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59O

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O8C9doub1.21Å1.20Å
CB2CB3doub1.38Å1.39ÅAromatic
CB2CB1sing1.40Å1.39ÅAromatic
CB3CB4sing1.38Å1.39ÅAromatic
C9CB1sing1.48Å1.48Å
C9O3sing1.35Å1.32Å
CB1CB6doub1.40Å1.40ÅAromatic
CB4C10sing1.51Å1.51Å
CB4CB5doub1.38Å1.39ÅAromatic
C7O1sing1.43Å1.40Å
C1C2sing1.53Å1.50Å
C1O1sing1.43Å1.40Å
C1O5sing1.43Å1.44Å
C3C2sing1.53Å1.51Å
C3O3sing1.45Å1.44Å
C3C4sing1.53Å1.53Å
C2O2sing1.45Å1.45Å
CB6CB5sing1.38Å1.39ÅAromatic
O7C8doub1.22Å1.20Å
C5O5sing1.43Å1.44Å
C5C4sing1.53Å1.54Å
C5C6sing1.53Å1.51Å
C4O4sing1.43Å1.43Å
O2C8sing1.35Å1.35Å
C8CA1sing1.48Å1.49Å
O6C6sing1.43Å1.44Å
CA1CA6doub1.40Å1.41ÅAromatic
CA1CA2sing1.40Å1.40ÅAromatic
ON2N1sing1.22Å1.23Å
CA6CA5sing1.38Å1.39ÅAromatic
N1CA2sing1.48Å1.49Å
N1ON1doub1.22Å1.28Å
CA2CA3doub1.38Å1.36ÅAromatic
CA5CA4doub1.39Å1.38ÅAromatic
CA3CA4sing1.39Å1.37ÅAromatic
CA4CL24sing1.74Å1.73Å
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C10H3sing1.09Å1.10Å
O6H4sing0.97Å0.95Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
C4H10sing1.09Å1.10Å
C3H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C2H13sing1.09Å1.10Å
C5H14sing1.09Å1.10Å
O4H15sing0.97Å0.95Å
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)
O8C9CB1125.1°119.9°
O8C9O3122.9°120.1°
CB3CB2CB1120.5°119.9°
CB2CB3CB4121.4°120.1°
CB3CB2H16119.7°120.0°
CB2CB3H18119.3°119.9°
CB2CB1C9119.0°120.1°
CB2CB1CB6118.3°119.7°
CB1CB2H16119.8°120.1°
CB3CB4C10121.0°119.8°
CB3CB4CB5118.0°120.3°
CB4CB3H18119.3°119.9°
CB1C9O3112.0°120.0°
C9CB1CB6122.6°120.1°
C9O3C3117.1°117.0°
CB1CB6CB5120.5°119.8°
CB1CB6H17119.7°120.1°
C10CB4CB5120.9°119.8°
CB4C10H1109.5°109.5°
CB4C10H2109.5°109.5°
CB4C10H3109.5°109.5°
CB4CB5CB6121.2°120.1°
CB4CB5H19119.4°119.9°
C7O1C1112.2°114.0°
O1C7H7109.5°109.5°
O1C7H8109.5°109.4°
O1C7H9109.5°109.5°
C2C1O1105.0°109.5°
C2C1O5112.5°109.5°
C1C2C3107.9°109.1°
C1C2O2108.0°109.5°
C2C1H12108.7°109.5°
C1C2H13109.7°109.6°
O1C1O5110.7°109.5°
O1C1H12110.1°109.4°
C1O5C5113.7°114.0°
O5C1H12109.6°109.5°
C2C3O3103.7°109.6°
C2C3C4114.5°109.0°
C3C2O2111.4°109.5°
C2C3H11107.3°109.5°
C3C2H13109.5°109.5°
O3C3C4115.6°109.5°
O3C3H11108.2°109.7°
C3C4C5108.8°109.2°
C3C4O4113.3°109.6°
C3C4H10107.5°109.5°
C4C3H11107.1°109.5°
C2O2C8119.3°117.0°
O2C2H13110.4°109.6°
CB5CB6H17119.7°120.1°
CB6CB5H19119.4°120.0°
O7C8O2123.9°120.0°
O7C8CA1123.6°120.0°
O5C5C4108.8°109.4°
O5C5C6106.2°109.5°
O5C5H14109.6°109.5°
C4C5C6115.1°109.6°
C5C4O4110.7°109.5°
C5C4H10107.5°109.5°
