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FI3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABOBJsing1.43Å1.42Å
OBJCBWsing1.36Å1.33Å
CAAOBIsing1.43Å1.43Å
CAUCBWdoub1.39Å1.37ÅAromatic
CAUCBVsing1.39Å1.37ÅAromatic
CBWCBUsing1.39Å1.38ÅAromatic
OBICBVsing1.36Å1.34Å
CBVCBTdoub1.39Å1.38ÅAromatic
CBUCLIsing1.74Å1.60Å
CBUCBXdoub1.39Å1.37ÅAromatic
CBTCBXsing1.39Å1.37ÅAromatic
CBTCLHsing1.74Å1.62Å
CBXNBGsing1.40Å1.33Å
NBGCBMsing1.35Å1.33Å
OAGCBMdoub1.22Å1.22Å
CBMNCBsing1.35Å1.34Å
N3C2doub1.32Å1.38ÅAromatic
N3C4sing1.33Å1.32ÅAromatic
NCBC4sing1.39Å1.32Å
NCBCBCsing1.46Å1.46Å
C2N1sing1.32Å1.38ÅAromatic
CAMCAOdoub1.38Å1.38ÅAromatic
CAMCBNsing1.38Å1.38ÅAromatic
C4C5doub1.39Å1.38ÅAromatic
CAOCBOsing1.39Å1.38ÅAromatic
CBCCBNsing1.51Å1.37Å
CBNCALdoub1.38Å1.38ÅAromatic
N1C6doub1.33Å1.33ÅAromatic
C5C6sing1.39Å1.38ÅAromatic
CBONBFsing1.40Å1.32Å
CBOCANdoub1.39Å1.38ÅAromatic
C6NBHsing1.39Å1.32Å
NBFCBLsing1.35Å1.32Å
CALCANsing1.38Å1.39ÅAromatic
NBHCBPsing1.40Å1.32Å
CBLCAWsing1.51Å1.51Å
CBLOAFdoub1.21Å1.22Å
CAWCAVsing1.53Å1.51Å
CAQCBPdoub1.39Å1.38ÅAromatic
CAQCASsing1.38Å1.39ÅAromatic
CBPCAPsing1.39Å1.38ÅAromatic
CASCBRdoub1.39Å1.38ÅAromatic
CAPCARdoub1.38Å1.38ÅAromatic
CBRCARsing1.39Å1.37ÅAromatic
CBRNCAsing1.40Å1.33Å
CAZNCAsing1.47Å1.46Å
CAZCAXsing1.53Å1.50Å
NCACBAsing1.47Å1.46Å
CAXNBZsing1.47Å1.46Å
CBACAYsing1.53Å1.50Å
NBZCAYsing1.47Å1.46Å
NBZCACsing1.47Å1.46Å
CAVH1sing1.09Å1.10Å
CAVH2sing1.09Å1.10Å
CAVH3sing1.09Å1.10Å
CAWH4sing1.09Å1.10Å
CAWH5sing1.09Å1.10Å
NBFH6sing0.97Å1.00Å
CAOH7sing1.08Å1.08Å
CAMH8sing1.08Å1.08Å
CANH9sing1.08Å1.08Å
CALH10sing1.08Å1.08Å
CBCH11sing1.09Å1.10Å
CBCH12sing1.09Å1.10Å
NBGH13sing0.97Å1.00Å
CAAH14sing1.09Å1.10Å
CAAH15sing1.09Å1.10Å
CAAH16sing1.09Å1.10Å
CAUH17sing1.08Å1.08Å
CABH18sing1.09Å1.10Å
CABH19sing1.09Å1.10Å
CABH20sing1.09Å1.10Å
C5H21sing1.08Å1.08Å
C2H22sing1.08Å1.08Å
NBHH23sing0.97Å1.00Å
CAQH24sing1.08Å1.08Å
CASH25sing1.08Å1.08Å
CAPH26sing1.08Å1.08Å
CARH27sing1.08Å1.08Å
CAZH28sing1.09Å1.10Å
CAZH29sing1.09Å1.10Å
CAXH30sing1.09Å1.10Å
CAXH31sing1.09Å1.10Å
