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DHY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.43ÅAromatic
C1C6sing1.38Å1.41ÅAromatic
C1C7sing1.51Å1.55Å
C2C3sing1.39Å1.36ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.39Å1.39ÅAromatic
C3O3sing1.36Å1.37Å
C4C5sing1.39Å1.40ÅAromatic
C4O4sing1.36Å1.38Å
C5C6doub1.38Å1.42ÅAromatic
C5H5sing1.08Å1.10Å
C6H6sing1.08Å1.10Å
C7C8sing1.51Å1.58Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.11Å
C8O1doub1.21Å1.27Å
C8O2sing1.34Å1.24Å
O2HO2sing0.97Å0.95Å
O3HO3sing0.97Å0.95Å
O4HO4sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6121.1°120.2°
C2C1C7119.7°119.9°
C1C2C3117.9°120.0°
C1C2H2123.5°120.1°
C6C1C7118.9°119.9°
C1C6C5118.8°120.1°
C1C6H6120.1°120.0°
C1C7C8113.6°109.5°
C1C7H71110.7°109.5°
C1C7H72110.7°109.5°
C3C2H2118.6°120.0°
C2C3C4122.4°119.8°
C2C3O3121.8°120.1°
C4C3O3115.8°120.1°
C3C4C5121.0°119.9°
C3C4O4114.4°120.1°
C3O3HO3121.8°106.9°
C5C4O4124.5°120.1°
C4C5C6118.7°120.0°
C4C5H5119.7°120.1°
C4O4HO4114.5°106.9°
C6C5H5121.6°119.9°
C5C6H6121.1°119.9°
C8C7H71110.7°109.4°
C8C7H72110.7°109.5°
C7C8O1114.4°119.9°
C7C8O2120.9°120.1°
H71C7H7299.6°109.4°
O1C8O2124.7°120.0°
C8O2HO2120.9°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6C7173.9°179.7°
C1C2C3H2180.0°179.5°
C1C2C3C40.2°0.5°
C1C2C3O3177.7°179.8°
C2C1C6C50.6°0.3°
C2C1C6H6179.5°179.7°
C2C1C7C8105.0°90.4°
C2C1C7H7120.2°149.7°
C2C1C7H72129.7°29.8°
C6C1C2C30.4°0.5°
C6C1C2H2179.6°179.9°
C1C6C5C40.5°0.1°
C1C6C5H6179.9°180.0°
C1C6C5H5179.4°180.0°
C6C1C7C869.0°90.0°
C6C1C7H71165.8°30.0°
C6C1C7H7256.3°149.9°
C7C1C2C3174.2°179.8°
C7C1C2H25.8°0.2°
C7C1C6C5174.4°180.0°
C7C1C6H65.6°0.0°
C1C7C8H71125.2°120.0°
C1C7C8H72125.3°120.1°
C1C7H71H72116.5°120.0°
C1C7C8O189.6°0.1°
C1C7C8O290.5°180.0°
C2C3C4O3177.6°179.7°
C2C3C4C50.2°0.3°
C2C3C4O4178.1°179.8°
C2C3O3HO3180.0°89.8°
H2C2C3C4179.8°180.0°
H2C2C3O32.3°0.2°
C3C4C5O4178.1°180.0°
C3C4C5C60.4°0.1°
C3C4C5H5179.6°180.0°
C4C3O3HO32.4°90.0°
C3C4O4HO4180.0°90.0°
O3C3C4C5177.8°180.0°
O3C3C4O40.4°0.0°
C4C5C6H5179.9°179.9°
C4C5C6H6179.5°180.0°
C5C4O4HO41.8°90.0°
O4C4C5C6177.7°180.0°
O4C4C5H52.3°0.0°
H5C5C6H60.5°0.0°
C8C7H71H72116.6°120.0°
C7C8O1O2180.0°179.9°
C7C8O2HO2180.0°179.9°
H71C7C8O135.7°120.1°
H71C7C8O2144.3°60.0°
H72C7C8O1145.1°120.0°
H72C7C8O234.8°59.9°
O1C8O2HO20.0°0.0°

218853

PDB entries from 2024-04-24

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