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63D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAPCAOsing1.53Å1.53Å
CAPCAQsing1.53Å1.50Å
CAOCANsing1.53Å1.52Å
CAACANsing1.53Å1.53Å
CAQCARsing1.53Å1.50Å
CARCASsing1.53Å1.52Å
CASCATsing1.53Å1.53Å
CATCAUsing1.53Å1.51Å
CAUCAVsing1.53Å1.53Å
CAVOAXsing1.43Å1.41Å
OAXCBCsing1.36Å1.36Å
CBCCAKdoub1.39Å1.40ÅAromatic
CBCCAJsing1.39Å1.39ÅAromatic
CAKCBBsing1.38Å1.41ÅAromatic
CAJCBAdoub1.39Å1.39ÅAromatic
CBBCAWsing1.51Å1.40Å
CBBCAIdoub1.38Å1.39ÅAromatic
CBACAIsing1.39Å1.38ÅAromatic
CBAOAGsing1.36Å1.37Å
OACCAZdoub1.21Å1.26Å
OAFCAZsing1.35Å1.26Å
CAWOAYsing1.43Å1.50Å
CAZCBFsing1.47Å1.37Å
CBFCAMdoub1.40Å1.36ÅAromatic
CBFCBEsing1.40Å1.39ÅAromatic
OAYCBEsing1.36Å1.41Å
CAMCBGsing1.38Å1.33ÅAromatic
CBECALdoub1.39Å1.42ÅAromatic
NABSBHsing1.66Å1.56Å
OADSBHdoub1.42Å1.53Å
CBGSBHsing1.76Å1.77Å
CBGCBDdoub1.39Å1.39ÅAromatic
SBHOAEdoub1.42Å1.54Å
CALCBDsing1.38Å1.42ÅAromatic
CBDCL1sing1.74Å1.66Å
OAFH1sing0.97Å0.95Å
CAMH2sing1.08Å1.08Å
NABH3sing0.97Å1.00Å
NABH4sing0.97Å1.00Å
CALH5sing1.08Å1.08Å
CAWH6sing1.09Å1.10Å
CAWH7sing1.09Å1.10Å
CAKH8sing1.08Å1.08Å
CAIH9sing1.08Å1.08Å
OAGH10sing0.97Å0.95Å
CAJH11sing1.08Å1.08Å
CAVH12sing1.09Å1.10Å
CAVH13sing1.09Å1.10Å
CAUH14sing1.09Å1.10Å
CAUH15sing1.09Å1.10Å
CATH16sing1.09Å1.10Å
CATH17sing1.09Å1.10Å
CASH18sing1.09Å1.10Å
CASH19sing1.09Å1.10Å
CARH20sing1.09Å1.10Å
CARH21sing1.09Å1.10Å
CAQH22sing1.09Å1.10Å
CAQH23sing1.09Å1.10Å
CAPH24sing1.09Å1.10Å
CAPH25sing1.09Å1.10Å
CAOH26sing1.09Å1.10Å
CAOH27sing1.09Å1.10Å
CANH28sing1.09Å1.10Å
CANH29sing1.09Å1.10Å
CAAH30sing1.09Å1.10Å
CAAH31sing1.09Å1.10Å
CAAH32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAOCAPCAQ105.2°109.4°
CAPCAOCAN109.1°109.4°
CAOCAPH24110.5°109.5°
CAOCAPH25110.5°109.5°
CAPCAOH26109.6°109.4°
CAPCAOH27109.6°109.4°
CAPCAQCAR109.9°109.4°
CAPCAQH22109.4°109.5°
CAPCAQH23109.3°109.5°
CAQCAPH24110.5°109.5°
CAQCAPH25110.5°109.5°
CAOCANCAA109.2°109.4°
CANCAOH26109.5°109.5°
CANCAOH27109.6°109.5°
CAOCANH28109.6°109.5°
CAOCANH29109.5°109.5°
CAACANH28109.5°109.5°
CAACANH29109.5°109.5°
CANCAAH30109.5°109.4°
CANCAAH31109.5°109.5°
CANCAAH32109.5°109.4°
CAQCARCAS105.6°109.4°
CAQCARH20110.4°109.5°
CAQCARH21110.5°109.5°
CARCAQH22109.4°109.5°
CARCAQH23109.4°109.5°
CARCASCAT112.3°109.5°
CARCASH18108.8°109.5°
CARCASH19108.8°109.5°
CASCARH20110.4°109.5°
CASCARH21110.4°109.5°
CASCATCAU105.0°109.4°
CASCATH16110.6°109.4°
CASCATH17110.6°109.4°
CATCASH18108.8°109.4°
CATCASH19108.8°109.4°
