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HHH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10O12sing1.34Å1.26Å
O12HO12sing0.97Å0.95Å
O11C10doub1.21Å1.25Å
C10C7sing1.51Å1.51Å
C7O8sing1.43Å1.44Å
C7C1sing1.51Å1.50Å
C7H7sing1.09Å1.10Å
O8HO8sing0.97Å0.95Å
C6C1doub1.38Å1.39ÅAromatic
C1C2sing1.38Å1.41ÅAromatic
C2C3doub1.38Å1.39ÅAromatic
C2H2sing1.08Å1.08Å
C4C3sing1.39Å1.38ÅAromatic
C3H3sing1.08Å1.08Å
C6C5sing1.38Å1.38ÅAromatic
C6H6sing1.08Å1.08Å
C5C4doub1.39Å1.44ÅAromatic
C5H5sing1.08Å1.08Å
C4O1sing1.36Å1.37Å
O1HO1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C10O12HO12109.5°116.9°
O12C10O11119.7°120.0°
O12C10C7123.7°119.9°
O11C10C7116.6°120.0°
C10C7O8103.8°109.5°
C10C7C1115.6°109.4°
C10C7H7110.0°109.5°
O8C7C1111.4°109.5°
O8C7H7114.2°109.5°
C7O8HO8109.5°114.0°
C1C7H7102.1°109.5°
C7C1C6119.0°119.9°
C7C1C2120.3°120.0°
C6C1C2120.6°120.1°
C1C6C5120.0°120.0°
C1C6H6120.0°120.0°
C1C2C3120.3°120.1°
C1C2H2119.9°120.0°
C3C2H2119.8°120.0°
C2C3C4119.2°120.0°
C2C3H3120.4°120.0°
C4C3H3120.4°120.0°
C3C4C5120.9°119.9°
C3C4O1116.6°120.1°
C5C6H6120.0°120.0°
C6C5C4119.0°120.0°
C6C5H5120.5°120.0°
C4C5H5120.5°120.0°
C5C4O1122.6°120.1°
C4O1HO1109.5°114.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O12C10O11C7179.3°180.0°
O12C10C7O8154.1°175.0°
O12C10C7C131.7°65.0°
O12C10C7H783.2°55.0°
HO12O12C10O110.0°0.0°
HO12O12C10C7179.3°180.0°
O11C10C7O826.6°5.0°
O11C10C7C1149.0°115.0°
O11C10C7H796.1°125.0°
C10C7O8C1125.1°120.0°
C10C7O8H7119.8°120.0°
C10C7C1H7119.4°120.0°
C10C7O8HO898.6°59.9°
C10C7C1C6147.6°80.2°
C10C7C1C234.8°100.0°
O8C7C1H7122.4°120.0°
O8C7C1C694.2°39.7°
O8C7C1C283.4°140.0°
C1C7O8HO826.5°60.1°
C7C1C6C2177.6°179.7°
C7C1C2C3179.5°180.0°
C7C1C2H20.5°0.0°
C7C1C6C5179.9°179.9°
C7C1C6H60.1°0.0°
H7C7O8HO8141.6°180.0°
H7C7C1C628.2°159.7°
H7C7C1C2154.2°20.0°
C6C1C2C31.9°0.3°
C6C1C2H2178.1°179.7°
C1C6C5H6180.0°179.9°
C1C6C5C41.7°0.1°
C1C6C5H5178.3°179.9°
C1C2C3H2180.0°180.0°
C1C2C3C40.5°0.0°
C1C2C3H3179.4°180.0°
C2C1C6C52.5°0.2°
C2C1C6H6177.5°179.7°
C2C3C4H3180.0°180.0°
C2C3C4C50.3°0.3°
C2C3C4O1179.9°180.0°
H2C2C3C4179.5°180.0°
H2C2C3H30.6°0.0°
C3C4C5C60.3°0.3°
C3C4C5O1179.8°179.7°
C3C4C5H5179.7°179.7°
C3C4O1HO1124.7°90.3°
H3C3C4C5179.8°179.7°
H3C3C4O10.1°0.0°
C6C5C4H5180.0°180.0°
C6C5C4O1179.5°180.0°
H6C6C5C4178.3°180.0°
H6C6C5H51.7°0.0°
C5C4O1HO155.5°90.0°
H5C5C4O10.5°0.0°

218853

PDB entries from 2024-04-24

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