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5A4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O8C9doub1.21Å1.21Å
CB2CB3doub1.38Å1.39ÅAromatic
CB2CB1sing1.40Å1.39ÅAromatic
CB3CB4sing1.38Å1.39ÅAromatic
C9CB1sing1.48Å1.48Å
C9O3sing1.35Å1.34Å
CB1CB6doub1.40Å1.39ÅAromatic
C7O1sing1.43Å1.42Å
CB4C10sing1.51Å1.51Å
CB4CB5doub1.38Å1.39ÅAromatic
C1O1sing1.43Å1.40Å
C1C2sing1.53Å1.51Å
C1O5sing1.43Å1.43Å
C3C2sing1.53Å1.53Å
C3O3sing1.45Å1.45Å
C3C4sing1.53Å1.53Å
C2O2sing1.45Å1.46Å
CB6CB5sing1.38Å1.38ÅAromatic
C5O5sing1.43Å1.43Å
C5C4sing1.53Å1.53Å
C5C6sing1.53Å1.51Å
O7C8doub1.21Å1.20Å
C4O4sing1.43Å1.41Å
O6C6sing1.43Å1.42Å
O2C8sing1.35Å1.37Å
C8CA1sing1.48Å1.50Å
ON2N1sing1.22Å1.23Å
CA1CA6doub1.40Å1.40ÅAromatic
CA1CA2sing1.40Å1.40ÅAromatic
CA6CA5sing1.38Å1.39ÅAromatic
N1CA2sing1.48Å1.49Å
N1ON1doub1.22Å1.24Å
CA2CA3doub1.38Å1.39ÅAromatic
CA5CA4doub1.39Å1.38ÅAromatic
CA3CA4sing1.39Å1.38ÅAromatic
CA4F1sing1.35Å1.38Å
C1H1sing1.09Å1.10Å
C6H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C2H12sing1.09Å1.10Å
C4H13sing1.09Å1.10Å
O4H14sing0.97Å0.95Å
O6H15sing0.97Å0.95Å
CB2H16sing1.08Å1.08Å
CB6H17sing1.08Å1.08Å
CB3H18sing1.08Å1.08Å
CB5H19sing1.08Å1.08Å
CA6H20sing1.08Å1.08Å
CA5H21sing1.08Å1.08Å
CA3H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O8C9CB1124.2°120.0°
O8C9O3123.8°119.9°
CB3CB2CB1120.5°119.9°
CB2CB3CB4121.3°120.1°
CB3CB2H16119.7°120.1°
CB2CB3H18119.4°119.9°
CB2CB1C9119.5°120.2°
CB2CB1CB6118.3°119.7°
CB1CB2H16119.8°120.1°
CB3CB4C10121.0°119.9°
CB3CB4CB5117.9°120.3°
CB4CB3H18119.3°119.9°
CB1C9O3112.0°120.0°
C9CB1CB6122.1°120.1°
C9O3C3116.7°117.0°
CB1CB6CB5120.4°119.9°
CB1CB6H17119.8°120.1°
C7O1C1111.7°114.0°
O1C7H9109.5°109.4°
O1C7H10109.5°109.5°
O1C7H11109.5°109.5°
C10CB4CB5121.0°119.8°
CB4C10H6109.5°109.5°
CB4C10H7109.5°109.5°
CB4C10H8109.4°109.5°
CB4CB5CB6121.4°120.1°
CB4CB5H19119.3°119.9°
O1C1C2107.4°109.5°
O1C1O5108.1°109.5°
O1C1H1110.3°109.5°
C2C1O5112.7°109.4°
C1C2C3106.8°109.2°
C1C2O2110.0°109.6°
C2C1H1108.6°109.5°
C1C2H12108.5°109.5°
C1O5C5113.5°114.1°
O5C1H1109.8°109.5°
C2C3O3109.2°109.6°
C2C3C4112.4°109.0°
C3C2O2113.9°109.6°
C2C3H5107.3°109.6°
C3C2H12108.4°109.5°
O3C3C4112.3°109.5°
O3C3H5108.2°109.6°
C3C4C5112.3°109.1°
C3C4O4109.4°109.5°
C4C3H5107.2°109.5°
C3C4H13108.4°109.6°
C2O2C8118.0°117.0°
O2C2H12109.2°109.6°
CB5CB6H17119.8°120.1°
CB6CB5H19119.3°120.0°
O5C5C4109.5°109.5°
O5C5C6105.5°109.5°
O5C5H4110.0°109.5°
C4C5C6114.1°109.5°
C5C4O4108.2°109.5°
C4C5H4108.7°109.5°
C5C4H13108.4°109.5°
C5C6O6111.4°109.5°