CACH33sing1.09Å1.10Å
CACH34sing1.09Å1.10Å
CACH35sing1.09Å1.10Å
CAYH36sing1.09Å1.10Å
CAYH37sing1.09Å1.10Å
CBAH38sing1.09Å1.10Å
CBAH39sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABOBJCBW103.5°117.0°
OBJCABH18109.5°109.4°
OBJCABH19109.5°109.6°
OBJCABH20109.5°109.4°
OBJCBWCAU120.2°120.0°
OBJCBWCBU117.1°119.9°
CAAOBICBV106.1°117.0°
OBICAAH14109.5°109.4°
OBICAAH15109.5°109.4°
OBICAAH16109.5°109.5°
CBWCAUCBV117.2°120.0°
CAUCBWCBU122.7°120.1°
CBWCAUH17121.4°120.0°
CAUCBVOBI121.1°120.0°
CAUCBVCBT121.6°120.0°
CBVCAUH17121.4°120.0°
CBWCBUCLI119.2°120.0°
CBWCBUCBX118.6°120.0°
OBICBVCBT117.3°120.0°
CBVCBTCBX119.4°120.0°
CBVCBTCLH120.1°120.0°
CLICBUCBX122.2°120.0°
CBUCBXCBT120.3°119.9°
CBUCBXNBG121.1°120.0°
CBXCBTCLH120.5°120.0°
CBTCBXNBG118.5°120.1°
CBXNBGCBM116.0°120.0°
CBXNBGH13122.0°120.0°
NBGCBMOAG119.8°120.0°
NBGCBMNCB119.8°120.0°
CBMNBGH13122.0°120.1°
OAGCBMNCB120.3°120.1°
CBMNCBC4118.1°120.0°
CBMNCBCBC121.3°120.0°
C2N3C4120.5°120.8°
N3C2N1119.3°122.0°
N3C2H22120.4°119.0°
N3C4NCB119.7°120.4°
N3C4C5120.2°119.1°
C4NCBCBC120.6°120.0°
NCBC4C5120.1°120.5°
NCBCBCCBN108.0°109.4°
NCBCBCH11109.8°109.5°
NCBCBCH12109.8°109.5°
C2N1C6120.4°120.9°
N1C2H22120.4°119.0°
CAOCAMCBN119.9°120.0°
CAMCAOCBO120.2°119.9°
CAMCAOH7119.9°120.0°
CAOCAMH8120.1°120.0°
CAMCBNCBC118.5°119.9°
CAMCBNCAL120.2°120.2°
CBNCAMH8120.0°120.0°
C4C5C6119.3°118.3°
C4C5H21120.3°120.9°
CAOCBONBF119.3°120.1°
CAOCBOCAN120.0°119.9°
CBOCAOH7119.9°120.1°
CBCCBNCAL121.3°119.9°
CBNCBCH11109.9°109.4°
CBNCBCH12109.8°109.5°
CBNCALCAN119.9°120.0°
CBNCALH10120.1°120.0°
N1C6C5120.3°119.0°
N1C6NBH117.7°120.5°
C5C6NBH122.0°120.5°
C6C5H21120.3°120.9°
NBFCBOCAN120.7°120.1°
CBONBFCBL116.8°120.0°
CBONBFH6121.6°120.0°
CBOCANCAL119.8°119.9°
CBOCANH9120.1°120.0°
C6NBHCBP120.3°120.0°
C6NBHH23119.9°120.0°
NBFCBLCAW115.0°120.0°
NBFCBLOAF124.0°120.0°
CBLNBFH6121.6°120.0°
CALCANH9120.1°120.0°
CANCALH10120.0°119.9°
NBHCBPCAQ121.5°120.0°
NBHCBPCAP118.6°120.0°
CBPNBHH23119.8°120.1°
CAWCBLOAF121.0°120.0°
CBLCAWCAV108.4°109.5°
CBLCAWH4109.8°109.5°
CBLCAWH5109.8°109.5°
