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7BT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CACCAEdoub1.35Å1.57Å
CACCABsing1.46Å1.54Å
NAACAGsing1.46Å1.47Å
NAACABsing1.35Å1.33Å
CAECAFsing1.47Å1.41Å
CAGCASsing1.53Å1.57Å
CABOADdoub1.22Å1.21Å
O5C1sing1.43Å1.47Å
O5C5sing1.43Å1.41Å
O6C6sing1.43Å1.50Å
C1CASsing1.53Å1.53Å
C1C2sing1.53Å1.53Å
CAXCAFdoub1.40Å1.41ÅAromatic
CAXCAWsing1.38Å1.39ÅAromatic
C6C5sing1.53Å1.50Å
CAFCATsing1.40Å1.40ÅAromatic
C5C4sing1.53Å1.50Å
O4C4sing1.43Å1.38Å
OBACAWsing1.36Å1.39Å
OBACBDsing1.43Å1.43Å
C2O2sing1.43Å1.49Å
C2C3sing1.53Å1.53Å
CAWCAVdoub1.39Å1.40ÅAromatic
CATCAUdoub1.38Å1.41ÅAromatic
C4C3sing1.53Å1.57Å
CAVCAUsing1.39Å1.41ÅAromatic
CAVOAZsing1.36Å1.35Å
C3O3sing1.43Å1.41Å
CBCOAZsing1.43Å1.44Å
CAUOAYsing1.36Å1.39Å
CBBOAYsing1.43Å1.45Å
C4H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
CBBH6sing1.09Å1.10Å
CBBH7sing1.09Å1.10Å
CBBH8sing1.09Å1.10Å
CATH9sing1.08Å1.08Å
CBCH10sing1.09Å1.10Å
CBCH11sing1.09Å1.10Å
CBCH12sing1.09Å1.10Å
CBDH13sing1.09Å1.10Å
CBDH14sing1.09Å1.10Å
CBDH15sing1.09Å1.10Å
CAXH16sing1.08Å1.08Å
CAEH17sing1.08Å1.08Å
CACH18sing1.08Å1.08Å
NAAH19sing0.97Å1.00Å
CAGH20sing1.09Å1.10Å
CAGH21sing1.09Å1.10Å
CASH22sing1.09Å1.10Å
CASH23sing1.09Å1.10Å
C1H24sing1.09Å1.10Å
O6H25sing0.97Å0.95Å
O4H26sing0.97Å0.95Å
O3H27sing0.97Å0.95Å
C2H28sing1.09Å1.10Å
O2H29sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAECACCAB121.9°120.0°
CACCAECAF123.1°120.0°
CACCAEH17118.4°120.0°
CAECACH18119.1°119.9°
CACCABNAA120.4°120.1°
CACCABOAD118.7°120.0°
CABCACH18119.1°120.0°
CAGNAACAB125.5°120.0°
NAACAGCAS115.4°109.4°
CAGNAAH19117.3°120.0°
NAACAGH20108.0°109.4°
NAACAGH21107.9°109.5°
NAACABOAD120.2°120.0°
CABNAAH19117.2°120.0°
CAECAFCAX122.5°120.1°
CAECAFCAT118.2°120.1°
CAFCAEH17118.5°120.0°
CAGCASC1105.5°109.4°
CASCAGH20108.0°109.5°
CASCAGH21108.0°109.5°
CAGCASH22110.5°109.5°
CAGCASH23110.5°109.5°
C1O5C5115.5°114.1°
O5C1CAS111.1°109.5°
O5C1C2107.9°109.4°
O5C1H24107.2°109.5°
O5C5C6108.9°109.5°
O5C5C4109.2°109.4°
O5C5H2110.9°109.5°
