQCAW1.9°0.1°
CBACARCAXCLI179.0°180.0°
CBACARCAXCBC2.1°0.0°
CARCBACAQH1178.1°180.0°
CAQCBACARCAX1.2°0.1°
CBACAQCAWH1180.0°179.9°
CBACAQCAWCBC4.5°0.0°
CBACAQCAWCLH178.9°179.8°
CAQCBACARH8178.8°180.0°
CARCAXCLICBC179.0°180.0°
CARCAXCBCCAW0.2°0.0°
CARCAXCBCCAU173.7°179.7°
CAQCAWCBCCAX3.3°0.0°
CAQCAWCBCCLH176.6°179.7°
CAQCAWCBCCAU177.0°179.7°
CLICAXCBCCAW178.8°180.0°
CLICAXCBCCAU5.3°0.2°
CLICAXCARH81.1°0.0°
CAXCBCCAWCAU173.7°179.7°
CAXCBCCAWCLH179.9°179.8°
CAXCBCCAUOAF95.6°98.4°
CAXCBCCAUNBE81.7°81.6°
CBCCAXCARH8177.9°180.0°
CADCBFCAECBB126.3°120.0°
CADCBFCAECAC116.0°120.0°
CADCBFCBBCAC120.7°120.0°
CADCBFCBBCAV63.8°60.0°
CADCBFCBBCAS124.9°119.2°
CBFCADH20H21120.0°120.0°
CBFCADH20H22120.0°119.9°
CBFCADH21H22120.0°120.0°
CADCBFCAEH23180.0°180.0°
CADCBFCAEH2460.0°59.9°
CADCBFCAEH2560.0°60.0°
CADCBFCACH26180.0°180.0°
CADCBFCACH2760.0°60.0°
CADCBFCACH2860.0°60.0°
CAWCBCCAUOAF77.5°81.8°
CAWCBCCAUNBE105.3°98.2°
CBCCAWCAQH1175.6°180.0°
CLHCAWCBCCAU6.4°0.0°
CLHCAWCAQH11.1°0.3°
CBCCAUOAFNBE177.3°180.0°
CBCCAUNBECAZ3.9°174.5°
CBCCAUNBECAT177.1°5.4°
CAECBFCBBCAC113.6°120.0°
CAECBFCBBCAV170.5°180.0°
CAECBFCBBCAS0.8°0.8°
CAECBFCADH20180.0°59.9°
CAECBFCADH2160.0°180.0°
CAECBFCADH2260.0°60.0°
CBFCAEH23H24120.0°120.0°
CBFCAEH23H25120.0°119.9°
CBFCAEH24H25120.0°120.0°
CAECBFCACH2662.9°60.1°
CAECBFCACH27177.1°180.0°
CAECBFCACH2857.1°60.0°
CBFCBBCAVOAG5.9°0.5°
CBFCBBCAVCAS171.9°179.3°
CBFCBBCAVCAM177.4°180.0°
CBFCBBCASCAZ175.3°179.7°
CBFCBBCASH164.7°0.2°
CBBCBFCADH2052.7°179.9°
CBBCBFCADH2167.3°60.0°
CBBCBFCADH22172.7°60.0°
CBBCBFCAEH2353.7°60.0°
CBBCBFCAEH24173.7°180.0°
CBBCBFCAEH2566.3°60.0°
CBBCBFCACH2657.7°60.0°
CBBCBFCACH2762.3°60.0°
CBBCBFCACH28177.7°180.0°
CACCBFCBBCAV56.9°60.0°
CACCBFCBBCAS114.4°120.7°
CACCBFCADH2068.2°60.0°
CACCBFCADH21171.7°60.0°
CACCBFCADH2251.8°180.0°
CACCBFCAEH2364.0°60.0°
CACCBFCAEH2456.0°60.0°
CACCBFCAEH25175.9°180.0°
CBFCACH26H27120.0°119.9°
CBFCACH26H28120.0°120.0°
CBFCACH27H28120.0°120.0°
OAGCAVCBBCAM176.6°179.6°
OAGCAVCBBCAS177.8°179.8°
OAGCAVCAMCAP179.2°180.0°
