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5EI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O8C9doub1.21Å1.21Å
CB2CB3doub1.38Å1.39ÅAromatic
CB2CB1sing1.40Å1.39ÅAromatic
CB3CB4sing1.38Å1.39ÅAromatic
C9CB1sing1.48Å1.50Å
C9O3sing1.35Å1.34Å
CB1CB6doub1.40Å1.40ÅAromatic
C7O1sing1.43Å1.45Å
CB4C10sing1.51Å1.51Å
CB4CB5doub1.38Å1.38ÅAromatic
C3C2sing1.53Å1.52Å
C3O3sing1.45Å1.45Å
C3C4sing1.53Å1.54Å
C1C2sing1.53Å1.53Å
C1O1sing1.43Å1.40Å
C1O5sing1.43Å1.42Å
C2O2sing1.45Å1.45Å
CB6CB5sing1.38Å1.39ÅAromatic
O7C8doub1.21Å1.21Å
C5C4sing1.53Å1.53Å
C5O5sing1.43Å1.43Å
C5C6sing1.53Å1.50Å
C4O4sing1.43Å1.43Å
O2C8sing1.35Å1.36Å
C8CA1sing1.48Å1.50Å
O6C6sing1.43Å1.43Å
CA1CA6doub1.40Å1.40ÅAromatic
CA1CA2sing1.40Å1.39ÅAromatic
CA6CA5sing1.38Å1.38ÅAromatic
CA2CA3doub1.38Å1.39ÅAromatic
CA5CA4doub1.38Å1.38ÅAromatic
CA3CA4sing1.38Å1.39ÅAromatic
CA3N1sing1.48Å1.48Å
ON2N1sing1.22Å1.25Å
N1ON1doub1.22Å1.24Å
C1H1sing1.09Å1.10Å
C6H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
O4H11sing0.97Å0.95Å
O6H12sing0.97Å0.95Å
CB2H13sing1.08Å1.08Å
CB6H14sing1.08Å1.08Å
CB3H15sing1.08Å1.08Å
CB5H16sing1.08Å1.08Å
C10H17sing1.09Å1.10Å
C10H18sing1.09Å1.10Å
C10H19sing1.09Å1.10Å
CA6H20sing1.08Å1.08Å
CA2H21sing1.08Å1.08Å
CA5H22sing1.08Å1.08Å
CA4H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O8C9CB1123.6°120.0°
O8C9O3123.7°120.0°
CB3CB2CB1120.6°119.8°
CB2CB3CB4121.4°120.1°
CB3CB2H13119.7°120.1°
CB2CB3H15119.3°119.9°
CB2CB1C9118.5°120.2°
CB2CB1CB6118.2°119.7°
CB1CB2H13119.7°120.1°
CB3CB4C10121.0°119.8°
CB3CB4CB5117.9°120.4°
CB4CB3H15119.3°120.0°
CB1C9O3112.7°120.0°
C9CB1CB6123.3°120.1°
C9O3C3117.2°117.0°
CB1CB6CB5120.5°119.8°
CB1CB6H14119.7°120.1°
C7O1C1113.8°114.0°
O1C7H8109.5°109.5°
O1C7H9109.5°109.4°
O1C7H10109.5°109.4°
C10CB4CB5121.1°119.8°
CB4C10H17109.5°109.5°
CB4C10H18109.5°109.5°
CB4C10H19109.5°109.5°
CB4CB5CB6121.4°120.1°
CB4CB5H16119.3°119.9°
C2C3O3107.5°109.5°
C2C3C4112.7°109.0°
C3C2C1110.0°109.2°
C3C2O2109.3°109.5°
C2C3H6108.0°109.5°
C3C2H7108.4°109.5°
O3C3C4111.8°109.6°
O3C3H6108.9°109.5°
C3C4C5111.1°109.2°
C3C4O4111.7°109.5°
C3C4H5107.6°109.6°
C4C3H6107.8°109.6°
C2C1O1109.4°109.5°
C2C1O5112.8°109.4°
C1C2O2111.6°109.5°
C2C1H1108.5°109.5°
C1C2H7108.3°109.5°
O1C1O5105.8°109.5°
O1C1H1110.2°109.5°
C1O5C5111.8°114.1°
O5C1H1110.0°109.5°
C2O2C8118.1°117.0°
O2C2H7109.3°109.6°
CB5CB6H14119.8°120.1°
CB6CB5H16119.3°119.9°
O7C8O2123.8°120.0°
O7C8CA1122.9°120.0°
C4C5O5109.9°109.4°
C4C5C6115.8°109.5°
C5C4O4109.7°109.6°
C4C5H4108.0°109.5°
C5C4H5107.6°109.5°
