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81C

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CADCBRsing1.53Å1.55Å
CACCBRsing1.53Å1.52Å
CBRSBVsing1.81Å1.94Å
OAISBVdoub1.42Å1.53Å
CL5C5sing1.74Å1.77Å
SBVOAHdoub1.42Å1.54Å
SBVCBQsing1.76Å1.74Å
CBQCAOdoub1.38Å1.39ÅAromatic
CBQCBKsing1.39Å1.39ÅAromatic
NBECBKsing1.40Å1.34Å
NBEC4sing1.39Å1.34Å
C5C6doub1.38Å1.40ÅAromatic
C5C4sing1.40Å1.40ÅAromatic
CAOCAMsing1.38Å1.38ÅAromatic
CBKCANdoub1.39Å1.40ÅAromatic
C6N1sing1.33Å1.40ÅAromatic
C4N3doub1.33Å1.35ÅAromatic
CAMCALdoub1.38Å1.39ÅAromatic
CANCALsing1.38Å1.39ÅAromatic
N3C2sing1.32Å1.34ÅAromatic
N1C2doub1.33Å1.36ÅAromatic
C2NBDsing1.38Å1.34Å
OAGCBHdoub1.22Å1.23Å
NBDCBLsing1.40Å1.35Å
CBHCAUsing1.47Å1.53Å
CBHNBCsing1.35Å1.35Å
CAUCATdoub1.33Å1.52Å
CAQCBLdoub1.39Å1.39ÅAromatic
CAQCBMsing1.39Å1.40ÅAromatic
CBLCBNsing1.39Å1.38ÅAromatic
NBCCBMsing1.40Å1.35Å
CBMCBPdoub1.39Å1.40ÅAromatic
CBNOBFsing1.36Å1.36Å
CBNCARdoub1.39Å1.38ÅAromatic
OBFCABsing1.43Å1.43Å
CBPCARsing1.39Å1.38ÅAromatic
CBPNBUsing1.40Å1.35Å
CAXNBUsing1.47Å1.50Å
CAXCAVsing1.53Å1.50Å
NBUCAYsing1.47Å1.50Å
CAVNBTsing1.47Å1.47Å
CAYCAWsing1.53Å1.53Å
NBTCAWsing1.47Å1.49Å
NBTCASsing1.47Å1.48Å
CAACASsing1.53Å1.54Å
C6H1sing1.08Å1.08Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CAAH4sing1.09Å1.10Å
CABH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CACH8sing1.09Å1.10Å
CACH9sing1.09Å1.10Å
CACH10sing1.09Å1.10Å
CADH11sing1.09Å1.10Å
CADH12sing1.09Å1.10Å
CADH13sing1.09Å1.10Å
CALH14sing1.08Å1.08Å
CAMH15sing1.08Å1.08Å
CANH16sing1.08Å1.08Å
CAOH17sing1.08Å1.08Å
CAQH18sing1.08Å1.08Å
CARH19sing1.08Å1.08Å
CASH20sing1.09Å1.10Å
CASH21sing1.09Å1.10Å
CATH22sing1.08Å1.08Å
CATH23sing1.08Å1.08Å
CAUH25sing1.08Å1.08Å
CAVH27sing1.09Å1.10Å
CAVH28sing1.09Å1.10Å
CAWH29sing1.09Å1.10Å
CAWH30sing1.09Å1.10Å
CAXH31sing1.09Å1.10Å
CAXH32sing1.09Å1.10Å
CAYH33sing1.09Å1.10Å
CAYH34sing1.09Å1.10Å
CBRH35sing1.09Å1.10Å
NBCH36sing0.97Å1.00Å
NBDH37sing0.97Å1.00Å
NBEH38sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CADCBRCAC111.3°109.5°
CADCBRSBV111.8°109.5°
CBRCADH11109.5°109.5°
CBRCADH12109.4°109.5°
CBRCADH13109.4°109.5°
CADCBRH35111.3°109.5°
CACCBRSBV103.5°109.5°
CBRCACH8109.5°109.5°
CBRCACH9109.5°109.5°
CBRCACH10109.5°109.5°
CACCBRH35111.8°109.5°
CBRSBVOAI103.1°110.5°
CBRSBVOAH109.1°110.5°