OAGCAVCAMH180.8°0.1°
CAVCBBCASCAZ3.6°0.4°
CBBCAVCAMCAP4.1°0.5°
CAVCBBCASH16176.4°179.5°
CBBCAVCAMH18175.8°179.5°
CBBCAVOAGH19180.0°90.5°
CASCBBCAVCAM5.6°0.7°
CBBCASCAZH16180.0°179.9°
CBBCASCAZCAP0.5°0.0°
CBBCASCAZNBE177.3°179.8°
CAVCAMCAPH18180.0°179.9°
CAVCAMCAPCAZ0.7°0.0°
CAVCAMCAPH17179.3°179.9°
CAMCAVOAGH193.2°90.0°
CASCAZCAPCAM1.2°0.2°
CASCAZNBECAU108.8°6.4°
CASCAZCAPNBE176.8°179.8°
CASCAZNBECAT72.3°173.6°
CASCAZCAPH17178.8°179.7°
CAMCAPCAZH17180.0°180.0°
CAMCAPCAZNBE175.6°180.0°
OAFCAUNBECAZ178.7°5.5°
OAFCAUNBECAT0.2°174.6°
CAUNBECAZCAP74.2°173.3°
CAUNBECAZCAT178.9°180.0°
CAUNBECATCAY105.4°94.7°
CAUNBECATH915.4°145.3°
CAUNBECATH10133.9°25.3°
CAPCAZNBECAT104.7°6.6°
CAPCAZCASH16179.6°179.9°
CAZCAPCAMH18179.3°179.9°
CAZNBECATCAY75.7°85.3°
CAZNBECATH9163.6°34.7°
CAZNBECATH1045.1°154.6°
NBECAZCASH162.7°0.3°
NBECAZCAPH174.4°0.1°
NBECATCAYCAN82.7°96.2°
NBECATCAYH9120.7°120.0°
NBECATCAYH10120.7°120.0°
NBECATCAYCAO96.7°83.4°
NBECATH9H10117.7°120.0°
CAKCANCAYH11180.0°179.9°
CANCAKCAJH12180.0°180.0°
CANCAKCAJCAL3.6°0.0°
CAKCANCAYCAT175.7°180.0°
CAKCANCAYCAO4.9°0.4°
CANCAKCAJH13176.4°180.0°
CAYCANCAKCAJ5.1°0.1°
CANCAYCATCAO179.4°179.6°
CANCAYCAOCAL2.9°0.5°
CANCAYCATH938.0°143.8°
CANCAYCATH10156.6°23.8°
CAYCANCAKH12174.9°179.9°
CANCAYCAOH15177.2°179.7°
CAKCAJCALH13180.0°180.0°
CAKCAJCALCAO1.6°0.1°
CAJCAKCANH11174.9°180.0°
CAKCAJCALH14178.4°180.0°
CAJCALCAOCAY1.1°0.4°
CAJCALCAOH14180.0°179.9°
CALCAJCAKH12176.4°180.0°
CAJCALCAOH15178.9°179.8°
CATCAYCAOCAL177.7°179.8°
CAYCATH9H10117.7°120.0°
CATCAYCANH114.3°0.1°
CATCAYCAOH152.3°0.0°
CAYCAOCALH15180.0°179.8°
CAOCAYCATH9142.5°36.6°
CAOCAYCATH1024.0°156.6°
CAOCAYCANH11175.1°179.7°
CAYCAOCALH14178.9°179.7°
CAOCALCAJH13178.4°179.8°
H2CABH3H4120.0°120.0°
H5CAAH6H7120.0°120.1°
H11CANCAKH125.1°0.0°
H12CAKCAJH133.6°0.0°
H13CAJCALH141.6°0.1°
H14CALCAOH151.1°0.1°
H17CAPCAMH180.7°0.0°
H20CADH21H22120.0°120.0°
H23CAEH24H25120.0°120.0°
H26CACH27H28120.0°120.1°

224572

PDB entries from 2024-09-04

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