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ZDG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLBCAWsing1.74Å1.79Å
CAWCAVdoub1.38Å1.39ÅAromatic
CAWCAXsing1.38Å1.38ÅAromatic
CAVCAUsing1.38Å1.39ÅAromatic
CAXCAYdoub1.38Å1.38ÅAromatic
CAUCATdoub1.39Å1.39ÅAromatic
CAYCATsing1.39Å1.39ÅAromatic
CAYCLAsing1.74Å1.79Å
CATNAPsing1.40Å1.45Å
CADCAAsing1.47Å1.53Å
CADCAEsing1.53Å1.53Å
CAACABtrip1.17Å1.19Å
CANCAMdoub1.38Å1.39ÅAromatic
CANCACsing1.40Å1.38ÅAromatic
NAPNAQsing1.29Å1.38ÅAromatic
NAPCAOsing1.37Å1.33ÅAromatic
CABCACsing1.43Å1.53Å
CAMCALsing1.40Å1.39ÅAromatic
CACCAJdoub1.40Å1.38ÅAromatic
NAQCARdoub1.32Å1.33ÅAromatic
CALCAOsing1.48Å1.53Å
CALCAKdoub1.40Å1.38ÅAromatic
CAJCAKsing1.38Å1.38ÅAromatic
CAOCASdoub1.37Å1.37ÅAromatic
CARCASsing1.41Å1.37ÅAromatic
CARCBCsing1.48Å1.53Å
CASCBBsing1.51Å1.53Å
NBDCBCsing1.35Å1.46Å
NBDNBFsing1.37Å1.28Å
CBKNBFsing1.47Å1.32Å
CBKCBJsing1.53Å1.52Å
CBCOBEdoub1.22Å1.18Å
NBFCBGsing1.47Å1.33Å
CBGCBHsing1.53Å1.53Å
CBJCBIsing1.53Å1.52Å
CBICBHsing1.53Å1.53Å
CAEH1sing1.09Å1.10Å
CAEH2sing1.09Å1.10Å
CADH4sing1.09Å1.10Å
CADH5sing1.09Å1.10Å
CANH6sing1.08Å1.08Å
CAMH7sing1.08Å1.08Å
CAJH8sing1.08Å1.08Å
CAKH9sing1.08Å1.08Å
CBBH10sing1.09Å1.10Å
CBBH11sing1.09Å1.10Å
CBBH12sing1.09Å1.10Å
CAXH13sing1.08Å1.08Å
CAVH14sing1.08Å1.08Å
CAUH15sing1.08Å1.08Å
NBDH16sing0.97Å1.00Å
CBGH17sing1.09Å1.10Å
CBGH18sing1.09Å1.10Å
CBHH19sing1.09Å1.10Å
CBHH20sing1.09Å1.10Å
CBIH21sing1.09Å1.10Å
CBIH22sing1.09Å1.10Å
CBJH23sing1.09Å1.10Å
CBJH24sing1.09Å1.10Å
CBKH25sing1.09Å1.10Å
CBKH26sing1.09Å1.10Å
CAEO1sing1.43Å323.01Å
O1N1sing1.42Å0.00Å
N1O2doub1.22Å0.00Å
N1O3sing1.22Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLBCAWCAV120.3°120.0°
CLBCAWCAX119.9°119.9°
CAVCAWCAX119.9°120.1°
CAWCAVCAU120.2°120.1°
CAWCAVH14119.9°120.0°
CAWCAXCAY120.2°120.0°
CAWCAXH13119.9°119.9°
CAVCAUCAT119.7°120.0°
CAUCAVH14119.9°119.9°
CAVCAUH15120.1°120.0°
CAXCAYCAT120.0°119.9°
CAXCAYCLA119.1°120.0°
CAYCAXH13119.9°120.0°
CAUCATCAY119.9°119.9°
CAUCATNAP120.5°120.0°
CATCAUH15120.2°120.1°
CATCAYCLA120.8°120.0°
CAYCATNAP119.5°120.1°
CATNAPNAQ125.0°125.0°
CATNAPCAO126.9°125.1°
CAACADCAE109.3°109.5°
CADCAACAB176.7°179.9°
CAACADH4109.5°109.5°
CAACADH5109.5°109.5°
CADCAEH1123.7°109.5°
CADCAEH2123.7°109.4°
CAECADH4109.5°109.5°
CAECADH5109.5°109.5°
CADCAEO132.2°109.5°