CBRSBVCBQ117.1°104.5°
SBVCBRH35106.9°109.5°
OAISBVOAH111.8°121.0°
OAISBVCBQ106.1°104.3°
CL5C5C6119.3°120.8°
CL5C5C4121.8°120.7°
OAHSBVCBQ109.4°104.3°
SBVCBQCAO115.2°120.0°
SBVCBQCBK125.7°120.0°
CAOCBQCBK119.0°120.0°
CBQCAOCAM121.8°120.0°
CBQCAOH17119.1°119.9°
CBQCBKNBE116.7°120.1°
CBQCBKCAN119.0°119.8°
CBKNBEC4121.4°120.0°
NBECBKCAN124.3°120.1°
CBKNBEH38119.3°120.0°
NBEC4C5115.8°120.5°
NBEC4N3124.6°120.5°
C4NBEH38119.3°120.1°
C6C5C4118.9°118.5°
C5C6N1118.6°119.3°
C5C6H1120.7°120.4°
C5C4N3119.6°119.0°
CAOCAMCAL119.7°120.2°
CAOCAMH15120.1°119.9°
CAMCAOH17119.1°120.0°
CBKCANCAL121.7°119.9°
CBKCANH16119.1°120.0°
C6N1C2120.4°120.9°
N1C6H1120.7°120.3°
C4N3C2122.7°120.6°
CAMCALCAN118.6°120.1°
CAMCALH14120.7°120.0°
CALCAMH15120.1°119.9°
CANCALH14120.7°119.9°
CALCANH16119.2°120.1°
N3C2N1119.7°121.7°
N3C2NBD121.8°119.1°
N1C2NBD118.5°119.1°
C2NBDCBL122.6°120.0°
C2NBDH37118.7°120.1°
OAGCBHCAU118.9°120.0°
OAGCBHNBC126.9°120.0°
NBDCBLCAQ126.4°120.0°
NBDCBLCBN114.6°120.0°
CBLNBDH37118.7°119.9°
CAUCBHNBC114.2°120.0°
CBHCAUCAT110.2°120.1°
CBHCAUH25124.9°120.0°
CBHNBCCBM124.7°120.0°
CBHNBCH36117.6°120.0°
CAUCATH22120.0°120.1°
CAUCATH23120.0°119.9°
CATCAUH25124.9°119.9°
CBLCAQCBM120.8°120.0°
CAQCBLCBN119.0°120.1°
CBLCAQH18119.6°120.0°
CAQCBMNBC124.3°120.0°
CAQCBMCBP119.0°119.9°
CBMCAQH18119.6°120.0°
CBLCBNOBF115.7°120.0°
CBLCBNCAR121.2°120.0°
NBCCBMCBP116.7°120.1°
CBMNBCH36117.7°120.0°
CBMCBPCAR119.5°120.0°
CBMCBPNBU123.5°120.0°
OBFCBNCAR123.2°120.0°
CBNOBFCAB110.9°117.0°
CBNCARCBP120.4°120.0°
CBNCARH19119.8°120.0°
OBFCABH5109.5°109.4°
OBFCABH6109.5°109.5°
OBFCABH7109.5°109.5°
CARCBPNBU117.0°120.0°
CBPCARH19119.8°120.0°
CBPNBUCAX119.5°111.0°
CBPNBUCAY119.6°111.0°
NBUCAXCAV111.9°109.4°
CAXNBUCAY120.5°110.9°
NBUCAXH31108.9°109.5°
NBUCAXH32108.9°109.5°
CAXCAVNBT108.0°109.4°
CAXCAVH27109.9°109.5°
CAXCAVH28109.9°109.5°
CAVCAXH31108.8°109.5°
CAVCAXH32108.9°109.4°
NBUCAYCAW112.4°109.4°
NBUCAYH33108.7°109.4°
NBUCAYH34108.7°109.5°
CAVNBTCAW109.0°110.9°
CAVNBTCAS107.8°111.0°
NBTCAVH27109.8°109.4°
NBTCAVH28109.8°109.5°
CAYCAWNBT111.3°109.3°
CAYCAWH29109.0°109.4°
CAYCAWH30109.0°109.5°
CAWCAYH33108.8°109.4°
CAWCAYH34108.7°109.5°
CAWNBTCAS114.4°111.0°
NBTCAWH29109.0°109.5°
NBTCAWH30109.0°109.5°
NBTCASCAA111.2°109.5°
NBTCASH20109.1°109.4°