C5C6H2109.0°109.5°
C5C6H3109.0°109.5°
C6C5H4109.0°109.5°
O7C8O2123.6°120.0°
O7C8CA1122.1°120.0°
O4C4H13110.0°109.6°
C4O4H14109.5°114.0°
O6C6H2109.0°109.4°
O6C6H3109.0°109.5°
C6O6H15109.5°114.0°
O2C8CA1114.3°120.0°
C8CA1CA6117.6°120.1°
C8CA1CA2125.4°120.1°
ON2N1CA2117.8°120.0°
ON2N1ON1123.2°120.0°
CA6CA1CA2116.9°119.7°
CA1CA6CA5121.8°119.9°
CA1CA6H20119.1°120.0°
CA1CA2N1120.5°120.1°
CA1CA2CA3123.0°119.9°
CA6CA5CA4118.3°120.1°
CA5CA6H20119.1°120.0°
CA6CA5H21120.9°120.0°
CA2N1ON1119.0°120.0°
N1CA2CA3116.4°120.0°
CA2CA3CA4117.0°120.1°
CA2CA3H22121.5°120.0°
CA5CA4CA3123.0°120.3°
CA5CA4F1118.5°119.9°
CA4CA5H21120.9°119.9°
CA3CA4F1118.4°119.9°
CA4CA3H22121.5°119.9°
H2C6H3109.5°109.5°
H6C10H7109.4°109.5°
H6C10H8109.5°109.4°
H7C10H8109.5°109.5°
H9C7H10109.4°109.5°
H9C7H11109.5°109.5°
H10C7H11109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O8C9CB1CB23.5°179.7°
O8C9CB1O3179.7°180.0°
O8C9CB1CB6177.1°0.0°
O8C9O3C320.0°0.0°
CB3CB2CB1H16180.0°180.0°
CB2CB3CB4H18180.0°179.9°
CB3CB2CB1C9175.9°180.0°
CB3CB2CB1CB63.6°0.2°
CB2CB3CB4C10172.4°180.0°
CB2CB3CB4CB53.1°0.3°
CB1CB2CB3CB40.3°0.0°
CB2CB1C9CB6179.4°179.8°
CB2CB1C9O3176.9°0.3°
CB2CB1CB6CB53.4°0.2°
CB2CB1CB6H17176.6°179.7°
CB1CB2CB3H18179.7°180.0°
CB3CB4C10CB5175.4°179.7°
CB3CB4CB5CB63.3°0.3°
CB3CB4C10H692.3°89.9°
CB3CB4C10H7147.7°150.0°
CB3CB4C10H827.7°30.0°
CB4CB3CB2H16179.7°180.0°
CB3CB4CB5H19176.7°179.7°
CB1C9O3C3159.7°180.0°
C9CB1CB6CB5176.0°180.0°
C9CB1CB2H164.1°0.0°
C9CB1CB6H174.0°0.1°
O3C9CB1CB62.5°180.0°
C9O3C3C2140.9°150.0°
C9O3C3C493.7°90.4°
C9O3C3H524.4°29.7°
CB1CB6CB5CB40.0°0.0°
CB1CB6CB5H17180.0°179.9°
CB6CB1CB2H16176.5°179.8°
CB1CB6CB5H19180.0°180.0°
C7O1C1C2165.5°175.0°
C7O1C1O572.7°65.1°
C7O1C1H147.3°55.0°
O1C7H9H10120.0°120.0°
O1C7H9H11120.0°120.0°
O1C7H10H11120.0°120.0°
C10CB4CB5CB6172.2°180.0°
CB4C10H6H7120.0°120.1°
CB4C10H6H8120.0°120.0°
CB4C10H7H8120.0°120.0°
C10CB4CB3H187.6°0.1°
C10CB4CB5H197.8°0.0°
CB4CB5CB6H19180.0°180.0°
CB5CB4C10H692.3°89.8°
CB5CB4C10H727.7°30.3°
CB5CB4C10H8147.7°150.3°
CB4CB5CB6H17180.0°179.9°
CB5CB4CB3H18176.9°179.8°
O1C1C2O5119.0°120.0°
O1C1C2H1119.2°120.1°
O1C1O5H1120.3°120.1°
O1C1C2C3177.0°177.6°
O1C1C2O252.9°57.6°
O1C1O5C5177.8°178.9°
C1O1C7H9180.0°60.0°
C1O1C7H1060.0°60.0°
C1O1C7H1160.0°180.0°
O1C1C2H1266.4°62.5°
C2C1O5H1121.1°120.0°
C1C2C3O2121.6°120.0°
C1C2C3H12116.6°119.9°
C1C2C3O3177.3°176.9°
C1C2C3C452.0°57.0°
C1C2O2H12118.9°120.2°
C2C1O5C563.6°61.1°
C1C2O2C8112.1°90.0°
C1C2C3H565.6°62.9°
O5C1C2C358.1°57.7°
O5C1C2O266.0°62.3°