CAWCAVH1109.5°109.4°
CAWCAVH2109.5°109.5°
CAWCAVH3109.5°109.5°
CAVCAWH4109.7°109.5°
CAVCAWH5109.7°109.5°
CBPCAQCAS119.5°120.0°
CAQCBPCAP119.8°120.0°
CBPCAQH24120.2°120.0°
CAQCASCBR120.2°120.0°
CASCAQH24120.3°120.0°
CAQCASH25119.9°120.0°
CBPCAPCAR120.8°120.0°
CBPCAPH26119.6°120.0°
CASCBRCAR120.3°120.0°
CASCBRNCA120.5°120.0°
CBRCASH25119.9°120.0°
CAPCARCBR119.4°120.0°
CARCAPH26119.6°120.0°
CAPCARH27120.3°120.1°
CARCBRNCA119.2°120.0°
CBRCARH27120.3°120.0°
CBRNCACAZ120.2°111.0°
CBRNCACBA119.7°111.0°
NCACAZCAX110.6°109.4°
CAZNCACBA120.1°110.9°
NCACAZH28109.2°109.5°
NCACAZH29109.2°109.5°
CAZCAXNBZ111.7°109.4°
CAXCAZH28109.2°109.5°
CAXCAZH29109.2°109.5°
CAZCAXH30108.9°109.5°
CAZCAXH31108.9°109.5°
NCACBACAY110.6°109.3°
NCACBAH38109.2°109.5°
NCACBAH39109.2°109.5°
CAXNBZCAY109.2°110.9°
CAXNBZCAC107.8°111.0°
NBZCAXH30108.9°109.5°
NBZCAXH31108.9°109.5°
CBACAYNBZ110.4°109.4°
CBACAYH36109.3°109.5°
CBACAYH37109.2°109.5°
CAYCBAH38109.2°109.4°
CAYCBAH39109.2°109.5°
CAYNBZCAC107.9°111.0°
NBZCAYH36109.2°109.5°
NBZCAYH37109.2°109.5°
NBZCACH33109.5°109.4°
NBZCACH34109.5°109.4°
NBZCACH35109.5°109.5°
H1CAVH2109.5°109.4°
H1CAVH3109.5°109.5°
H2CAVH3109.5°109.5°
H4CAWH5109.5°109.4°
H11CBCH12109.5°109.4°
H14CAAH15109.4°109.5°
H14CAAH16109.5°109.5°
H15CAAH16109.5°109.5°
H18CABH19109.5°109.5°
H18CABH20109.4°109.5°
H19CABH20109.4°109.5°
H28CAZH29109.5°109.5°
H30CAXH31109.4°109.5°
H33CACH34109.5°109.5°
H33CACH35109.5°109.5°
H34CACH35109.5°109.5°
H36CAYH37109.5°109.5°
H38CBAH39109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABOBJCBWCAU24.1°0.0°
CABOBJCBWCBU155.5°179.6°
OBJCABH18H19120.0°120.1°
OBJCABH18H20120.0°119.9°
OBJCABH19H20120.0°120.0°
OBJCBWCAUCBU179.6°179.6°
OBJCBWCAUCBV180.0°180.0°
OBJCBWCBUCLI0.5°0.4°
OBJCBWCBUCBX179.9°179.7°
OBJCBWCAUH170.0°0.4°
CBWOBJCABH18180.0°60.1°
CBWOBJCABH1960.0°60.0°
CBWOBJCABH2060.0°180.0°
CAAOBICBVCAU41.7°0.1°
CAAOBICBVCBT137.8°180.0°
OBICAAH14H15120.0°119.9°
OBICAAH14H16120.0°120.0°
OBICAAH15H16120.0°120.0°
CBWCAUCBVH17180.0°179.6°
CBWCAUCBVOBI179.7°179.7°
CBWCAUCBVCBT0.3°0.4°