C4C5H14108.4°109.5°
C5C6O6111.5°109.5°
C5C6H5109.0°109.5°
C5C6H6109.0°109.5°
C6C5H14108.7°109.5°
O4C4H10108.8°109.5°
C4O4H15109.5°114.0°
O2C8CA1112.3°120.0°
C8CA1CA6115.1°120.1°
C8CA1CA2128.1°120.2°
C6O6H4109.5°114.1°
O6C6H5109.0°109.4°
O6C6H6109.0°109.4°
CA6CA1CA2116.6°119.7°
CA1CA6CA5120.9°119.8°
CA1CA6H20119.6°120.1°
CA1CA2N1122.4°120.0°
CA1CA2CA3122.9°119.9°
ON2N1CA2117.3°120.0°
ON2N1ON1123.3°120.0°
CA6CA5CA4118.8°120.1°
CA5CA6H20119.5°120.1°
CA6CA5H21120.6°119.9°
CA2N1ON1118.9°120.0°
N1CA2CA3114.2°120.1°
CA2CA3CA4118.5°120.1°
CA2CA3H22120.7°120.0°
CA5CA4CA3122.1°120.3°
CA5CA4CL24120.4°119.8°
CA4CA5H21120.6°120.0°
CA3CA4CL24117.4°119.9°
CA4CA3H22120.7°119.9°
H1C10H2109.5°109.4°
H1C10H3109.4°109.4°
H2C10H3109.4°109.5°
H5C6H6109.5°109.5°
H7C7H8109.5°109.5°
H7C7H9109.5°109.5°
H8C7H9109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O8C9CB1CB25.6°179.7°
O8C9CB1O3178.4°180.0°
O8C9CB1CB6172.4°0.0°
O8C9O3C37.1°0.0°
CB3CB2CB1H16180.0°179.9°
CB2CB3CB4H18180.0°180.0°
CB3CB2CB1C9179.9°180.0°
CB3CB2CB1CB62.1°0.3°
CB2CB3CB4C10176.2°180.0°
CB2CB3CB4CB50.8°0.2°
CB1CB2CB3CB40.9°0.0°
CB2CB1C9CB6178.0°179.7°
CB2CB1C9O3176.1°0.3°
CB2CB1CB6CB51.6°0.2°
CB2CB1CB6H17178.4°179.7°
CB1CB2CB3H18179.1°179.9°
CB3CB4C10CB5177.0°179.7°
CB3CB4CB5CB61.3°0.3°
CB3CB4C10H191.5°90.0°
CB3CB4C10H2148.5°150.0°
CB3CB4C10H328.5°30.0°
CB4CB3CB2H16179.1°179.9°
CB3CB4CB5H19178.6°179.8°
CB1C9O3C3171.3°179.9°
C9CB1CB6CB5179.6°179.9°
C9CB1CB2H160.1°0.1°
C9CB1CB6H170.5°0.0°
O3C9CB1CB66.0°180.0°
C9O3C3C2142.1°150.0°
C9O3C3C491.6°90.5°
C9O3C3H1128.4°29.7°
CB1CB6CB5CB40.1°0.1°
CB1CB6CB5H17180.0°179.9°
CB6CB1CB2H16177.9°179.8°
CB1CB6CB5H19179.8°180.0°
C10CB4CB5CB6175.7°180.0°
CB4C10H1H2120.0°120.0°
CB4C10H1H3120.0°120.0°
CB4C10H2H3120.0°120.0°
C10CB4CB3H183.7°0.0°
C10CB4CB5H194.3°0.1°
CB4CB5CB6H19180.0°179.9°
CB5CB4C10H191.5°89.7°
CB5CB4C10H228.5°30.3°
CB5CB4C10H3148.5°150.3°
CB4CB5CB6H17179.8°180.0°
CB5CB4CB3H18179.2°179.8°
C7O1C1C2174.7°175.0°
C7O1C1O563.7°65.0°
O1C7H7H8120.0°120.0°
O1C7H7H9120.0°120.0°
O1C7H8H9120.0°119.9°
C7O1C1H1257.8°55.0°
C2C1O1O5121.7°120.0°
C2C1O1H12116.9°120.0°
C2C1O5H12121.1°120.0°
C1C2C3O2118.3°119.9°
C1C2C3H13119.3°119.9°
C1C2C3O3178.2°176.8°
C1C2C3C451.2°57.0°
C1C2O2H13119.9°120.2°
C2C1O5C562.0°61.1°
C1C2O2C8117.2°90.3°
C1C2C3H1167.4°62.9°
O1C1O5H12121.7°120.0°
O1C1C2C3174.3°177.6°
O1C1C2O253.7°57.7°
O1C1O5C5179.2°178.9°
C1O1C7H7180.0°60.0°
C1O1C7H860.0°180.0°
C1O1C7H960.0°60.1°
O1C1C2H1366.6°62.5°
O5C1C2C353.7°57.6°
O5C1C2O266.8°62.3°
C1O5C5C461.0°61.1°