C1O5C5C457.2°61.1°
C1O5C5C6179.6°178.9°
C1O5C5H462.2°58.9°
O5C1C2H12174.6°177.5°
C2C3O3C4125.3°119.5°
C2C3O3H5116.5°120.3°
C2C3C4H5117.6°119.9°
C3C2O2H12121.3°120.1°
C2C3C4C550.7°57.0°
C2C3C4O469.6°62.9°
C3C2O2C8128.1°150.3°
C3C2C1H163.7°62.3°
C2C3C4H13170.5°176.9°
O3C3C4H5118.8°120.2°
O3C3C2O255.7°56.9°
O3C3C4C5174.3°176.8°
O3C3C4O454.0°57.0°
O3C3C2H1266.1°63.3°
O3C3C4H1365.9°63.2°
C4C3C2O269.6°63.0°
C3C4C5O550.6°57.6°
C3C4C5O4121.0°119.9°
C3C4C5H13119.8°120.0°
C3C4C5C6168.6°177.6°
C3C4O4H13119.0°120.2°
C3C4C5H469.6°62.4°
C4C3C2H12168.6°176.9°
C3C4O4H14180.0°179.7°
C2O2C8O716.7°0.0°
C2O2C8CA1161.7°180.0°
O2C2C1H1172.2°177.7°
O2C2C3H5172.8°177.1°
O5C5C4C6118.0°120.0°
O5C5C4H4120.2°120.0°
O5C5C6H4118.1°120.0°
O5C5C4O470.3°62.3°
O5C5C6O661.6°65.0°
C5O5C1H157.5°58.8°
O5C5C6H2178.1°175.0°
O5C5C6H358.7°55.0°
O5C5C4H13170.4°177.6°
C4C5C6H4121.6°120.0°
C5C4O4H13118.3°120.1°
C4C5C6O6178.1°175.0°
C4C5C6H257.9°55.1°
C4C5C6H361.5°65.0°
C5C4C3H567.0°63.0°
C5C4O4H1457.3°60.0°
C6C5C4O447.6°57.7°
C5C6O6H2120.3°120.0°
C5C6O6H3120.3°120.0°
C5C6H2H3119.1°120.0°
C6C5C4H1371.6°62.5°
C5C6O6H15180.0°180.0°
O7C8O2CA1178.4°180.0°
O7C8CA1CA685.0°125.2°
O7C8CA1CA290.0°55.1°
O4C4C5H4169.5°177.7°
O4C4C3H5172.8°177.1°
O6C6H2H3119.1°120.0°
O6C6C5H456.5°55.0°
O2C8CA1CA693.4°54.9°
O2C8CA1CA291.6°124.9°
C8O2C2H126.8°30.2°
C8CA1CA6CA2175.4°179.7°
C8CA1CA6CA5176.0°180.0°
C8CA1CA2N10.4°0.0°
C8CA1CA2CA3176.2°180.0°
C8CA1CA6H204.0°0.1°
ON2N1CA2CA142.5°6.6°
ON2N1CA2ON1179.9°180.0°
ON2N1CA2CA3134.3°173.4°
CA1CA6CA5H20180.0°180.0°
CA6CA1CA2N1175.4°179.7°
CA6CA1CA2CA31.2°0.2°
CA1CA6CA5CA40.7°0.1°
CA1CA6CA5H21179.3°180.0°
CA2CA1CA6CA50.6°0.2°
CA1CA2N1CA3176.8°179.9°
CA1CA2N1ON1137.4°173.4°
CA1CA2CA3CA40.4°0.1°
CA2CA1CA6H20179.4°179.8°
CA1CA2CA3H22179.6°180.0°
CA6CA5CA4H21180.0°179.9°
CA6CA5CA4CA31.6°0.3°
CA6CA5CA4F1174.7°180.0°
N1CA2CA3CA4176.3°180.0°
N1CA2CA3H223.7°0.1°
ON1N1CA2CA345.8°6.7°
CA2CA3CA4CA51.0°0.3°
CA2CA3CA4H22180.0°179.9°
CA2CA3CA4F1175.2°180.0°
CA5CA4CA3F1176.3°179.7°
CA4CA5CA6H20179.3°179.9°
CA5CA4CA3H22178.9°179.7°
CA3CA4CA5H21178.4°179.7°
F1CA4CA5H215.3°0.0°
F1CA4CA3H224.8°0.0°
H1C1C2H1252.8°57.5°
H2C6C5H463.8°64.9°
H2C6O6H1559.8°60.0°
H3C6C5H4176.8°175.0°
H3C6O6H1559.6°60.0°
H4C5C4H1350.2°57.5°
H5C3C2H1251.0°57.0°
H5C3C4H1352.8°56.9°
H6C10H7H8120.0°120.0°
H9C7H10H11120.0°120.0°
H13C4O4H1461.0°60.1°
H16CB2CB3H180.3°0.0°
H17CB6CB5H190.0°0.1°
H20CA6CA5H210.7°0.0°

222415

PDB entries from 2024-07-10

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