O5C5C6105.5°109.5°
O5C5H4109.2°109.5°
C5C6O6113.2°109.5°
C5C6H2108.6°109.5°
C5C6H3108.6°109.5°
C6C5H4108.4°109.5°
O4C4H5109.0°109.5°
C4O4H11109.5°114.0°
O2C8CA1113.2°120.0°
C8CA1CA6115.7°120.1°
C8CA1CA2124.7°120.2°
O6C6H2108.5°109.5°
O6C6H3108.5°109.4°
C6O6H12109.5°114.0°
CA6CA1CA2119.3°119.7°
CA1CA6CA5120.7°119.8°
CA1CA6H20119.7°120.2°
CA1CA2CA3118.6°119.9°
CA1CA2H21120.7°120.1°
CA6CA5CA4120.7°120.2°
CA5CA6H20119.7°120.0°
CA6CA5H22119.7°119.9°
CA2CA3CA4122.6°120.2°
CA2CA3N1119.2°120.0°
CA3CA2H21120.7°120.1°
CA5CA4CA3118.1°120.2°
CA4CA5H22119.7°119.9°
CA5CA4H23120.9°119.9°
CA4CA3N1118.1°119.9°
CA3CA4H23121.0°119.9°
CA3N1ON2118.7°120.0°
CA3N1ON1117.3°120.0°
ON2N1ON1123.8°120.0°
H2C6H3109.5°109.5°
H8C7H9109.5°109.5°
H8C7H10109.4°109.5°
H9C7H10109.5°109.5°
H17C10H18109.5°109.4°
H17C10H19109.5°109.5°
H18C10H19109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O8C9CB1CB23.8°179.7°
O8C9CB1O3177.5°179.9°
O8C9CB1CB6173.1°0.1°
O8C9O3C38.1°0.0°
CB3CB2CB1H13180.0°180.0°
CB2CB3CB4H15180.0°180.0°
CB3CB2CB1C9177.2°180.0°
CB3CB2CB1CB60.2°0.2°
CB2CB3CB4C10177.8°180.0°
CB2CB3CB4CB50.9°0.2°
CB1CB2CB3CB40.7°0.0°
CB2CB1C9CB6176.9°179.8°
CB2CB1C9O3178.7°0.2°
CB2CB1CB6CB50.0°0.2°
CB2CB1CB6H14180.0°179.7°
CB1CB2CB3H15179.3°180.0°
CB3CB4C10CB5178.7°179.8°
CB3CB4CB5CB60.7°0.3°
CB4CB3CB2H13179.3°180.0°
CB3CB4CB5H16179.3°179.8°
CB3CB4C10H1789.4°90.0°
CB3CB4C10H18150.6°150.0°
CB3CB4C10H1930.6°30.0°
CB1C9O3C3169.4°180.0°
C9CB1CB6CB5176.9°180.0°
C9CB1CB2H132.8°0.0°
C9CB1CB6H143.1°0.0°
O3C9CB1CB64.4°180.0°
C9O3C3C2144.9°150.0°
C9O3C3C490.8°90.5°
C9O3C3H628.2°29.8°
CB1CB6CB5CB40.3°0.0°
CB1CB6CB5H14180.0°180.0°
CB6CB1CB2H13179.8°179.8°
CB1CB6CB5H16179.8°180.0°
C7O1C1C2155.8°175.0°
C7O1C1O582.5°65.0°
C7O1C1H136.5°55.0°
O1C7H8H9120.0°120.0°
O1C7H8H10120.0°120.0°
O1C7H9H10120.0°119.9°
C10CB4CB5CB6178.1°180.0°
C10CB4CB3H152.2°0.0°
C10CB4CB5H161.9°0.0°
CB4C10H17H18120.0°120.0°
CB4C10H17H19120.0°120.1°
CB4C10H18H19120.0°120.0°
CB4CB5CB6H16180.0°180.0°
CB4CB5CB6H14179.7°180.0°
CB5CB4CB3H15179.1°179.8°
CB5CB4C10H1789.3°89.7°
CB5CB4C10H1830.7°30.3°
CB5CB4C10H19150.6°150.2°
C2C3O3C4124.2°119.6°
C2C3O3H6116.8°120.2°
C2C3C4H6119.0°119.9°
C3C2C1O2121.5°119.9°
C3C2C1H7118.3°119.9°
C3C2C1O1170.7°177.6°
C3C2C1O553.2°57.6°
C3C2O2H7118.4°120.2°
C2C3C4C548.2°57.0°
C2C3C4O474.7°62.9°
C3C2O2C8168.2°150.3°
C3C2C1H169.0°62.4°
C2C3C4H5165.7°176.9°
O3C3C4H6119.7°120.2°
O3C3C2C1169.9°176.9°
O3C3C2O247.1°56.9°
O3C3C4C5169.5°176.9°
O3C3C4O446.6°56.9°
O3C3C4H572.9°63.2°
O3C3C2H771.9°63.3°