CAUCBWCBUCLI179.8°180.0°
CAUCBWCBUCBX0.4°0.1°
CBVCAUCBWCBU0.4°0.4°
CAUCBVOBICBT179.5°179.9°
CAUCBVCBTCBX0.2°0.1°
CAUCBVCBTCLH179.8°180.0°
CBWCBUCLICBX179.4°179.9°
CBWCBUCBXCBT0.4°0.2°
CBWCBUCBXNBG179.6°180.0°
CBUCBWCAUH17179.6°180.0°
OBICBVCBTCBX179.7°180.0°
OBICBVCBTCLH0.3°0.0°
CBVOBICAAH14180.0°60.0°
CBVOBICAAH1560.0°60.0°
CBVOBICAAH1660.0°180.0°
OBICBVCAUH170.3°0.1°
CBVCBTCBXCBU0.2°0.2°
CBVCBTCBXCLH180.0°180.0°
CBVCBTCBXNBG179.5°180.0°
CBTCBVCAUH17179.8°180.0°
CLICBUCBXCBT179.7°179.7°
CLICBUCBXNBG1.0°0.1°
CBUCBXCBTNBG179.2°179.8°
CBUCBXCBTCLH179.7°179.8°
CBUCBXNBGCBM79.4°129.8°
CBUCBXNBGH13100.6°50.3°
CBTCBXNBGCBM99.8°50.4°
CBTCBXNBGH1380.1°129.5°
CLHCBTCBXNBG0.5°0.0°
CBXNBGCBMH13180.0°179.9°
CBXNBGCBMOAG2.3°5.4°
CBXNBGCBMNCB178.1°174.6°
NBGCBMOAGNCB179.5°180.0°
NBGCBMNCBC40.7°174.9°
NBGCBMNCBCBC179.3°5.1°
OAGCBMNCBC4179.8°5.1°
OAGCBMNCBCBC0.3°174.9°
OAGCBMNBGH13177.7°174.5°
CBMNCBC4N320.9°9.5°
CBMNCBC4CBC179.9°180.0°
CBMNCBC4C5159.0°170.2°
CBMNCBCBCCBN85.4°90.0°
CBMNCBCBCH1134.4°150.0°
CBMNCBCBCH12154.9°30.0°
NCBCBMNBGH131.8°5.5°
C2N3C4NCB179.9°180.0°
N3C2N1H22180.0°179.9°
C2N3C4C50.2°0.3°
N3C2N1C60.2°0.2°
N3C4NCBC5179.9°179.7°
N3C4NCBCBC159.0°170.5°
C4N3C2N10.3°0.1°
N3C4C5C60.0°0.3°
N3C4C5H21180.0°179.7°
C4N3C2H22179.7°180.0°
C4NCBCBCCBN94.7°90.0°
NCBC4C5C6179.9°180.0°
C4NCBCBCH11145.5°30.0°
C4NCBCBCH1225.0°150.0°
NCBC4C5H210.1°0.0°
NCBCBCCBNCAM35.1°90.1°
CBCNCBC4C521.1°9.8°
NCBCBCCBNH11119.7°120.0°
NCBCBCCBNH12119.7°120.0°
NCBCBCCBNCAL144.7°89.7°
NCBCBCH11H12120.7°120.0°
C2N1C6C50.1°0.2°
C2N1C6NBH179.9°179.8°
CAOCAMCBNH8180.0°179.9°
CAMCAOCBOH7180.0°179.9°
CAOCAMCBNCBC179.9°180.0°
CAOCAMCBNCAL0.1°0.2°
CAMCAOCBONBF179.6°180.0°
CAMCAOCBOCAN0.5°0.3°
CBNCAMCAOCBO0.4°0.1°
CAMCBNCBCCAL179.8°179.8°
CAMCBNCALCAN0.0°0.2°
CBNCAMCAOH7179.7°180.0°
CAMCBNCALH10180.0°179.7°
CAMCBNCBCH1184.6°149.9°
CAMCBNCBCH12154.9°30.0°
C4C5C6N10.1°0.1°
C4C5C6H21180.0°180.0°
C4C5C6NBH179.8°180.0°
CAOCBONBFCAN179.1°179.7°
CAOCBONBFCBL170.1°144.5°
CAOCBOCANCAL0.3°0.3°
CAOCBONBFH69.9°35.5°
CBOCAOCAMH8179.6°180.0°
