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1D8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAJCALdoub1.38Å1.40ÅAromatic
CAJCANsing1.38Å1.39ÅAromatic
CALCBCsing1.40Å1.40ÅAromatic
CANCBFdoub1.39Å1.40ÅAromatic
OAACAWdoub1.21Å1.25Å
CBCCAWsing1.48Å1.40Å
CBCCAQdoub1.39Å1.40ÅAromatic
CAWOADsing1.35Å1.25Å
CBFCAQsing1.39Å1.40ÅAromatic
CBFNBKsing1.40Å1.35Å
NBKCAZsing1.35Å1.33Å
NBKCBJsing1.47Å1.50Å
OACCAZdoub1.21Å1.25Å
CAZCAYsing1.48Å1.35Å
CBJCBAsing1.51Å1.43Å
CBJCBEsing1.51Å1.45Å
CAYCBAdoub1.35Å1.35Å
CAYOAEsing1.35Å1.36Å
CBACAXsing1.47Å1.37Å
CAPCBEdoub1.38Å1.39ÅAromatic
CAPCBBsing1.38Å1.39ÅAromatic
CBECASsing1.38Å1.40ÅAromatic
OABCAXdoub1.22Å1.25Å
CAXCBDsing1.48Å1.42Å
CLACBBsing1.74Å1.76Å
CBBCBIdoub1.39Å1.33ÅAromatic
CBDCARdoub1.40Å1.41ÅAromatic
CBDCAMsing1.40Å1.41ÅAromatic
CASCBGdoub1.39Å1.35ÅAromatic
CARCBHsing1.38Å1.42ÅAromatic
FAGCBLsing1.40Å1.35Å
FAHCBLsing1.40Å1.23Å
CBICBGsing1.39Å1.33ÅAromatic
CBIOAVsing1.37Å1.37Å
CBGOAUsing1.36Å1.36Å
CAMCAKdoub1.38Å1.40ÅAromatic
CBHCBLsing1.51Å1.43Å
CBHCAOdoub1.38Å1.39ÅAromatic
CBLFAFsing1.40Å1.30Å
OAVCATsing1.44Å1.46Å
CAKCAOsing1.38Å1.41ÅAromatic
OAUCATsing1.44Å1.43Å
CARH1sing1.08Å1.08Å
CAOH2sing1.08Å1.08Å
CAKH3sing1.08Å1.08Å
CAMH4sing1.08Å1.08Å
OAEH5sing0.97Å0.95Å
CAQH6sing1.08Å1.08Å
OADH7sing0.97Å0.95Å
CALH8sing1.08Å1.08Å
CAJH9sing1.08Å1.08Å
CANH10sing1.08Å1.08Å
CBJH11sing1.09Å1.10Å
CASH12sing1.08Å1.08Å
CATH13sing1.09Å1.10Å
CATH14sing1.09Å1.10Å
CAPH15sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CALCAJCAN118.7°120.3°
CAJCALCBC121.3°120.0°
CAJCALH8119.3°120.0°
CALCAJH9120.6°119.9°
CAJCANCBF120.9°120.2°
CANCAJH9120.7°119.9°
CAJCANH10119.5°119.9°
CALCBCCAW119.6°120.1°
CALCBCCAQ119.6°119.8°
CBCCALH8119.4°120.0°
CANCBFCAQ119.7°120.0°
CANCBFNBK119.8°120.0°
CBFCANH10119.5°119.9°
OAACAWCBC119.6°120.0°
OAACAWOAD118.8°120.0°
CAWCBCCAQ120.8°120.1°
CBCCAWOAD121.6°120.0°
CBCCAQCBF119.7°119.8°
CBCCAQH6120.1°120.1°
CAWOADH7109.5°117.0°
CAQCBFNBK120.5°120.0°