CATCAUCAV115.5°109.4°
CATCAUH14108.0°109.5°
CATCAUH15108.0°109.5°
CAUCATH16110.6°109.5°
CAUCATH17110.6°109.5°
CAUCAVOAX100.5°109.4°
CAUCAVH12111.7°109.4°
CAUCAVH13111.7°109.4°
CAVCAUH14107.9°109.4°
CAVCAUH15107.9°109.4°
CAVOAXCBC124.2°116.9°
OAXCAVH12111.7°109.5°
OAXCAVH13111.7°109.5°
OAXCBCCAK127.0°120.0°
OAXCBCCAJ112.7°120.1°
CAKCBCCAJ119.2°120.0°
CBCCAKCBB118.2°120.0°
CBCCAKH8120.9°120.0°
CBCCAJCBA122.3°119.9°
CBCCAJH11118.8°120.1°
CAKCBBCAW123.2°120.0°
CAKCBBCAI120.7°120.1°
CBBCAKH8120.9°120.0°
CAJCBACAI118.0°119.9°
CAJCBAOAG121.6°120.0°
CBACAJH11118.8°120.0°
CAWCBBCAI116.1°119.9°
CBBCAWOAY118.1°109.5°
CBBCAWH6107.3°109.5°
CBBCAWH7107.3°109.4°
CBBCAICBA121.0°120.0°
CBBCAIH9119.5°120.0°
CAICBAOAG120.4°120.1°
CBACAIH9119.5°120.0°
CBAOAGH10109.5°114.0°
OACCAZOAF120.1°120.0°
OACCAZCBF116.2°120.0°
OAFCAZCBF119.1°120.0°
CAZOAFH1109.5°117.0°
CAWOAYCBE122.9°117.0°
OAYCAWH6107.3°109.5°
OAYCAWH7107.3°109.4°
CAZCBFCAM101.7°120.2°
CAZCBFCBE135.9°120.2°
CAMCBFCBE119.5°119.7°
CBFCAMCBG127.0°119.9°
CBFCAMH2116.5°120.1°
CBFCBEOAY120.0°120.1°
CBFCBECAL114.4°119.7°
OAYCBECAL123.9°120.2°
CAMCBGSBH104.4°119.8°
CAMCBGCBD116.5°120.3°
CBGCAMH2116.5°120.1°
CBECALCBD122.9°120.1°
CBECALH5118.6°119.9°
NABSBHOAD106.0°106.4°
NABSBHCBG108.1°107.2°
NABSBHOAE107.8°106.4°
SBHNABH3109.5°120.0°
SBHNABH4109.5°120.0°
OADSBHCBG107.3°106.4°
OADSBHOAE111.2°123.2°
SBHCBGCBD139.0°119.9°
CBGSBHOAE115.9°106.4°
CBGCBDCAL118.6°120.4°
CBGCBDCL1119.4°119.8°
CALCBDCL1122.0°119.9°
CBDCALH5118.6°119.9°
H3NABH4109.5°120.0°
H6CAWH7109.4°109.4°
H12CAVH13109.4°109.5°
H14CAUH15109.5°109.5°
H16CATH17109.5°109.4°
H18CASH19109.5°109.5°
H20CARH21109.4°109.5°
H22CAQH23109.5°109.5°
H24CAPH25109.5°109.5°
H26CAOH27109.5°109.5°
H28CANH29109.5°109.5°
H30CAAH31109.4°109.5°
H30CAAH32109.5°109.4°
H31CAAH32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAOCAPCAQH24119.3°119.9°
CAOCAPCAQH25119.3°120.0°
CAPCAOCANH26119.9°119.9°
CAPCAOCANH27120.0°120.0°
CAPCAOCANCAA178.6°180.0°
CAOCAPCAQCAR177.4°180.0°
CAOCAPCAQH2262.5°60.1°
CAOCAPCAQH2357.4°60.0°
CAOCAPH24H25122.0°120.0°
CAPCAOH26H27120.2°120.0°
CAPCAOCANH2858.7°60.0°
CAPCAOCANH2961.4°60.0°
CAQCAPCAOCAN63.6°180.0°
CAPCAQCARH22120.1°120.0°
CAPCAQCARH23120.0°120.0°
CAPCAQCARCAS178.3°180.0°
CAPCAQCARH2062.4°60.0°
CAPCAQCARH2158.9°60.0°
CAPCAQH22H23119.8°120.1°
CAQCAPH24H25122.0°120.0°
CAQCAPCAOH2656.3°60.1°
CAQCAPCAOH27176.4°60.0°
CAOCANCAAH28120.0°120.0°
CAOCANCAAH29120.0°120.0°