O6C6C5106.9°109.4°
O6C6H3110.1°109.5°
O6C6H4110.1°109.5°
C6O6H25109.5°114.0°
CASC1C2117.2°109.5°
C1CASH22110.4°109.4°
C1CASH23110.4°109.5°
CASC1H24106.5°109.5°
C1C2O2108.5°109.5°
C1C2C3112.2°109.1°
C2C1H24106.4°109.4°
C1C2H28109.2°109.5°
CAFCAXCAW121.4°120.0°
CAXCAFCAT119.3°119.8°
CAFCAXH16119.3°120.0°
CAXCAWOBA120.4°119.9°
CAXCAWCAV118.1°120.1°
CAWCAXH16119.3°120.0°
C6C5C4108.8°109.5°
C6C5H2109.5°109.5°
C5C6H3110.1°109.4°
C5C6H4110.1°109.5°
CAFCATCAU120.5°119.9°
CAFCATH9119.7°120.0°
C5C4O4115.2°109.6°
C5C4C3107.7°109.2°
C5C4H1108.6°109.5°
C4C5H2109.6°109.5°
O4C4C3107.1°109.5°
O4C4H1110.3°109.5°
C4O4H26109.5°114.0°
CAWOBACBD122.6°117.1°
OBACAWCAV121.3°120.0°
OBACBDH13109.5°109.4°
OBACBDH14109.4°109.5°
OBACBDH15109.5°109.5°
O2C2C3108.0°109.5°
O2C2H28109.7°109.5°
C2O2H29109.5°114.0°
C2C3C4109.0°109.1°
C2C3O3109.1°109.5°
C2C3H5109.4°109.6°
C3C2H28109.2°109.6°
CAWCAVCAU122.5°120.2°
CAWCAVOAZ118.5°119.9°
CATCAUCAV118.1°120.1°
CATCAUOAY123.8°120.0°
CAUCATH9119.7°120.0°
C4C3O3109.4°109.5°
C3C4H1107.7°109.5°
C4C3H5108.8°109.6°
CAUCAVOAZ119.1°119.9°
CAVCAUOAY118.1°120.0°
CAVOAZCBC112.5°117.0°
O3C3H5111.1°109.5°
C3O3H27109.5°114.0°
OAZCBCH10109.5°109.4°
OAZCBCH11109.4°109.5°
OAZCBCH12109.4°109.5°
CAUOAYCBB115.6°117.0°
OAYCBBH6109.5°109.4°
OAYCBBH7109.5°109.4°
OAYCBBH8109.5°109.5°
H3C6H4109.5°109.5°
H6CBBH7109.5°109.5°
H6CBBH8109.5°109.5°
H7CBBH8109.5°109.5°
H10CBCH11109.5°109.5°
H10CBCH12109.5°109.5°
H11CBCH12109.5°109.5°
H13CBDH14109.5°109.5°
H13CBDH15109.5°109.4°
H14CBDH15109.5°109.5°
H20CAGH21109.5°109.6°
H22CASH23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAECACCABH18180.0°179.9°
CAECACCABNAA178.6°172.7°
CACCAECAFH17180.0°180.0°
CAECACCABOAD10.7°7.4°
CACCAECAFCAX47.2°136.2°
CACCAECAFCAT132.8°44.1°
CACCABNAACAG179.1°180.0°
CACCABNAAOAD170.6°179.9°
CABCACCAECAF11.7°10.1°
CABCACCAEH17168.3°169.9°
CACCABNAAH190.9°0.0°
CAGNAACABH19180.0°180.0°
NAACAGCASH20120.9°119.9°
NAACAGCASH21120.8°120.0°
CAGNAACABOAD10.3°0.0°
NAACAGCASC1140.4°180.0°
NAACAGH20H21117.3°120.0°
