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GZW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBICBHsing1.53Å1.54Å
CBICBDsing1.53Å1.48Å
CBHNBGsing1.47Å1.47Å
NARCASdoub1.32Å1.40ÅAromatic
NARCAQsing1.32Å1.34ÅAromatic
NBGCBFsing1.47Å1.44Å
CASCATsing1.39Å1.39ÅAromatic
OAACABdoub1.22Å1.24Å
CBDCAQsing1.51Å1.55Å
CBDCBEsing1.53Å1.52Å
CAQCAPdoub1.37Å1.38ÅAromatic
CATCABsing1.47Å1.41Å
CATCAOdoub1.41Å1.42ÅAromatic
CABNACsing1.35Å1.38Å
CBECBFsing1.53Å1.54Å
CAPCAOsing1.39Å1.42ÅAromatic
CAOCANsing1.47Å1.43Å
NACCADsing1.46Å1.48Å
NACCAUsing1.35Å1.42Å
CADCAEsing1.51Å1.58Å
CAFCAGdoub1.38Å1.42ÅAromatic
CAFCAEsing1.38Å1.43ÅAromatic
CAGCAHsing1.38Å1.36ÅAromatic
CANCAUdoub1.36Å1.40Å
CANCAMsing1.47Å1.45Å
CAECAJdoub1.38Å1.42ÅAromatic
CAMNAVsing1.35Å1.38Å
CAMOALdoub1.22Å1.23Å
NAVCAWsing1.41Å1.36Å
CAHCL2sing1.74Å1.76Å
CAHCAIdoub1.38Å1.36ÅAromatic
CAJCAIsing1.38Å1.40ÅAromatic
CAICL1sing1.74Å1.80Å
CAWCAXsing1.40Å1.36ÅAromatic
CAWCBBdoub1.36Å1.34ÅAromatic
CAXNAYdoub1.31Å1.35ÅAromatic
CBBNAZsing1.36Å1.33ÅAromatic
NAYNAZsing1.40Å1.36ÅAromatic
NAZCBAsing1.47Å1.48Å
CBAH1sing1.09Å1.10Å
CBAH2sing1.09Å1.10Å
CBAH3sing1.09Å1.10Å
CBBH4sing1.08Å1.08Å
CAXH5sing1.08Å1.08Å
NAVH6sing0.97Å1.00Å
CAUH7sing1.08Å1.08Å
CAPH8sing1.08Å1.08Å
CBDH9sing1.09Å1.10Å
CBEH10sing1.09Å1.10Å
CBEH11sing1.09Å1.10Å
CBFH12sing1.09Å1.10Å
CBFH13sing1.09Å1.10Å
NBGH14sing1.01Å1.00Å
CBHH16sing1.09Å1.10Å
CBHH17sing1.09Å1.10Å
CBIH18sing1.09Å1.10Å
CBIH19sing1.09Å1.10Å
CASH20sing1.08Å1.08Å
CADH21sing1.09Å1.10Å
CADH22sing1.09Å1.10Å
CAJH23sing1.08Å1.08Å
CAGH24sing1.08Å1.08Å
CAFH25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBHCBICBD104.7°109.3°
CBICBHNBG112.8°109.5°
CBICBHH16108.6°109.5°
CBICBHH17108.6°109.5°
CBHCBIH18110.7°109.5°
CBHCBIH19110.7°109.5°
CBICBDCAQ113.2°109.5°
CBICBDCBE108.5°109.1°
CBICBDH9110.1°109.5°
CBDCBIH18110.6°109.5°
CBDCBIH19110.7°109.5°
CBHNBGCBF109.7°111.2°
CBHNBGH14109.4°111.0°
NBGCBHH16108.6°109.5°
NBGCBHH17108.6°109.4°
CASNARCAQ117.6°122.6°
NARCASCAT121.6°119.8°
NARCASH20119.2°120.1°
NARCAQCBD118.3°119.1°
NARCAQCAP122.4°121.7°
NBGCBFCBE107.9°109.5°
NBGCBFH12109.9°109.5°
NBGCBFH13109.9°109.4°
CBFNBGH14109.4°111.0°
CASCATCAB119.0°122.8°
CASCATCAO121.2°118.9°
CATCASH20119.2°120.1°
OAACABCAT122.7°120.2°
OAACABNAC118.8°120.3°
CAQCBDCBE106.0°109.6°
CBDCAQCAP119.1°119.2°