CANCAOCAPH2455.7°60.0°
CANCAOCAPH25177.1°60.0°
CANCAOH26H27120.2°120.1°
CAOCANH28H29120.1°120.0°
CAOCANCAAH30180.0°60.1°
CAOCANCAAH3160.0°60.0°
CAOCANCAAH3260.0°180.0°
CAACANCAOH2661.4°60.1°
CAACANCAOH2758.7°60.0°
CAACANH28H29120.1°120.0°
CANCAAH30H31120.0°120.0°
CANCAAH30H32120.0°119.9°
CANCAAH31H32120.0°120.0°
CAQCARCASH20119.4°120.0°
CAQCARCASH21119.4°120.0°
CAQCARCASCAT57.5°180.0°
CAQCARCASH18177.9°60.1°
CAQCARCASH1962.9°60.0°
CAQCARH20H21121.8°120.0°
CARCAQH22H23119.8°120.0°
CARCAQCAPH2458.1°60.1°
CARCAQCAPH2563.2°60.0°
CARCASCATH18120.4°120.0°
CARCASCATH19120.4°120.0°
CARCASCATCAU178.2°180.0°
CARCASCATH1662.6°60.0°
CARCASCATH1758.9°60.0°
CARCASH18H19118.7°120.1°
CASCARH20H21121.8°120.0°
CASCARCAQH2258.2°60.0°
CASCARCAQH2361.7°60.0°
CASCATCAUH16119.3°120.0°
CASCATCAUH17119.3°120.0°
CASCATCAUCAV177.8°180.0°
CASCATCAUH1461.4°60.1°
CASCATCAUH1556.9°60.0°
CASCATH16H17122.1°119.9°
CATCASH18H19118.7°119.9°
CATCASCARH2061.9°60.0°
CATCASCARH21177.0°60.0°
CATCAUCAVH14120.9°120.0°
CATCAUCAVH15120.9°120.0°
CATCAUCAVOAX177.8°180.0°
CATCAUCAVH1263.7°60.0°
CATCAUCAVH1359.2°60.0°
CATCAUH14H15117.3°120.1°
CAUCATH16H17122.1°120.1°
CAUCATCASH1857.8°60.0°
CAUCATCASH1961.4°60.0°
CAUCAVOAXH12118.6°120.0°
CAUCAVOAXH13118.6°119.9°
CAUCAVOAXCBC153.7°180.0°
CAUCAVH12H13124.2°119.9°
CAVCAUH14H15117.2°119.9°
CAVCAUCATH1658.5°60.0°
CAVCAUCATH1762.9°60.0°
CAVOAXCBCCAK1.5°180.0°
CAVOAXCBCCAJ166.8°0.0°
OAXCAVH12H13124.2°120.1°
OAXCAVCAUH1456.9°60.0°
OAXCAVCAUH1561.3°60.0°
OAXCBCCAKCAJ167.6°180.0°
OAXCBCCAKCBB176.2°180.0°
OAXCBCCAJCBA176.4°179.7°
OAXCBCCAKH83.7°0.0°
OAXCBCCAJH113.5°0.0°
CBCOAXCAVH1287.8°60.0°
CBCOAXCAVH1335.1°60.0°
CBCCAKCBBH8180.0°180.0°
CAKCBCCAJCBA7.2°0.2°
CBCCAKCBBCAW175.3°180.0°
CBCCAKCBBCAI6.2°0.3°
CAKCBCCAJH11172.8°180.0°
CAJCBCCAKCBB8.6°0.0°
CBCCAJCBAH11180.0°179.8°
CBCCAJCBACAI2.8°0.3°
CBCCAJCBAOAG177.0°179.8°
CAJCBCCAKH8171.3°180.0°
CAKCBBCAWCAI178.6°179.7°
CAKCBBCAICBA2.0°0.3°
CAKCBBCAWOAY142.4°89.7°
CAKCBBCAWH621.2°150.2°
CAKCBBCAWH796.4°30.3°
CAKCBBCAIH9178.0°179.7°
CAJCBACAICBB0.2°0.0°
CAJCBACAIOAG179.8°179.9°
CAJCBACAIH9179.9°180.0°
CAJCBAOAGH10180.0°90.0°
CAWCBBCAICBA179.4°180.0°
CBBCAWOAYH6121.3°120.1°
CBBCAWOAYH7121.3°120.0°
CBBCAWOAYCBE162.8°180.0°
CBBCAWH6H7116.1°120.0°
CAWCBBCAKH84.8°0.0°
CAWCBBCAIH90.6°0.0°
CBBCAICBAH9180.0°180.0°
CBBCAICBAOAG179.6°179.9°
CAICBBCAWOAY39.0°90.0°
CAICBBCAWH6160.3°30.0°
CAICBBCAWH782.2°150.0°
CAICBBCAKH8173.8°179.7°
CAICBAOAGH100.3°89.9°