NAACAGCASH22100.2°60.1°
NAACAGCASH2321.1°60.0°
CABNAACAGCAS16.6°180.0°
NAACABCACH181.4°7.3°
CABNAACAGH20104.3°60.1°
CABNAACAGH21137.4°60.0°
CAECAFCAXCAT180.0°179.7°
CAECAFCAXCAW176.8°179.9°
CAECAFCATCAU179.4°179.7°
CAECAFCATH90.6°0.3°
CAECAFCAXH163.2°0.3°
CAFCAECACH18168.3°169.8°
CAGCASC1O551.0°65.1°
CAGCASC1H22119.4°120.0°
CAGCASC1H23119.4°120.0°
CAGCASC1C2175.7°175.0°
CASCAGNAAH19163.4°0.0°
CASCAGH20H21117.3°120.1°
CAGCASH22H23121.8°120.1°
CAGCASC1H2465.3°55.0°
OADCABCACH18169.3°172.7°
OADCABNAAH19169.7°180.0°
O5C1CASC2124.7°119.9°
O5C1CASH24116.3°120.1°
O5C1C2H24114.8°120.0°
C1O5C5C6176.1°178.9°
C1O5C5C465.3°61.2°
O5C1C2O2170.8°177.5°
O5C1C2C351.5°57.6°
C1O5C5H255.6°58.8°
O5C1CASH2268.4°54.9°
O5C1CASH23170.4°174.9°
O5C1C2H2869.6°62.4°
O5C5C6O667.5°65.1°
C5O5C1CAS71.6°58.8°
C5O5C1C258.2°61.2°
O5C5C6C4118.9°119.9°
O5C5C6H2121.4°120.1°
O5C5C4H2121.6°120.0°
O5C5C4O457.7°62.3°
O5C5C4C361.7°57.6°
O5C5C4H1178.1°177.5°
O5C5C6H352.1°175.0°
O5C5C6H4173.0°54.9°
C5O5C1H24172.5°178.9°
O6C6C5H3119.6°119.9°
O6C6C5H4119.6°120.0°
O6C6C5C4173.7°175.0°
O6C6C5H253.9°55.0°
O6C6H3H4121.2°120.0°
CASC1C2H24118.9°120.0°
CASC1C2O244.6°57.5°
CASC1C2C374.7°62.4°
C1CASCAGH2019.5°60.1°
C1CASCAGH2198.7°60.0°
C1CASH22H23121.8°120.0°
CASC1C2H28164.1°177.6°
C1C2O2C3121.9°119.7°
C1C2O2H28119.2°120.2°
C1C2C3H28121.1°119.9°
C1C2C3C453.6°57.0°
C1C2C3O3173.0°176.8°
C1C2C3H565.3°63.0°
C2C1CASH2256.4°65.0°
C2C1CASH2364.9°55.0°
C1C2O2H29180.0°180.0°
CAFCAXCAWH16180.0°179.8°
CAFCAXCAWOBA179.1°179.8°
CAFCAXCAWCAV4.2°0.2°
CAXCAFCATCAU0.6°0.0°
CAXCAFCATH9179.4°180.0°
CAXCAFCAEH17132.8°43.8°
CAWCAXCAFCAT3.2°0.2°
CAXCAWOBACAV174.8°180.0°
CAXCAWOBACBD130.4°0.0°
CAXCAWCAVCAU2.7°0.0°
CAXCAWCAVOAZ177.8°180.0°
C6C5C4H2119.7°120.1°
C6C5C4O461.0°57.6°
C6C5C4C3179.6°177.6°
C6C5C4H163.2°62.5°
C5C6H3H4121.2°120.0°
C5C6O6H25180.0°180.0°
CAFCATCAUH9180.0°180.0°
CAFCATCAUCAV0.9°0.2°
CAFCATCAUOAY179.8°180.0°
CATCAFCAXH16176.8°180.0°
CATCAFCAEH1747.2°135.9°
C5C4O4C3119.7°119.7°
C5C4O4H1123.4°120.1°
C5C4C3C257.1°57.0°