CAACABCAC177.2°180.0°
CAMCANCAC119.9°120.0°
CANCAMCAL120.0°120.1°
CAMCANH6120.1°120.1°
CANCAMH7120.0°120.0°
CANCACCAB120.7°120.0°
CANCACCAJ120.0°120.0°
CACCANH6120.0°119.9°
NAQNAPCAO108.0°109.9°
NAPNAQCAR108.4°110.5°
NAPCAOCAL125.9°126.6°
NAPCAOCAS107.8°106.8°
CABCACCAJ119.3°120.0°
CAMCALCAO120.2°120.0°
CAMCALCAK119.9°120.0°
CALCAMH7120.0°120.0°
CACCAJCAK120.1°120.0°
CACCAJH8120.0°120.0°
NAQCARCAS107.7°107.4°
NAQCARCBC124.9°126.3°
CAOCALCAK119.9°120.0°
CALCAOCAS126.3°126.6°
CALCAKCAJ120.0°120.0°
CALCAKH9120.0°120.0°
CAKCAJH8119.9°120.0°
CAJCAKH9120.0°120.0°
CAOCASCAR108.1°105.5°
CAOCASCBB125.4°127.3°
CASCARCBC127.4°126.3°
CARCASCBB126.5°127.2°
CARCBCNBD118.8°119.9°
CARCBCOBE120.3°120.0°
CASCBBH10109.5°109.5°
CASCBBH11109.5°109.5°
CASCBBH12109.5°109.4°
CBCNBDNBF122.0°119.9°
NBDCBCOBE120.9°120.0°
CBCNBDH16119.1°120.1°
NBDNBFCBK107.5°111.0°
NBDNBFCBG108.0°110.9°
NBFNBDH16119.0°120.0°
NBFCBKCBJ116.2°109.5°
CBKNBFCBG112.2°111.2°
NBFCBKH25107.8°109.5°
NBFCBKH26107.7°109.4°
CBKCBJCBI113.5°109.3°
CBKCBJH23108.4°109.5°
CBKCBJH24108.5°109.5°
CBJCBKH25107.8°109.5°
CBJCBKH26107.8°109.5°
NBFCBGCBH114.4°109.5°
NBFCBGH17108.2°109.5°
NBFCBGH18108.2°109.5°
CBGCBHCBI115.1°109.3°
CBHCBGH17108.2°109.5°
CBHCBGH18108.2°109.4°
CBGCBHH19108.1°109.5°
CBGCBHH20108.1°109.5°
CBJCBICBH110.8°109.2°
CBJCBIH21109.1°109.6°
CBJCBIH22109.1°109.6°
CBICBJH23108.5°109.5°
CBICBJH24108.4°109.5°
CBICBHH19108.0°109.5°
CBICBHH20108.1°109.6°
CBHCBIH21109.1°109.6°
CBHCBIH22109.1°109.5°
H1CAEH2109.5°109.5°
H1CAEO1123.7°109.4°
H2CAEO1123.7°109.5°
H4CADH5109.5°109.4°
H10CBBH11109.5°109.5°
H10CBBH12109.5°109.5°
H11CBBH12109.5°109.5°
H17CBGH18109.5°109.5°
H19CBHH20109.4°109.5°
H21CBIH22109.5°109.5°
H23CBJH24109.5°109.5°
H25CBKH26109.5°109.5°
CAEO1N190.0°114.0°
O1N1O290.0°120.0°
O1N1O390.0°120.0°
O2N1O390.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLBCAWCAVCAX179.9°179.7°
CLBCAWCAVCAU179.9°180.0°
CLBCAWCAXCAY179.9°179.8°
CLBCAWCAXH130.1°0.2°
CLBCAWCAVH140.1°0.2°
CAWCAVCAUH14180.0°179.8°
CAVCAWCAXCAY0.0°0.0°
CAWCAVCAUCAT0.1°0.6°
CAVCAWCAXH13180.0°180.0°
CAWCAVCAUH15179.9°180.0°
CAXCAWCAVCAU0.0°0.3°
CAWCAXCAYH13180.0°180.0°
CAWCAXCAYCAT0.0°0.0°
CAWCAXCAYCLA179.9°180.0°
CAXCAWCAVH14180.0°179.9°
CAVCAUCATH15180.0°179.4°
CAVCAUCATCAY0.2°0.6°
CAVCAUCATNAP179.8°179.8°
CAXCAYCATCAU0.1°0.3°