CAQCBDH9109.2°109.6°
CBDCBECBF113.1°109.3°
CBECBDH9109.6°109.5°
CBDCBEH10108.5°109.6°
CBDCBEH11108.5°109.5°
CAQCAPCAO122.9°118.5°
CAQCAPH8118.5°120.7°
CABCATCAO119.7°118.3°
CATCABNAC118.5°119.5°
CATCAOCAP114.2°118.6°
CATCAOCAN122.4°118.4°
CABNACCAD118.4°118.7°
CABNACCAU121.6°122.6°
CBFCBEH10108.6°109.5°
CBFCBEH11108.5°109.5°
CBECBFH12109.9°109.4°
CBECBFH13109.9°109.4°
CAPCAOCAN123.4°123.0°
CAOCAPH8118.6°120.8°
CAOCANCAU115.6°118.9°
CAOCANCAM126.8°120.6°
CADNACCAU119.9°118.7°
NACCADCAE102.5°109.5°
NACCADH21111.2°109.4°
NACCADH22111.2°109.5°
NACCAUCAN122.1°122.2°
NACCAUH7119.0°118.9°
CADCAECAF120.1°120.0°
CADCAECAJ123.2°120.0°
CAECADH21111.2°109.5°
CAECADH22111.2°109.5°
CAGCAFCAE123.3°120.1°
CAFCAGCAH116.8°120.0°
CAFCAGH24121.6°120.0°
CAGCAFH25118.4°120.0°
CAFCAECAJ116.8°120.0°
CAECAFH25118.3°119.9°
CAGCAHCL2115.9°120.1°
CAGCAHCAI121.6°120.0°
CAHCAGH24121.6°120.0°
CAUCANCAM117.6°120.5°
CANCAUH7118.9°118.9°
CANCAMNAV115.3°120.0°
CANCAMOAL119.0°120.0°
CAECAJCAI117.4°120.0°
CAECAJH23121.3°119.9°
NAVCAMOAL125.6°120.0°
CAMNAVCAW126.7°120.0°
CAMNAVH6116.6°120.0°
NAVCAWCAX122.0°126.1°
NAVCAWCBB130.5°126.1°
CAWNAVH6116.7°120.0°
CL2CAHCAI122.4°120.0°
CAHCAICAJ124.0°119.9°
CAHCAICL1116.3°120.0°
CAJCAICL1119.7°120.0°
CAICAJH23121.3°120.0°
CAXCAWCBB107.4°107.8°
CAWCAXNAY110.2°108.4°
CAWCAXH5124.9°125.8°
CAWCBBNAZ107.0°107.5°
CAWCBBH4126.5°126.2°
CAXNAYNAZ103.9°108.4°
NAYCAXH5124.9°125.8°
CBBNAZNAY111.5°107.9°
CBBNAZCBA128.4°126.0°
NAZCBBH4126.5°126.2°
NAYNAZCBA120.0°126.1°
NAZCBAH1109.5°109.5°
NAZCBAH2109.5°109.5°
NAZCBAH3109.5°109.5°
H1CBAH2109.5°109.5°
H1CBAH3109.4°109.5°
H2CBAH3109.5°109.4°
H10CBEH11109.5°109.5°
H12CBFH13109.4°109.5°
H16CBHH17109.5°109.5°
H18CBIH19109.5°109.5°
H21CADH22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBHCBICBDH18119.2°120.0°
CBHCBICBDH19119.2°120.0°
CBICBHNBGH16120.5°120.0°
CBICBHNBGH17120.5°120.0°
CBICBHNBGCBF64.4°61.8°
CBHCBICBDCAQ176.7°177.6°
CBHCBICBDCBE59.3°57.7°
CBHCBICBDH960.8°62.3°
CBICBHNBGH14175.6°174.2°
CBICBHH16H17118.5°120.0°
CBHCBIH18H19122.2°120.2°
CBDCBICBHNBG64.4°59.2°
CBICBDCAQNAR43.8°145.3°
CBICBDCAQCBE118.9°119.7°
CBICBDCAQH9123.1°120.1°
CBICBDCBEH9120.3°119.9°
CBICBDCAQCAP140.5°34.7°
CBICBDCBECBF59.4°57.7°
CBICBDCBEH1061.1°62.4°
CBICBDCBEH11179.9°177.6°
CBDCBICBHH1656.1°179.2°
CBDCBICBHH17175.1°60.8°