C1O5C5C6174.6°178.9°
O5C1C2H13172.9°177.4°
C1O5C5H1457.4°58.8°
C2C3O3C4126.2°119.5°
C2C3O3H11113.7°120.3°
C2C3C4H11118.8°119.8°
C3C2O2H13121.9°120.1°
C2C3C4C552.7°57.1°
C2C3C4O470.9°62.9°
C3C2O2C8124.6°150.0°
C2C3C4H10168.8°177.0°
C3C2C1H1267.9°62.4°
O3C3C4H11120.7°120.3°
O3C3C2O259.8°56.9°
O3C3C4C5173.2°176.9°
O3C3C4O449.6°56.9°
O3C3C4H1070.7°63.2°
O3C3C2H1362.6°63.3°
C4C3C2O267.1°62.9°
C3C4C5O554.3°57.7°
C3C4C5O4125.2°120.0°
C3C4C5H10116.1°119.9°
C3C4C5C6173.3°177.7°
C3C4O4H10119.5°120.1°
C4C3C2H13170.5°176.9°
C3C4C5H1464.8°62.2°
C3C4O4H15180.0°179.9°
C2O2C8O711.2°0.0°
C2O2C8CA1164.4°180.0°
O2C2C3H11174.2°177.3°
O2C2C1H12171.6°177.7°
O7C8O2CA1175.6°179.9°
O7C8CA1CA678.6°125.2°
O7C8CA1CA295.8°55.0°
O5C5C4C6119.0°120.0°
O5C5C4H14119.2°119.9°
O5C5C6H14117.8°120.0°
O5C5C4O470.8°62.3°
O5C5C6O656.8°65.0°
O5C5C6H5177.1°55.0°
O5C5C6H663.5°175.0°
O5C5C4H10170.5°177.6°
C5O5C1H1259.1°58.9°
C4C5C6H14121.7°120.1°
C5C4O4H10117.9°120.1°
C4C5C6O6177.2°175.0°
C4C5C6H562.5°65.0°
C4C5C6H656.9°55.1°
C5C4C3H1166.1°62.8°
C5C4O4H1557.4°60.0°
C6C5C4O448.1°57.7°
C5C6O6H5120.3°120.0°
C5C6O6H6120.3°120.0°
C5C6O6H4180.0°180.0°
C5C6H5H6119.1°120.1°
C6C5C4H1070.6°62.4°
O4C4C3H11170.3°177.2°
O4C4C5H14170.0°177.7°
O2C8CA1CA697.0°54.9°
O2C8CA1CA288.6°124.9°
C8O2C2H132.7°29.9°
C8CA1CA6CA2175.1°179.8°
C8CA1CA6CA5172.6°179.9°
C8CA1CA2N13.0°0.1°
C8CA1CA2CA3175.1°180.0°
C8CA1CA6H207.4°0.0°
O6C6H5H6119.1°119.9°
O6C6C5H1461.1°55.0°
CA1CA6CA5H20180.0°179.9°
CA6CA1CA2N1171.3°179.7°
CA6CA1CA2CA30.7°0.3°
CA1CA6CA5CA42.4°0.0°
CA1CA6CA5H21177.6°180.0°
CA1CA2N1ON239.2°6.6°
CA2CA1CA6CA52.5°0.3°
CA1CA2N1CA3172.7°180.0°
CA1CA2N1ON1148.4°173.4°
CA1CA2CA3CA43.9°0.0°
CA2CA1CA6H20177.5°179.8°
CA1CA2CA3H22176.1°180.0°
ON2N1CA2ON1172.5°179.9°
ON2N1CA2CA3133.5°173.3°
CA6CA5CA4H21180.0°180.0°
CA6CA5CA4CA30.9°0.2°
CA6CA5CA4CL24174.9°180.0°
N1CA2CA3CA4168.7°180.0°
N1CA2CA3H2211.3°0.0°
ON1N1CA2CA339.0°6.6°
CA2CA3CA4CA54.0°0.3°
CA2CA3CA4H22180.0°180.0°
CA2CA3CA4CL24171.9°180.0°
CA5CA4CA3CL24175.9°179.8°
CA4CA5CA6H20177.6°180.0°
CA5CA4CA3H22176.0°179.7°
CA3CA4CA5H21179.1°179.7°
CL24CA4CA5H215.1°0.0°
CL24CA4CA3H228.1°0.0°
H1C10H2H3119.9°119.9°
H4O6C6H559.7°59.9°
H4O6C6H659.7°60.0°
H5C6C5H1459.2°175.0°
H6C6C5H14178.6°65.0°
H7C7H8H9120.0°120.1°
H10C4C3H1150.0°57.1°
H10C4C5H1451.3°57.7°
H10C4O4H1560.5°60.0°
H11C3C2H1351.9°57.1°
H12C1C2H1351.3°57.4°
H16CB2CB3H180.9°0.0°
H17CB6CB5H190.2°0.1°
H20CA6CA5H212.5°0.0°

222415

PDB entries from 2024-07-10

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