NBTCASH21109.0°109.5°
CASCAAH2109.5°109.4°
CASCAAH3109.5°109.4°
CASCAAH4109.5°109.4°
CAACASH20109.1°109.5°
CAACASH21109.0°109.5°
H2CAAH3109.5°109.5°
H2CAAH4109.5°109.6°
H3CAAH4109.4°109.5°
H5CABH6109.4°109.5°
H5CABH7109.5°109.4°
H6CABH7109.5°109.5°
H8CACH9109.5°109.5°
H8CACH10109.5°109.5°
H9CACH10109.4°109.5°
H11CADH12109.5°109.5°
H11CADH13109.5°109.4°
H12CADH13109.5°109.5°
H20CASH21109.5°109.5°
H22CATH23120.0°120.0°
H27CAVH28109.4°109.5°
H29CAWH30109.5°109.6°
H31CAXH32109.5°109.5°
H33CAYH34109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CADCBRCACSBV120.2°120.0°
CADCBRCACH35125.1°120.0°
CADCBRSBVH35122.0°120.0°
CADCBRSBVOAI72.7°56.6°
CADCBRSBVOAH46.3°166.6°
CADCBRSBVCBQ171.2°55.0°
CADCBRCACH8180.0°60.0°
CADCBRCACH960.0°180.0°
CADCBRCACH1060.0°60.0°
CBRCADH11H12120.0°120.1°
CBRCADH11H13120.0°119.9°
CBRCADH12H13120.0°120.0°
CACCBRSBVH35118.1°120.0°
CACCBRSBVOAI47.2°63.4°
CACCBRSBVOAH166.2°73.4°
CACCBRSBVCBQ68.9°175.0°
CBRCACH8H9120.0°120.0°
CBRCACH8H10120.0°120.0°
CBRCACH9H10120.0°120.0°
CACCBRCADH11180.0°180.0°
CACCBRCADH1260.0°60.0°
CACCBRCADH1360.0°60.1°
CBRSBVOAIOAH117.1°131.5°
CBRSBVOAICBQ123.7°111.7°
CBRSBVOAHCBQ129.3°111.7°
CBRSBVCBQCAO149.7°115.0°
CBRSBVCBQCBK32.7°64.7°
SBVCBRCACH859.8°180.0°
SBVCBRCACH960.3°60.0°
SBVCBRCACH10179.8°60.0°
SBVCBRCADH1164.9°60.0°
SBVCBRCADH12175.2°180.0°
SBVCBRCADH1355.2°59.9°
OAISBVOAHCBQ117.3°116.8°
OAISBVCBQCAO35.2°1.1°
OAISBVCBQCBK147.2°179.2°
OAISBVCBRH35165.3°176.6°
CL5C5C4NBE0.2°0.3°
CL5C5C6C4179.8°180.0°
CL5C5C6N1179.9°180.0°
CL5C5C4N3179.5°180.0°
CL5C5C6H10.1°0.0°
OAHSBVCBQCAO85.6°129.0°
OAHSBVCBQCBK92.0°51.3°
OAHSBVCBRH3575.7°46.6°
SBVCBQCAOCBK177.8°179.7°
SBVCBQCBKNBE1.9°0.0°
SBVCBQCAOCAM179.1°180.0°
SBVCBQCBKCAN179.5°180.0°
SBVCBQCAOH170.9°0.1°
CBQSBVCBRH3549.2°65.0°
CAOCBQCBKNBE179.4°179.7°
CBQCAOCAMH17180.0°179.9°
CAOCBQCBKCAN2.0°0.3°
CBQCAOCAMCAL0.8°0.0°
CBQCAOCAMH15179.1°180.0°
CBQCBKNBECAN178.6°179.9°
CBQCBKNBEC4153.0°151.3°
CBKCBQCAOCAM1.3°0.3°
CBQCBKCANCAL2.2°0.1°
CBQCBKCANH16177.8°180.0°
CBKCBQCAOH17178.6°179.8°
CBQCBKNBEH3827.0°28.7°
CBKNBEC4H38180.0°180.0°
CBKNBEC4C5174.6°174.0°
CBKNBEC4N35.7°6.3°
NBECBKCANCAL179.3°180.0°
NBECBKCANH160.7°0.0°
NBEC4C5C6180.0°179.7°
NBEC4C5N3179.7°179.7°
C4NBECBKCAN28.5°28.8°
NBEC4N3C2179.9°179.7°
C5C6N1H1180.0°180.0°