CAICBACAJH11177.2°180.0°
OAGCBACAIH90.4°0.1°
OAGCBACAJH113.0°0.0°
OACCAZOAFCBF155.0°179.8°
OACCAZCBFCAM29.1°180.0°
OACCAZCBFCBE171.3°0.3°
OACCAZOAFH10.0°0.1°
OAFCAZCBFCAM126.8°0.2°
OAFCAZCBFCBE32.8°179.5°
CAWOAYCBECBF0.6°180.0°
CAWOAYCBECAL163.6°0.2°
OAYCAWH6H7116.1°119.9°
CAZCBFCAMCBE163.8°179.7°
CAZCBFCBEOAY24.7°0.0°
CAZCBFCAMCBG173.8°179.9°
CAZCBFCBECAL169.8°179.8°
CBFCAZOAFH1155.0°179.8°
CAZCBFCAMH26.2°0.1°
CAMCBFCBEOAY178.4°179.7°
CBFCAMCBGH2180.0°180.0°
CAMCBFCBECAL12.9°0.6°
CBFCAMCBGSBH175.5°180.0°
CBFCAMCBGCBD2.2°0.0°
CBFCBEOAYCAL164.1°179.8°
CBECBFCAMCBG10.0°0.3°
CBFCBECALCBD9.9°0.6°
CBECBFCAMH2170.0°179.7°
CBFCBECALH5170.2°179.7°
OAYCBECALCBD174.8°179.7°
OAYCBECALH55.2°0.0°
CBEOAYCAWH641.6°59.9°
CBEOAYCAWH775.9°60.0°
CAMCBGSBHNAB62.0°115.1°
CAMCBGSBHOAD52.0°131.4°
CAMCBGSBHCBD176.9°180.0°
CAMCBGSBHOAE177.0°1.5°
CAMCBGCBDCAL1.4°0.0°
CAMCBGCBDCL1178.7°180.0°
CBECALCBDCBG2.9°0.3°
CBECALCBDH5180.0°179.7°
CBECALCBDCL1177.0°179.7°
NABSBHOADCBG115.3°114.1°
NABSBHOADOAE116.9°123.0°
NABSBHCBGOAE121.1°113.5°
NABSBHCBGCBD115.0°65.0°
SBHNABH3H4120.0°179.9°
OADSBHCBGOAE124.9°132.9°
OADSBHCBGCBD131.0°48.5°
OADSBHNABH3180.0°113.6°
OADSBHNABH460.0°66.5°
SBHCBGCBDCAL178.1°180.0°
SBHCBGCBDCL12.1°0.0°
SBHCBGCAMH24.5°0.0°
CBGSBHNABH365.2°0.0°
CBGSBHNABH454.9°179.9°
CBDCBGSBHOAE6.1°178.5°
CBGCBDCALCL1179.9°179.9°
CBDCBGCAMH2177.8°180.0°
CBGCBDCALH5177.2°180.0°
OAESBHNABH360.8°113.5°
OAESBHNABH4179.2°66.4°
CL1CBDCALH52.9°0.0°
H12CAVCAUH14175.5°180.0°
H12CAVCAUH1557.2°60.0°
H13CAVCAUH1461.6°60.0°
H13CAVCAUH15179.9°180.0°
H14CAUCATH16179.4°180.0°
H14CAUCATH1758.0°59.9°
H15CAUCATH1662.3°59.9°
H15CAUCATH17176.2°180.0°
H16CATCASH18177.0°180.0°
H16CATCASH1957.9°60.1°
H17CATCASH1861.5°60.0°
H17CATCASH19179.3°180.0°
H18CASCARH2058.6°179.9°
H18CASCARH2162.6°60.0°
H19CASCARH20177.7°60.0°
H19CASCARH2156.5°180.0°
H20CARCAQH22177.5°180.0°
H20CARCAQH2357.7°60.0°
H21CARCAQH2261.2°60.0°
H21CARCAQH23178.9°180.0°
H22CAQCAPH24178.2°180.0°
H22CAQCAPH2556.9°60.0°
H23CAQCAPH2461.9°59.9°
H23CAQCAPH25176.7°180.0°
H24CAPCAOH26175.6°180.0°
H24CAPCAOH2764.3°60.0°
H25CAPCAOH2663.0°59.9°
H25CAPCAOH2757.1°180.0°
H26CAOCANH28178.6°179.9°
H26CAOCANH2958.5°60.0°
H27CAOCANH2861.3°60.0°
H27CAOCANH29178.6°179.9°
H28CANCAAH3060.0°180.0°
H28CANCAAH31180.0°60.0°
H28CANCAAH3260.0°60.0°
H29CANCAAH3060.0°59.9°
H29CANCAAH3160.0°180.0°
H29CANCAAH32180.0°60.0°
H30CAAH31H32120.0°120.0°

246704

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