CAOCBOCANH9179.7°179.7°
CBCCBNCALCAN179.8°180.0°
CBCCBNCAMH80.1°0.1°
CBCCBNCALH100.2°0.0°
CBNCBCH11H12120.7°120.0°
CBNCALCANCBO0.1°0.1°
CBNCALCANH10180.0°180.0°
CALCBNCAMH8179.9°179.7°
CBNCALCANH9179.9°180.0°
CALCBNCBCH1195.6°30.3°
CALCBNCBCH1224.9°150.2°
N1C6C5NBH179.9°180.0°
N1C6NBHCBP171.0°6.0°
N1C6C5H21179.9°180.0°
C6N1C2H22179.8°179.7°
N1C6NBHH239.0°173.9°
C5C6NBHCBP9.1°174.0°
C5C6NBHH23170.9°6.1°
CBONBFCBLH6180.0°180.0°
NBFCBOCANCAL179.4°180.0°
CBONBFCBLCAW178.8°175.4°
CBONBFCBLOAF1.1°4.6°
NBFCBOCAOH70.4°0.1°
NBFCBOCANH90.5°0.1°
CANCBONBFCBL10.8°35.2°
CBOCANCALH9180.0°179.9°
CANCBONBFH6169.2°144.8°
CANCBOCAOH7179.6°179.7°
CBOCANCALH10179.9°180.0°
C6NBHCBPH23180.0°179.9°
C6NBHCBPCAQ44.2°34.2°
C6NBHCBPCAP137.5°146.1°
NBHC6C5H210.2°0.0°
NBFCBLCAWOAF179.9°180.0°
NBFCBLCAWCAV144.0°180.0°
NBFCBLCAWH424.2°60.0°
NBFCBLCAWH596.2°60.0°
NBHCBPCAQCAP178.2°179.7°
NBHCBPCAQCAS179.1°180.0°
NBHCBPCAPCAR179.2°180.0°
NBHCBPCAQH240.9°0.0°
NBHCBPCAPH260.8°0.0°
CBLCAWCAVH4119.8°120.1°
CBLCAWCAVH5119.8°120.0°
CBLCAWCAVH1180.0°59.9°
CBLCAWCAVH260.0°59.9°
CBLCAWCAVH360.0°180.0°
CBLCAWH4H5120.5°120.0°
CAWCBLNBFH61.2°4.6°
OAFCBLCAWCAV36.1°0.0°
OAFCBLCAWH4155.9°120.1°
OAFCBLCAWH583.7°120.0°
OAFCBLNBFH6178.9°175.4°
CAWCAVH1H2120.0°119.9°
CAWCAVH1H3120.0°120.1°
CAWCAVH2H3120.0°120.0°
CAVCAWH4H5120.5°120.0°
CBPCAQCASH24180.0°180.0°
CBPCAQCASCBR0.5°0.0°
CAQCBPCAPCAR0.9°0.3°
CAQCBPNBHH23135.8°145.8°
CBPCAQCASH25179.6°180.0°
CAQCBPCAPH26179.1°179.7°
CASCAQCBPCAP0.9°0.3°
CAQCASCBRH25180.0°179.9°
CAQCASCBRCAR0.1°0.2°
CAQCASCBRNCA179.7°180.0°
CBPCAPCARH26180.0°180.0°
CBPCAPCARCBR0.6°0.0°
CAPCBPNBHH2342.5°33.9°
CAPCBPCAQH24179.2°179.7°
CBPCAPCARH27179.4°180.0°
CASCBRCARCAP0.1°0.2°
CASCBRCARNCA179.6°179.8°
CASCBRNCACAZ4.0°56.2°
CASCBRNCACBA174.6°180.0°
CBRCASCAQH24179.6°180.0°
CASCBRCARH27179.8°179.7°
CAPCARCBRH27180.0°180.0°
CAPCARCBRNCA179.7°180.0°
CARCBRNCACAZ176.4°123.6°
CARCBRNCACBA5.0°0.2°
CARCBRCASH25179.9°179.7°
CBRCARCAPH26179.5°180.0°
CBRNCACAZCBA178.6°123.8°
CBRNCACAZCAX142.3°176.8°
CBRNCACBACAY140.2°176.8°