CAXCAYCATCLA180.0°180.0°
CAXCAYCATNAP179.8°180.0°
CAUCATCAYNAP179.6°179.7°
CAUCATCAYCLA179.8°179.7°
CAUCATNAPNAQ97.8°130.9°
CAUCATNAPCAO82.9°49.4°
CATCAUCAVH14179.9°179.7°
CAYCATNAPNAQ81.8°48.8°
CAYCATNAPCAO97.5°131.0°
CATCAYCAXH13180.0°180.0°
CAYCATCAUH15179.8°180.0°
CLACAYCATNAP0.2°0.0°
CLACAYCAXH130.0°0.0°
CATNAPNAQCAO179.5°179.8°
CATNAPNAQCAR179.7°179.9°
CATNAPCAOCAL0.7°0.3°
CATNAPCAOCAS179.7°179.9°
NAPCATCAUH150.2°0.3°
CAACADCAEH4120.0°120.1°
CAACADCAEH5120.0°120.0°
CADCAACABCAC169.2°153.8°
CAACADCAEH1115.9°60.0°
CAACADCAEH241.9°60.0°
CAACADH4H5120.1°120.0°
CAACADCAEO1143.0°180.0°
CAECADCAACAB117.5°38.5°
CADCAEH1H2160.5°120.0°
CADCAEH1O138.9°120.0°
CADCAEH2O138.9°120.0°
CAECADH4H5120.1°120.0°
CADCAEO1N190.0°180.0°
CAACABCACCAN166.3°167.9°
CAACABCACCAJ14.1°12.3°
CABCAACADH4122.5°81.5°
CABCAACADH52.5°158.5°
CAMCANCACH6180.0°180.0°
CAMCANCACCAB179.7°180.0°
CANCAMCALH7180.0°180.0°
CAMCANCACCAJ0.1°0.2°
CANCAMCALCAO180.0°180.0°
CANCAMCALCAK0.1°0.2°
CANCACCABCAJ179.6°179.8°
CACCANCAMCAL0.0°0.0°
CANCACCAJCAK0.2°0.2°
CACCANCAMH7180.0°180.0°
CANCACCAJH8179.8°179.8°
NAQNAPCAOCAL179.9°180.0°
NAQNAPCAOCAS0.2°0.3°
NAPNAQCARCAS0.1°0.0°
NAPNAQCARCBC179.9°180.0°
NAPCAOCALCAM79.5°54.1°
CAONAPNAQCAR0.2°0.2°
NAPCAOCALCAS179.6°179.6°
NAPCAOCALCAK100.5°126.1°
NAPCAOCASCAR0.2°0.3°
NAPCAOCASCBB180.0°179.7°
CABCACCAJCAK179.8°180.0°
CABCACCANH60.3°0.0°
CABCACCAJH80.2°0.0°
CAMCALCAOCAK180.0°179.8°
CAMCALCAKCAJ0.0°0.2°
CAMCALCAOCAS100.0°126.3°
CALCAMCANH6179.9°180.0°
CAMCALCAKH9180.0°179.7°
CACCAJCAKCAL0.2°0.0°
CACCAJCAKH8180.0°180.0°
CAJCACCANH6179.9°179.7°
CACCAJCAKH9179.8°180.0°
NAQCARCASCAO0.1°0.2°
NAQCARCASCBC180.0°180.0°
NAQCARCASCBB179.9°179.8°
NAQCARCBCNBD51.9°0.0°
NAQCARCBCOBE128.1°179.9°
CAOCALCAKCAJ179.9°180.0°
CALCAOCASCAR179.8°180.0°
CALCAOCASCBB0.3°0.1°
CAOCALCAMH70.0°0.0°
CAOCALCAKH90.1°0.0°
CALCAKCAJH9180.0°180.0°
CAKCALCAOCAS79.9°53.5°
CAKCALCAMH7179.9°179.7°
CALCAKCAJH8179.8°180.0°
CAOCASCARCBB179.8°180.0°
CAOCASCARCBC180.0°179.8°
CAOCASCBBH1090.1°90.0°
CAOCASCBBH11149.9°149.9°
CAOCASCBBH1229.9°29.9°
CASCARCBCNBD128.1°180.0°
CASCARCBCOBE52.0°0.1°
CARCASCBBH1090.1°90.0°
CARCASCBBH1129.9°30.0°
CARCASCBBH12149.9°150.0°
CBCCARCASCBB0.2°0.1°
CARCBCNBDOBE180.0°179.9°
CARCBCNBDNBF180.0°180.0°
CARCBCNBDH160.0°0.1°
CASCBBH10H11120.0°120.0°