C4C3C2C146.2°57.0°
C4C3C2O276.6°62.9°
C3C4C5O4124.0°119.9°
C3C4C5H5117.5°120.0°
C3C4C5O554.8°57.6°
C3C4C5C6174.1°177.6°
C3C4O4H5118.7°120.2°
C3C4C5H464.3°62.3°
C4C3C2H7164.4°176.9°
C3C4O4H11180.0°179.7°
C2C1O1O5121.7°119.9°
C2C1O1H1119.3°120.0°
C2C1O5H1121.3°120.0°
C1C2O2H7119.7°120.1°
C2C1O5C562.7°61.1°
C1C2O2C869.9°90.0°
C1C2C3H672.7°63.0°
O1C1O5H1119.1°120.0°
O1C1C2O249.2°57.7°
O1C1O5C5177.7°178.9°
O1C1C2H771.1°62.5°
C1O1C7H8180.0°180.0°
C1O1C7H960.0°60.0°
C1O1C7H1060.0°60.0°
O5C1C2O268.3°62.3°
C1O5C5C462.5°61.1°
C1O5C5C6172.0°178.9°
C1O5C5H455.7°58.8°
O5C1C2H7171.4°177.5°
C2O2C8O73.9°0.0°
C2O2C8CA1174.0°180.0°
O2C2C1H1169.5°177.7°
O2C2C3H6164.4°177.1°
O7C8O2CA1177.9°180.0°
O7C8CA1CA616.8°180.0°
O7C8CA1CA2169.0°0.3°
C4C5O5C6125.5°120.0°
C4C5O5H4118.2°120.0°
C4C5C6H4121.4°120.1°
C5C4O4H5117.7°120.1°
C4C5C6O6178.2°175.1°
C4C5C6H261.2°55.0°
C4C5C6H357.7°65.0°
C5C4C3H670.9°62.9°
C5C4O4H1156.4°60.0°
O5C5C6H4116.9°120.0°
O5C5C4O469.2°62.3°
O5C5C6O656.5°65.0°
C5O5C1H158.6°58.8°
O5C5C6H2177.0°174.9°
O5C5C6H364.0°54.9°
O5C5C4H5172.3°177.6°
C6C5C4O450.1°57.7°
C5C6O6H2120.6°120.0°
C5C6O6H3120.6°120.0°
C5C6H2H3118.3°120.0°
C6C5C4H568.4°62.5°
C5C6O6H12180.0°180.0°
O4C4C5H4171.7°177.7°
O4C4C3H6166.3°177.2°
O2C8CA1CA6165.3°0.0°
O2C8CA1CA28.9°179.7°
C8O2C2H749.8°30.1°
C8CA1CA6CA2174.5°179.7°
C8CA1CA6CA5174.2°180.0°
C8CA1CA2CA3174.4°180.0°
C8CA1CA6H205.8°0.1°
C8CA1CA2H215.6°0.0°
O6C6H2H3118.3°119.9°
O6C6C5H460.4°55.0°
CA1CA6CA5H20180.0°180.0°
CA6CA1CA2CA30.4°0.3°
CA1CA6CA5CA40.8°0.0°
CA6CA1CA2H21179.6°179.8°
CA1CA6CA5H22179.2°180.0°
CA2CA1CA6CA50.3°0.3°
CA1CA2CA3H21180.0°180.0°
CA1CA2CA3CA40.6°0.1°
CA1CA2CA3N1177.5°180.0°
CA2CA1CA6H20179.7°179.8°
CA6CA5CA4H22180.0°179.9°
CA6CA5CA4CA30.6°0.3°
CA6CA5CA4H23179.4°180.0°
CA2CA3CA4CA50.1°0.2°
CA2CA3CA4N1176.9°180.0°
CA2CA3N1ON27.9°180.0°
CA2CA3N1ON1177.1°0.0°
CA2CA3CA4H23179.9°180.0°
CA5CA4CA3H23180.0°179.8°
CA5CA4CA3N1177.0°179.8°
CA4CA5CA6H20179.2°180.0°
CA4CA3N1ON2169.1°0.0°
CA4CA3N1ON16.0°180.0°
CA4CA3CA2H21179.4°180.0°
CA3CA4CA5H22179.4°179.8°
CA3N1ON2ON1174.7°179.9°
N1CA3CA2H212.5°0.0°
N1CA3CA4H233.0°0.0°
H1C1C2H749.3°57.5°
H2C6C5H460.2°65.0°
H2C6O6H1259.5°59.9°
H3C6C5H4179.1°174.9°
H3C6O6H1259.4°60.0°
H4C5C4H553.2°57.6°
H5C4C3H646.7°57.0°
H5C4O4H1161.3°60.1°
H6C3C2H745.5°56.9°
H8C7H9H10120.0°120.1°
H13CB2CB3H150.7°0.0°
H14CB6CB5H160.2°0.1°
H17C10H18H19120.0°119.9°
H20CA6CA5H220.8°0.0°
H22CA5CA4H230.6°0.0°

222415

PDB entries from 2024-07-10

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