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3DM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1sing1.36Å1.34Å
O1HO1sing0.97Å0.95Å
C2C1doub1.39Å1.49ÅAromatic
C1C6sing1.39Å1.50ÅAromatic
O2C2sing1.36Å1.37Å
C3C2sing1.39Å1.40ÅAromatic
C7O2sing1.43Å1.42Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C7H7Bsing1.09Å1.10Å
C3C4doub1.38Å1.40ÅAromatic
C3H3sing1.08Å1.08Å
C4C5sing1.38Å1.40ÅAromatic
C4H4sing1.08Å1.08Å
C5C6doub1.39Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
C6O3sing1.36Å1.38Å
O3C8sing1.43Å1.43Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C8H8Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1O1HO1109.5°114.0°
O1C1C2119.5°120.1°
O1C1C6123.6°120.1°
C2C1C6116.9°119.8°
C1C2O2119.5°120.0°
C1C2C3120.1°119.9°
C1C6C5118.4°119.9°
C1C6O3125.1°120.0°
O2C2C3120.5°120.0°
C2O2C7120.0°117.0°
C2C3C4121.2°120.1°
C2C3H3119.4°120.0°
O2C7H7109.5°109.4°
O2C7H7A109.5°109.4°
O2C7H7B109.4°109.4°
H7C7H7A109.5°109.5°
H7C7H7B109.5°109.5°
H7AC7H7B109.5°109.5°
C4C3H3119.4°119.9°
C3C4C5121.0°120.2°
C3C4H4119.5°119.9°
C5C4H4119.5°119.9°
C4C5C6122.5°120.1°
C4C5H5118.8°120.0°
C6C5H5118.8°120.0°
C5C6O3116.5°120.0°
C6O3C8126.5°117.0°
O3C8H8109.5°109.4°
O3C8H8A109.5°109.5°
O3C8H8B109.4°109.4°
H8C8H8A109.5°109.5°
H8C8H8B109.5°109.5°
H8AC8H8B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2C6179.8°179.7°
O1C1C2O20.1°0.1°
O1C1C2C3179.8°180.0°
O1C1C6C5179.9°179.7°
O1C1C6O30.4°0.0°
HO1O1C1C2178.3°89.8°
HO1O1C1C61.5°90.0°
C1C2O2C3179.7°179.9°
C1C2O2C7121.2°180.0°
C1C2C3C40.3°0.0°
C1C2C3H3179.7°180.0°
C2C1C6C50.3°0.6°
C2C1C6O3179.4°179.8°
C6C1C2O2179.9°179.7°
C6C1C2C30.4°0.2°
C1C6C5C40.2°0.6°
C1C6C5O3179.7°179.7°
C1C6C5H5179.8°179.7°
C1C6O3C81.0°180.0°
C2O2C7H7128.5°180.0°
C2O2C7H7A8.5°60.0°
C2O2C7H7B111.5°60.0°
O2C2C3C4179.9°180.0°
O2C2C3H30.1°0.1°
C3C2O2C758.6°0.1°
C2C3C4H3180.0°180.0°
C2C3C4C50.2°0.0°
C2C3C4H4179.8°179.9°
O2C7H7H7A120.0°120.0°
O2C7H7H7B120.0°120.0°
O2C7H7AH7B120.0°120.0°
H7C7H7AH7B120.0°120.1°
C3C4C5H4180.0°179.9°
C3C4C5C60.1°0.3°
C3C4C5H5179.9°179.9°
H3C3C4C5179.8°180.0°
H3C3C4H40.2°0.1°
C4C5C6H5180.0°179.7°
C4C5C6O3179.5°179.7°
H4C4C5C6179.9°179.8°
H4C4C5H50.1°0.0°
C5C6O3C8179.3°0.3°
H5C5C6O30.5°0.0°
C6O3C8H8178.2°60.0°
C6O3C8H8A58.2°60.0°
C6O3C8H8B61.8°180.0°
O3C8H8H8A120.0°120.0°
O3C8H8H8B120.0°120.0°
O3C8H8AH8B120.0°120.0°
H8C8H8AH8B120.0°120.1°

246704

PDB entries from 2025-12-24

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