C6C5C4N30.3°0.0°
C5C6N1C20.6°0.0°
C4C5C6N10.1°0.0°
C5C4N3C20.3°0.0°
C4C5C6H1179.9°180.0°
C5C4NBEH385.4°6.0°
CAOCAMCALH15180.0°180.0°
CAOCAMCALCAN1.0°0.2°
CAOCAMCALH14179.0°180.0°
CBKCANCALCAM1.7°0.2°
CBKCANCALH16180.0°179.9°
CBKCANCALH14178.3°180.0°
CANCBKNBEH38151.5°151.2°
C6N1C2N30.6°0.1°
C6N1C2NBD179.1°180.0°
C4N3C2N10.1°0.1°
C4N3C2NBD179.5°180.0°
N3C4NBEH38174.2°173.7°
CAMCALCANH14180.0°179.8°
CAMCALCANH16178.3°179.7°
CALCAMCAOH17179.1°179.9°
CANCALCAMH15179.0°179.8°
N3C2N1NBD179.6°179.9°
N3C2NBDCBL7.7°174.0°
N3C2NBDH37172.3°6.0°
N1C2NBDCBL172.6°6.0°
C2N1C6H1179.4°180.0°
N1C2NBDH377.4°173.9°
C2NBDCBLH37180.0°180.0°
C2NBDCBLCAQ49.4°32.2°
C2NBDCBLCBN132.7°147.8°
OAGCBHCAUNBC179.9°180.0°
OAGCBHCAUCAT80.8°0.0°
OAGCBHNBCCBM1.9°4.9°
OAGCBHCAUH2599.2°179.9°
OAGCBHNBCH36178.1°175.2°
NBDCBLCAQCBN177.8°180.0°
NBDCBLCAQCBM179.1°180.0°
NBDCBLCBNOBF0.6°0.0°
NBDCBLCBNCAR179.6°180.0°
NBDCBLCAQH180.9°0.3°
CBHCAUCATH25180.0°179.9°
CAUCBHNBCCBM178.0°175.1°
CBHCAUCATH220.0°180.0°
CBHCAUCATH23180.0°0.0°
CAUCBHNBCH362.0°4.8°
NBCCBHCAUCAT99.3°180.0°
CBHNBCCBMCAQ10.8°28.7°
CBHNBCCBMH36180.0°179.9°
CBHNBCCBMCBP170.0°151.3°
NBCCBHCAUH2580.7°0.1°
CAUCATH22H23180.0°180.0°
CBLCAQCBMH18180.0°179.7°
CBLCAQCBMNBC178.7°180.0°
CBLCAQCBMCBP0.5°0.0°
CAQCBLCBNOBF178.7°179.9°
CAQCBLCBNCAR1.6°0.0°
CAQCBLNBDH37130.6°147.8°
CBMCAQCBLCBN1.3°0.0°
CAQCBMNBCCBP179.2°180.0°
CAQCBMCBPCAR0.2°0.0°
CAQCBMCBPNBU178.6°180.0°
CAQCBMNBCH36169.3°151.4°
CBLCBNOBFCAR179.7°179.9°
CBLCBNOBFCAB171.8°180.0°
CBLCBNCARCBP1.0°0.0°
CBNCBLCAQH18178.7°179.7°
CBLCBNCARH19179.0°179.9°
CBNCBLNBDH3747.2°32.2°
NBCCBMCBPCAR179.4°180.0°
NBCCBMCBPNBU0.7°0.0°
NBCCBMCAQH181.3°0.2°
CBMCBPCARCBN0.1°0.0°
CBMCBPCARNBU178.8°180.0°
CBMCBPNBUCAX52.2°120.0°
CBMCBPNBUCAY134.9°116.2°
CBPCBMCAQH18179.5°179.7°
CBMCBPCARH19179.9°179.9°
CBPCBMNBCH369.9°28.7°
OBFCBNCARCBP179.3°180.0°
CBNOBFCABH5180.0°60.0°
CBNOBFCABH660.0°180.0°
CBNOBFCABH760.0°59.9°
OBFCBNCARH190.7°0.0°
CARCBNOBFCAB8.5°0.1°
CBNCARCBPH19180.0°179.9°
CBNCARCBPNBU178.9°180.0°
OBFCABH5H6120.0°120.0°
OBFCABH5H7120.0°120.0°
OBFCABH6H7120.0°120.1°
CARCBPNBUCAX126.6°60.0°
CARCBPNBUCAY46.3°63.8°
CBPNBUCAXCAY172.9°123.9°
CBPNBUCAXCAV152.7°176.8°
CBPNBUCAYCAW159.9°176.8°
NBUCBPCARH191.1°0.1°
CBPNBUCAXH3132.3°63.2°
CBPNBUCAXH3286.9°56.9°
CBPNBUCAYH3379.7°56.9°