CBFCAQH6120.2°120.2°
CBFNBKCAZ126.2°126.1°
CBFNBKCBJ128.2°126.0°
CAZNBKCBJ105.5°107.9°
NBKCAZOAC124.0°125.0°
NBKCAZCAY111.9°109.9°
NBKCBJCBA104.5°106.2°
NBKCBJCBE110.5°110.1°
NBKCBJH11110.1°110.1°
OACCAZCAY124.0°125.0°
CAZCAYCBA110.0°109.2°
CAZCAYOAE122.5°125.4°
CBACBJCBE109.6°110.5°
CBJCBACAY107.9°106.8°
CBJCBACAX121.4°126.6°
CBACBJH11111.1°109.8°
CBJCBECAP119.4°119.9°
CBJCBECAS123.7°119.9°
CBECBJH11110.8°110.2°
CBACAYOAE127.5°125.4°
CAYCBACAX130.6°126.7°
CAYOAEH5109.5°114.0°
CBACAXOAB117.2°120.0°
CBACAXCBD125.7°120.0°
CBECAPCBB117.1°120.1°
CAPCBECAS116.9°120.1°
CBECAPH15121.4°119.9°
CAPCBBCLA119.0°120.0°
CAPCBBCBI124.3°120.0°
CBBCAPH15121.4°119.9°
CBECASCBG122.2°120.1°
CBECASH12118.9°119.9°
OABCAXCBD115.4°120.0°
CAXCBDCAR124.1°120.1°
CAXCBDCAM118.3°120.2°
CLACBBCBI116.7°120.0°
CBBCBICBG119.0°119.8°
CBBCBIOAV129.9°131.5°
CARCBDCAM116.6°119.7°
CBDCARCBH122.3°119.8°
CBDCARH1118.9°120.0°
CBDCAMCAK121.7°119.8°
CBDCAMH4119.2°120.1°
CASCBGCBI120.3°119.8°
CASCBGOAU130.2°131.5°
CBGCASH12118.9°120.0°
CARCBHCBL122.0°119.9°
CARCBHCAO119.2°120.2°
CBHCARH1118.8°120.1°
FAGCBLFAH108.6°109.5°
FAGCBLCBH107.8°109.5°
FAGCBLFAF107.6°109.5°
FAHCBLCBH112.5°109.4°
FAHCBLFAF107.3°109.5°
CBGCBIOAV111.0°108.6°
CBICBGOAU109.4°108.7°
CBIOAVCAT104.9°105.5°
CBGOAUCAT107.1°105.5°
CAMCAKCAO120.3°120.2°
CAMCAKH3119.8°119.9°
CAKCAMH4119.1°120.0°
CBLCBHCAO118.8°119.9°
CBHCBLFAF112.9°109.5°
CBHCAOCAK119.7°120.3°
CBHCAOH2120.1°119.9°
OAVCATOAU104.0°103.7°
OAVCATH13110.8°110.5°
OAVCATH14110.8°110.7°
CAKCAOH2120.1°119.9°
CAOCAKH3119.9°120.0°
OAUCATH13110.8°110.6°
OAUCATH14110.8°110.6°
H13CATH14109.4°110.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CALCAJCANH9180.0°179.7°
CAJCALCBCH8180.0°179.9°
CALCAJCANCBF0.2°0.5°
CAJCALCBCCAW179.5°180.0°
CAJCALCBCCAQ0.2°0.0°
CALCAJCANH10179.8°180.0°
CANCAJCALCBC0.2°0.3°
CAJCANCBFH10180.0°179.5°
CAJCANCBFCAQ0.1°0.5°
CAJCANCBFNBK179.3°179.8°
CANCAJCALH8179.8°179.8°
CALCBCCAWOAA1.6°180.0°