CASCBBH10H12120.0°120.0°
CASCBBH11H12120.0°120.0°
CBCNBDNBFH16180.0°180.0°
CBCNBDNBFCBK110.8°115.9°
CBCNBDNBFCBG127.8°120.0°
NBDNBFCBKCBG118.7°124.0°
NBDNBFCBKCBJ179.1°174.2°
NBFNBDCBCOBE0.0°0.0°
NBDNBFCBGCBH177.4°174.2°
NBDNBFCBGH1761.9°54.2°
NBDNBFCBGH1856.7°65.9°
NBDNBFCBKH2558.2°65.8°
NBDNBFCBKH2659.9°54.2°
NBFCBKCBJH25121.0°120.0°
NBFCBKCBJH26121.0°119.9°
CBKNBFCBGCBH59.1°61.8°
NBFCBKCBJCBI46.9°59.2°
CBKNBFNBDH1669.2°64.2°
CBKNBFCBGH17179.8°178.2°
CBKNBFCBGH1861.7°58.2°
NBFCBKCBJH23167.5°60.7°
NBFCBKCBJH2473.7°179.2°
NBFCBKH25H26116.9°120.0°
CBJCBKNBFCBG60.5°61.8°
CBKCBJCBIH23120.6°120.0°
CBKCBJCBIH24120.6°120.0°
CBKCBJCBICBH31.6°57.7°
CBKCBJCBIH2188.6°177.6°
CBKCBJCBIH22151.9°62.2°
CBKCBJH23H24118.1°120.1°
CBJCBKH25H26117.0°120.0°
OBECBCNBDH16180.0°180.0°
NBFCBGCBHH17120.7°120.0°
NBFCBGCBHH18120.7°120.0°
NBFCBGCBHCBI46.0°59.2°
CBGNBFNBDH1652.1°60.0°
NBFCBGH17H18117.8°120.0°
NBFCBGCBHH1974.8°60.8°
NBFCBGCBHH20166.9°179.2°
CBGNBFCBKH2560.5°58.2°
CBGNBFCBKH26178.5°178.2°
CBGCBHCBICBJ31.9°57.7°
CBGCBHCBIH19120.8°119.9°
CBGCBHCBIH20120.8°120.0°
CBHCBGH17H18117.8°120.0°
CBGCBHH19H20117.4°120.1°
CBGCBHCBIH2188.3°177.6°
CBGCBHCBIH22152.2°62.3°
CBJCBICBHH21120.2°120.0°
CBJCBICBHH22120.2°120.0°
CBJCBICBHH1988.9°62.3°
CBJCBICBHH20152.8°177.6°
CBJCBIH21H22119.4°120.2°
CBICBJH23H24118.1°120.1°
CBICBJCBKH2574.1°60.8°
CBICBJCBKH26167.9°179.2°
CBICBHCBGH17166.8°179.2°
CBICBHCBGH1874.7°60.8°
CBICBHH19H20117.5°120.1°
CBHCBIH21H22119.4°120.1°
CBHCBICBJH23152.2°62.3°
CBHCBICBJH2489.0°177.6°
H1CAEH2O1160.6°120.0°
H1CAECADH4124.1°60.0°
H1CAECADH54.1°180.0°
H1CAEO1N190.0°60.0°
H2CAECADH478.1°179.9°
H2CAECADH5161.8°60.0°
H2CAEO1N190.0°60.0°
H4CADCAEO123.0°60.0°
H5CADCAEO197.0°60.0°
H6CANCAMH70.0°0.0°
H8CAJCAKH90.2°0.0°
H10CBBH11H12120.0°120.0°
H14CAVCAUH150.1°0.2°
H17CBGCBHH1945.9°59.2°
H17CBGCBHH2072.4°60.8°
H18CBGCBHH19164.5°179.3°
H18CBGCBHH2046.1°59.2°
H19CBHCBIH21150.9°57.7°
H19CBHCBIH2231.3°177.8°
H20CBHCBIH2132.6°62.4°
H20CBHCBIH2287.0°57.7°
H21CBICBJH2332.0°57.6°
H21CBICBJH24150.8°62.4°
H22CBICBJH2387.5°177.8°
H22CBICBJH2431.2°57.7°
H23CBJCBKH2546.5°179.2°
H23CBJCBKH2671.5°59.2°
H24CBJCBKH25165.3°59.1°
H24CBJCBKH2647.2°60.9°
CAEO1N1O290.0°0.0°
CAEO1N1O390.0°180.0°
O1N1O2O390.0°180.0°

224931

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