CBPNBUCAYH3439.4°63.2°
NBUCAXCAVH31120.4°120.0°
NBUCAXCAVH32120.4°120.0°
NBUCAXCAVNBT54.0°58.4°
CAXNBUCAYCAW27.3°59.4°
NBUCAXCAVH2765.8°61.6°
NBUCAXCAVH28173.7°178.4°
NBUCAXH31H32118.9°120.1°
CAXNBUCAYH3393.2°179.3°
CAXNBUCAYH34147.7°60.7°
CAVCAXNBUCAY34.4°59.3°
CAXCAVNBTH27119.8°119.9°
CAXCAVNBTH28119.8°120.0°
CAXCAVNBTCAW70.4°59.3°
CAXCAVNBTCAS164.9°176.8°
CAXCAVH27H28120.7°120.1°
CAVCAXH31H32118.9°120.0°
NBUCAYCAWH33120.4°119.9°
NBUCAYCAWH34120.5°120.1°
NBUCAYCAWNBT40.3°58.4°
NBUCAYCAWH29160.6°178.4°
NBUCAYCAWH3079.9°61.5°
CAYNBUCAXH31154.8°60.6°
CAYNBUCAXH3286.0°179.3°
NBUCAYH33H34118.6°120.1°
CAVNBTCAWCAY63.7°59.3°
CAVNBTCAWCAS120.7°123.9°
CAVNBTCASCAA54.1°170.0°
CAVNBTCASH20174.3°50.0°
CAVNBTCASH2166.2°70.0°
NBTCAVH27H28120.6°120.1°
CAVNBTCAWH29176.0°179.2°
CAVNBTCAWH3056.5°60.6°
NBTCAVCAXH31174.3°61.6°
NBTCAVCAXH3266.4°178.4°
CAYCAWNBTH29120.3°119.9°
CAYCAWNBTH30120.3°119.9°
CAYCAWNBTCAS175.6°176.8°
CAYCAWH29H30119.2°120.0°
CAWCAYH33H34118.7°120.1°
CAWNBTCASCAA175.4°66.2°
CAWNBTCASH2064.3°173.8°
CAWNBTCASH2155.2°53.8°
CAWNBTCAVH2749.4°60.6°
CAWNBTCAVH28169.8°179.3°
NBTCAWH29H30119.2°120.1°
NBTCAWCAYH3380.1°178.3°
NBTCAWCAYH34160.8°61.6°
NBTCASCAAH20120.3°120.0°
NBTCASCAAH21120.2°120.0°
NBTCASCAAH2180.0°180.0°
NBTCASCAAH360.0°60.0°
NBTCASCAAH460.0°60.0°
NBTCASH20H21119.2°120.0°
CASNBTCAVH2775.3°63.2°
CASNBTCAVH2845.1°56.8°
CASNBTCAWH2955.3°56.9°
CASNBTCAWH3064.2°63.3°
CASCAAH2H3120.0°119.9°
CASCAAH2H4120.0°120.0°
CASCAAH3H4120.0°119.9°
CAACASH20H21119.2°120.0°
H2CAAH3H4120.0°120.1°
H2CAACASH2059.7°60.0°
H2CAACASH2159.8°60.0°
H3CAACASH20179.7°60.0°
H3CAACASH2160.2°180.0°
H4CAACASH2060.3°180.0°
H4CAACASH21179.8°60.1°
H5CABH6H7120.0°120.0°
H8CACH9H10120.0°120.0°
H8CACCBRH3554.9°60.0°
H9CACCBRH35174.9°60.0°
H10CACCBRH3565.1°180.0°
H11CADH12H13120.0°119.9°
H11CADCBRH3554.6°60.0°
H12CADCBRH3565.4°60.0°
H13CADCBRH35174.6°179.9°
H14CALCAMH151.0°0.0°
H14CALCANH161.7°0.1°
H15CAMCAOH170.9°0.1°
H22CATCAUH25180.0°0.1°
H23CATCAUH250.0°180.0°
H27CAVCAXH3154.6°178.5°
H27CAVCAXH32173.8°58.4°
H28CAVCAXH3165.9°58.4°
H28CAVCAXH3253.4°61.7°
H29CAWCAYH3340.2°61.7°
H29CAWCAYH3478.9°58.3°
H30CAWCAYH33159.6°58.4°
H30CAWCAYH3440.5°178.4°

222415

PDB entries from 2024-07-10

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