CALCBCCAWCAQ179.3°180.0°
CALCBCCAWOAD178.7°0.0°
CALCBCCAQCBF0.2°0.0°
CALCBCCAQH6179.9°180.0°
CBCCALCAJH9179.7°180.0°
CANCBFCAQCBC0.1°0.3°
CANCBFCAQNBK179.4°179.7°
CANCBFNBKCAZ135.5°179.7°
CANCBFNBKCBJ45.7°0.0°
CANCBFCAQH6179.9°179.8°
CBFCANCAJH9179.8°179.7°
OAACAWCBCOAD179.7°179.9°
OAACAWCBCCAQ179.2°0.0°
OAACAWOADH70.0°0.1°
CAWCBCCAQCBF179.4°180.0°
CAWCBCCAQH60.6°0.0°
CBCCAWOADH7179.7°180.0°
CAWCBCCALH80.5°0.0°
CAQCBCCAWOAD0.5°180.0°
CBCCAQCBFH6180.0°180.0°
CBCCAQCBFNBK179.3°180.0°
CAQCBCCALH8179.8°180.0°
CAQCBFNBKCAZ43.8°0.0°
CAQCBFNBKCBJ135.0°179.7°
CAQCBFCANH10179.9°180.0°
CBFNBKCAZCBJ179.0°179.7°
CBFNBKCAZOAC0.7°0.0°
CBFNBKCAZCAY177.9°180.0°
CBFNBKCBJCBA177.1°179.8°
CBFNBKCBJCBE65.1°60.5°
NBKCBFCAQH60.7°0.1°
NBKCBFCANH100.8°0.3°
CBFNBKCBJH1157.7°61.1°
NBKCAZOACCAY176.9°179.9°
CAZNBKCBJCBA3.9°0.4°
CAZNBKCBJCBE113.9°119.2°
NBKCAZCAYCBA1.0°0.0°
NBKCAZCAYOAE178.3°180.0°
CAZNBKCBJH11123.3°119.2°
CBJNBKCAZOAC179.7°179.7°
CBJNBKCAZCAY3.1°0.3°
NBKCBJCBACBE118.4°119.4°
NBKCBJCBAH11118.8°118.9°
NBKCBJCBEH11122.4°121.6°
NBKCBJCBACAY3.4°0.5°
NBKCBJCBACAX174.1°179.9°
NBKCBJCBECAP125.2°45.2°
NBKCBJCBECAS55.1°134.5°
OACCAZCAYCBA178.2°180.0°
OACCAZCAYOAE1.0°0.1°
CAZCAYCBACBJ1.7°0.3°
CAZCAYCBAOAE179.2°180.0°
CAZCAYCBACAX175.5°180.0°
CAZCAYOAEH50.5°0.0°
CBACBJCBEH11123.0°121.5°
CBJCBACAYCAX177.2°179.7°
CBJCBACAYOAE179.1°179.7°
CBACBJCBECAP120.2°71.7°
CBACBJCBECAS59.5°108.6°
CBJCBACAXOAB1.1°113.7°
CBJCBACAXCBD163.1°66.3°
CBECBJCBACAY115.0°118.9°
CBECBJCBACAX67.5°60.8°
CBJCBECAPCAS179.7°179.7°
CBJCBECAPCBB178.7°179.7°
CBJCBECASCBG178.6°180.0°
CBJCBECASH121.3°0.0°
CBJCBECAPH151.3°0.0°
CAYCBACAXOAB175.8°65.9°
CAYCBACAXCBD20.0°114.0°
CBACAYOAEH5178.6°180.0°
CAYCBACBJH11122.1°119.4°
OAECAYCBACAX3.7°0.0°
CBACAXOABCBD165.8°179.9°
CBACAXCBDCAR151.0°176.4°
CBACAXCBDCAM41.0°3.6°
CAXCBACBJH1155.4°60.9°
CBECAPCBBH15180.0°179.8°
CBECAPCBBCLA180.0°179.7°
CBECAPCBBCBI1.6°0.5°
CAPCBECASCBG1.1°0.3°
CAPCBECBJH112.8°166.8°