C5C4C3H1117.0°119.9°
C5C4C3O3176.3°176.9°
C4C5C6H366.8°55.1°
C4C5C6H454.1°65.0°
C5C4C3H562.1°62.9°
C5C4O4H26180.0°60.3°
O4C4C3C267.3°63.0°
O4C4C3H1118.6°120.1°
O4C4C3O351.9°56.9°
O4C4C5H2179.3°177.7°
O4C4C3H5173.5°177.1°
OBACAWCAVCAU177.6°180.0°
OBACAWCAVOAZ2.9°0.0°
CAWOBACBDH13180.0°60.0°
CAWOBACBDH1460.0°60.0°
CAWOBACBDH1560.0°179.9°
OBACAWCAXH160.9°0.0°
CBDOBACAWCAV54.9°180.0°
OBACBDH13H14120.0°120.0°
OBACBDH13H15120.0°120.0°
OBACBDH14H15120.0°120.0°
O2C2C3H28119.3°120.2°
O2C2C3C4173.2°176.9°
O2C2C3O367.4°63.2°
O2C2C3H554.3°57.0°
O2C2C1H2474.4°62.5°
C2C3C4O3119.2°119.9°
C2C3C4H5119.2°119.9°
C2C3O3H5120.7°120.2°
C2C3C4H1174.1°176.9°
C3C2C1H24166.3°177.6°
C2C3O3H27180.0°179.6°
C3C2O2H2958.1°60.3°
CAWCAVCAUCAT0.1°0.3°
CAWCAVCAUOAZ179.5°179.9°
CAWCAVOAZCBC75.3°89.9°
CAWCAVCAUOAY178.8°180.0°
CAVCAWCAXH16175.8°180.0°
CATCAUCAVOAY179.0°179.8°
CATCAUCAVOAZ179.7°179.8°
CATCAUOAYCBB43.8°0.0°
C4C3O3H5120.2°120.2°
C3C4C5H259.9°62.4°
C3C4O4H2660.3°180.0°
C4C3O3H2760.9°60.0°
C4C3C2H2867.6°63.0°
CAUCAVOAZCBC105.2°90.0°
CAVCAUOAYCBB137.3°179.7°
CAVCAUCATH9179.1°179.8°
OAZCAVCAUOAY0.7°0.0°
CAVOAZCBCH10180.0°180.0°
CAVOAZCBCH1160.0°60.0°
CAVOAZCBCH1260.0°60.0°
O3C3C4H166.7°63.3°
O3C3C2H2851.8°56.9°
OAZCBCH10H11120.0°120.0°
OAZCBCH10H12120.0°120.0°
OAZCBCH11H12120.0°120.0°
CAUOAYCBBH6180.0°60.0°
CAUOAYCBBH760.0°60.0°
CAUOAYCBBH860.0°180.0°
OAYCAUCATH90.2°0.0°
OAYCBBH6H7120.0°119.9°
OAYCBBH6H8120.0°120.0°
OAYCBBH7H8120.0°120.0°
H1C4C5H256.4°57.5°
H1C4C3H554.9°56.9°
H1C4O4H2656.6°59.9°
H2C5C6H3173.5°64.9°
H2C5C6H465.6°175.0°
H3C6O6H2560.4°60.0°
H4C6O6H2560.4°60.0°
H5C3O3H2759.3°60.2°
H5C3C2H28173.6°177.1°
H6CBBH7H8120.0°120.1°
H10CBCH11H12120.1°120.0°
H13CBDH14H15120.0°120.0°
H17CAECACH1811.7°10.1°
H19NAACAGH2075.7°120.0°
H19NAACAGH2142.6°120.0°
H20CAGCASH22138.9°180.0°
H20CAGCASH2399.8°59.9°
H21CAGCASH2220.7°59.9°
H21CAGCASH23141.9°180.0°
H22CASC1H24175.3°175.0°
H23CASC1H2454.1°65.0°
H24C1C2H2845.2°57.6°
H28C2O2H2960.8°59.9°

225158

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