CBDCBIH18H19122.2°120.0°
CBHNBGCBFH14120.0°124.0°
CBHNBGCBFCBE56.1°61.7°
CBHNBGCBFH1263.6°178.3°
CBHNBGCBFH13175.9°58.2°
NBGCBHH16H17118.5°120.0°
NBGCBHCBIH1854.8°179.1°
NBGCBHCBIH19176.3°60.7°
NARCASCATH20180.0°180.0°
CASNARCAQCBD179.6°180.0°
CASNARCAQCAP4.1°0.0°
NARCASCATCAB179.8°180.0°
NARCASCATCAO3.5°0.0°
CAQNARCASCAT5.4°0.0°
NARCAQCBDCAP175.7°179.9°
NARCAQCBDCBE75.1°95.0°
NARCAQCAPCAO0.9°0.0°
NARCAQCAPH8179.1°180.0°
NARCAQCBDH9166.9°25.2°
CAQNARCASH20174.6°180.0°
NBGCBFCBECBD56.1°59.2°
NBGCBFCBEH12119.8°120.0°
NBGCBFCBEH13119.8°119.9°
NBGCBFCBEH1064.4°60.8°
NBGCBFCBEH11176.6°179.1°
NBGCBFH12H13120.7°120.0°
CBFNBGCBHH1656.1°178.2°
CBFNBGCBHH17175.1°58.2°
CASCATCABOAA1.7°0.1°
CASCATCABCAO176.8°180.0°
CASCATCABNAC179.5°179.7°
CASCATCAOCAP0.3°0.0°
CASCATCAOCAN177.1°180.0°
OAACABCATNAC177.8°179.6°
OAACABCATCAO178.4°179.9°
OAACABNACCAD5.2°0.4°
OAACABNACCAU177.3°179.8°
CAQCBDCBEH9117.7°120.2°
CAQCBDCBECBF178.7°177.5°
CBDCAQCAPCAO176.4°180.0°
CBDCAQCAPH83.6°0.1°
CAQCBDCBEH1060.8°57.5°
CAQCBDCBEH1158.1°62.5°
CAQCBDCBIH1857.4°62.5°
CAQCBDCBIH1964.1°57.6°
CBECBDCAQCAP100.6°84.9°
CBDCBECBFH10120.5°120.1°
CBDCBECBFH11120.5°119.9°
CBDCBEH10H11118.3°120.0°
CBDCBECBFH1263.7°179.3°
CBDCBECBFH13175.9°60.7°
CBECBDCBIH1860.0°177.6°
CBECBDCBIH19178.5°62.3°
CAQCAPCAOCAT1.1°0.0°
CAQCAPCAOH8180.0°179.9°
CAQCAPCAOCAN178.4°180.0°
CAPCAQCBDH917.5°154.9°
CABCATCAOCAP177.0°180.0°
CABCATCAOCAN0.4°0.0°
CATCABNACCAD172.7°179.9°
CATCABNACCAU4.8°0.7°
CABCATCASH200.2°0.0°
CAOCATCABNAC3.7°0.4°
CATCAOCAPCAN177.4°180.0°
CATCAOCANCAU1.8°0.1°
CATCAOCANCAM177.0°179.7°
CATCAOCAPH8178.9°179.9°
CAOCATCASH20176.5°180.0°
CABNACCADCAU177.6°179.4°
CABNACCADCAE78.7°90.0°
CABNACCAUCAN2.6°0.6°
CABNACCAUH7177.4°179.3°
CABNACCADH2140.2°150.0°
CABNACCADH22162.4°30.0°
CBFCBECBDH960.9°62.2°
CBFCBEH10H11118.3°120.1°
CBECBFH12H13120.7°119.9°
CBECBFNBGH14176.2°174.2°
CAPCAOCANCAU178.9°180.0°
CAPCAOCANCAM0.2°0.3°
CAOCANCAUNAC0.7°0.2°
CAOCANCAUCAM178.8°179.8°
CAOCANCAMNAV142.7°174.9°
CAOCANCAMOAL40.7°5.0°
CAOCANCAUH7179.3°179.7°
CANCAOCAPH81.6°0.1°
NACCADCAEH21118.9°120.0°
NACCADCAEH22118.9°120.1°
NACCADCAECAF104.1°90.3°
CADNACCAUCAN174.9°180.0°
NACCADCAECAJ75.8°89.9°
CADNACCAUH75.1°0.1°
NACCADH21H22123.2°120.0°
CAUNACCADCAE98.9°90.6°
NACCAUCANH7180.0°179.9°
NACCAUCANCAM178.1°180.0°