CAPCBECASH12178.9°179.7°
CBBCAPCBECAS1.1°0.5°
CAPCBBCLACBI178.6°179.8°
CAPCBBCBICBG2.0°0.2°
CAPCBBCBIOAV179.3°179.7°
CBECASCBGH12180.0°180.0°
CBECASCBGCBI1.5°0.0°
CBECASCBGOAU179.6°180.0°
CASCBECBJH11177.5°12.9°
CASCBECAPH15178.9°179.7°
OABCAXCBDCAR44.6°3.7°
OABCAXCBDCAM123.4°176.4°
CAXCBDCARCAM168.2°179.9°
CAXCBDCARCBH173.7°180.0°
CAXCBDCAMCAK175.4°179.7°
CAXCBDCARH16.3°0.1°
CAXCBDCAMH44.6°0.0°
CLACBBCBICBG179.5°180.0°
CLACBBCBIOAV2.3°0.1°
CLACBBCAPH150.1°0.0°
CBBCBICBGCAS1.9°0.1°
CBBCBICBGOAV177.7°179.9°
CBBCBICBGOAU179.7°180.0°
CBBCBIOAVCAT167.6°162.8°
CBICBBCAPH15178.4°179.8°
CBDCARCBHH1180.0°179.9°
CARCBDCAMCAK6.5°0.2°
CBDCARCBHCBL175.7°180.0°
CBDCARCBHCAO1.7°0.3°
CARCBDCAMH4173.5°179.9°
CAMCBDCARCBH5.5°0.1°
CBDCAMCAKH4180.0°179.7°
CBDCAMCAKCAO3.8°0.2°
CAMCBDCARH1174.5°180.0°
CBDCAMCAKH3176.2°179.7°
CASCBGCBIOAU178.4°179.9°
CASCBGCBIOAV179.6°180.0°
CASCBGOAUCAT168.6°162.7°
CARCBHCBLFAG95.4°60.3°
CARCBHCBLFAH24.4°59.7°
CARCBHCBLCAO177.5°179.7°
CARCBHCBLFAF146.0°179.7°
CARCBHCAOCAK1.3°0.3°
CARCBHCAOH2178.7°179.7°
FAGCBLFAHCBH119.2°120.0°
FAGCBLFAHFAF116.0°120.1°
FAGCBLCBHFAF118.7°120.0°
FAGCBLCBHCAO82.1°120.0°
FAHCBLCBHFAF121.6°120.0°
FAHCBLCBHCAO158.2°120.0°
CBGCBIOAVCAT9.8°17.3°
CBICBGOAUCAT13.2°17.3°
CBICBGCASH12178.5°180.0°
OAVCBICBGOAU2.0°0.0°
CBIOAVCATOAU16.9°27.1°
CBIOAVCATH13102.2°91.4°
CBIOAVCATH14136.1°145.7°
CBGOAUCATOAV18.4°27.1°
OAUCBGCASH120.5°0.1°
CBGOAUCATH13100.7°91.4°
CBGOAUCATH14137.6°145.8°
CAMCAKCAOCBH0.3°0.1°
CAMCAKCAOH3180.0°179.9°
CAMCAKCAOH2179.7°180.0°
CBLCBHCAOCAK178.8°180.0°
CBLCBHCARH14.3°0.1°
CBLCBHCAOH21.2°0.0°
CAOCBHCBLFAF36.6°0.0°
CBHCAOCAKH2180.0°180.0°
CAOCBHCARH1178.3°179.8°
CBHCAOCAKH3179.7°179.9°
OAVCATOAUH13119.1°118.5°
OAVCATOAUH14119.1°118.7°
OAVCATH13H14122.5°122.9°
CAOCAKCAMH4176.2°179.9°
OAUCATH13H14122.5°122.8°
H2CAOCAKH30.3°0.1°
H3CAKCAMH43.8°0.0°
H8CALCAJH90.3°0.0°
H9CAJCANH100.2°0.2°

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