NCACBRCASH250.3°0.1°
NCACBRCARH270.2°0.1°
CBRNCACAZH2822.1°56.9°
CBRNCACAZH2997.5°63.2°
CBRNCACBAH3899.6°63.3°
CBRNCACBAH3920.1°56.9°
NCACAZCAXH28120.2°120.0°
NCACAZCAXH29120.2°119.9°
NCACAZCAXNBZ48.2°58.4°
CAZNCACBACAY41.2°59.3°
NCACAZH28H29119.5°120.0°
NCACAZCAXH3072.2°61.6°
NCACAZCAXH31168.5°178.4°
CAZNCACBAH3879.0°60.6°
CAZNCACBAH39161.4°179.3°
CAXCAZNCACBA39.1°59.3°
CAZCAXNBZH30120.4°120.0°
CAZCAXNBZH31120.4°120.0°
CAZCAXNBZCAY62.7°59.3°
CAZCAXNBZCAC179.7°176.8°
CAXCAZH28H29119.5°120.1°
CAZCAXH30H31119.0°120.0°
NCACBACAYH38120.2°119.9°
NCACBACAYH39120.2°120.0°
NCACBACAYNBZ51.9°58.4°
CBANCACAZH28159.3°179.3°
CBANCACAZH2981.1°60.6°
NCACBACAYH36172.0°61.6°
NCACBACAYH3768.2°178.3°
NCACBAH38H39119.5°120.1°
CAXNBZCAYCBA64.3°59.3°
CAXNBZCAYCAC116.9°123.8°
NBZCAXCAZH28168.3°178.4°
NBZCAXCAZH2972.0°61.5°
NBZCAXH30H31119.0°120.0°
CAXNBZCACH33180.0°60.0°
CAXNBZCACH3460.0°180.0°
CAXNBZCACH3560.0°60.0°
CAXNBZCAYH36175.5°60.6°
CAXNBZCAYH3755.8°179.3°
CBACAYNBZH36120.2°120.0°
CBACAYNBZH37120.1°119.9°
CBACAYNBZCAC178.8°176.8°
CBACAYH36H37119.6°120.0°
CAYCBAH38H39119.5°120.1°
CAYNBZCAXH3057.7°60.6°
CAYNBZCAXH31177.0°179.3°
CAYNBZCACH3362.2°176.3°
CAYNBZCACH3457.8°56.2°
CAYNBZCACH35177.8°63.8°
NBZCAYH36H37119.6°120.1°
NBZCAYCBAH3868.2°61.5°
NBZCAYCBAH39172.1°178.4°
CACNBZCAXH3059.3°63.2°
CACNBZCAXH3160.0°56.8°
NBZCACH33H34120.0°120.0°
NBZCACH33H35120.0°120.0°
NBZCACH34H35120.0°120.0°
CACNBZCAYH3658.6°63.2°
CACNBZCAYH3761.1°56.9°
H1CAVH2H3120.0°120.0°
H1CAVCAWH460.2°60.1°
H1CAVCAWH560.2°179.9°
H2CAVCAWH4179.8°180.0°
H2CAVCAWH559.8°60.1°
H3CAVCAWH459.8°60.0°
H3CAVCAWH5179.8°60.0°
H7CAOCAMH80.4°0.1°
H9CANCALH100.1°0.1°
H14CAAH15H16120.0°120.1°
H18CABH19H20119.9°120.0°
H24CAQCASH250.4°0.0°
H26CAPCARH270.6°0.0°
H28CAZCAXH3048.0°58.4°
H28CAZCAXH3171.3°61.6°
H29CAZCAXH30167.6°178.5°
H29CAZCAXH3148.3°58.5°
H33CACH34H35120.0°120.1°
H36CAYCBAH3851.9°178.5°
H36CAYCBAH3967.8°58.4°
H37CAYCBAH38171.6°58.4°
H37CAYCBAH3952.0°61.7°

248335

PDB entries from 2026-01-28

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