CAUNACCADH21142.3°29.4°
CAUNACCADH2220.0°149.4°
CADCAECAFCAG176.7°179.7°
CADCAECAFCAJ179.9°179.8°
CADCAECAJCAI178.6°180.0°
CAECADH21H22123.2°120.0°
CADCAECAJH231.5°0.0°
CADCAECAFH253.3°0.3°
CAGCAFCAEH25180.0°179.5°
CAFCAGCAHH24180.0°179.8°
CAGCAFCAECAJ3.2°0.5°
CAFCAGCAHCL2179.4°179.7°
CAFCAGCAHCAI3.7°0.2°
CAECAFCAGCAH4.4°0.5°
CAFCAECAJCAI1.4°0.2°
CAFCAECADH2114.8°149.7°
CAFCAECADH22137.0°29.8°
CAFCAECAJH23178.6°179.8°
CAECAFCAGH24175.6°179.7°
CAGCAHCL2CAI175.6°179.9°
CAGCAHCAICAJ2.2°0.1°
CAGCAHCAICL1178.8°179.9°
CAHCAGCAFH25175.6°179.9°
CAUCANCAMNAV36.0°5.3°
CAUCANCAMOAL140.6°174.7°
CANCAMNAVOAL176.3°180.0°
CANCAMNAVCAW174.8°174.7°
CANCAMNAVH65.3°5.2°
CAMCANCAUH71.9°0.1°
CAECAJCAICAH0.9°0.0°
CAECAJCAIH23180.0°180.0°
CAECAJCAICL1179.9°180.0°
CAJCAECADH21165.3°30.0°
CAJCAECADH2243.0°150.0°
CAJCAECAFH25176.8°180.0°
CAMNAVCAWH6180.0°179.9°
CAMNAVCAWCAX179.3°0.0°
CAMNAVCAWCBB0.9°180.0°
OALCAMNAVCAW1.6°5.3°
OALCAMNAVH6178.4°174.8°
NAVCAWCAXCBB179.9°180.0°
NAVCAWCAXNAY179.8°180.0°
NAVCAWCBBNAZ178.8°179.8°
NAVCAWCBBH41.2°0.2°
NAVCAWCAXH50.2°0.2°
CL2CAHCAICAJ177.5°180.0°
CL2CAHCAICL13.5°0.0°
CL2CAHCAGH240.6°0.1°
CAHCAICAJCL1179.0°180.0°
CAHCAICAJH23179.1°180.0°
CAICAHCAGH24176.2°180.0°
CL1CAICAJH230.1°0.0°
CAWCAXNAYH5180.0°179.8°
CAXCAWCBBNAZ1.1°0.1°
CAWCAXNAYNAZ0.8°0.2°
CAXCAWCBBH4178.9°179.8°
CAXCAWNAVH60.7°179.9°
CBBCAWCAXNAY0.1°0.1°
CAWCBBNAZH4180.0°180.0°
CAWCBBNAZNAY1.7°0.2°
CAWCBBNAZCBA178.4°180.0°
CBBCAWCAXH5179.9°179.9°
CBBCAWNAVH6179.1°0.0°
CAXNAYNAZCBB1.6°0.3°
CAXNAYNAZCBA178.6°180.0°
CBBNAZNAYCBA177.1°179.8°
CBBNAZCBAH1176.5°90.0°
CBBNAZCBAH256.5°150.0°
CBBNAZCBAH363.5°30.1°
NAYNAZCBAH10.0°90.3°
NAYNAZCBAH2120.0°29.7°
NAYNAZCBAH3120.0°149.6°
NAYNAZCBBH4178.3°179.7°
NAZNAYCAXH5179.2°180.0°
NAZCBAH1H2120.0°120.0°
NAZCBAH1H3120.0°120.0°
NAZCBAH2H3120.0°119.9°
CBANAZCBBH41.6°0.0°
H1CBAH2H3119.9°120.0°
H9CBDCBEH10178.5°177.8°
H9CBDCBEH1159.6°57.7°
H9CBDCBIH18180.0°57.7°
H9CBDCBIH1958.5°177.8°
H10CBECBFH12175.8°59.2°
H10CBECBFH1355.3°179.2°
H11CBECBFH1256.8°60.8°
H11CBECBFH1363.6°59.2°
H12CBFNBGH1456.4°54.2°
H13CBFNBGH1464.1°65.9°
H14NBGCBHH1663.9°54.2°
H14NBGCBHH1755.1°65.8°
H16CBHCBIH18175.3°60.9°
H16CBHCBIH1963.2°59.3°
H17CBHCBIH1865.7°59.1°
H17CBHCBIH1955.8°179.3°
H24CAGCAFH254.4°0.2°

224931

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