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HF9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C5doub1.36Å1.38ÅAromatic
C6C1sing1.39Å1.39ÅAromatic
O7C1sing1.36Å1.37Å
C5C4sing1.40Å1.39ÅAromatic
C1C2doub1.39Å1.39ÅAromatic
O10C12sing1.45Å1.47Å
O10C9sing1.35Å1.34Å
C4C9sing1.47Å1.49Å
C4C3doub1.40Å1.41ÅAromatic
C2C3sing1.39Å1.38ÅAromatic
C9O11doub1.22Å1.21Å
C3O8sing1.36Å1.36Å
C6H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
C2H3sing1.08Å1.08Å
O7H4sing0.97Å0.95Å
O8H5sing0.97Å0.95Å
C12H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C6C1120.3°120.4°
C6C5C4120.9°120.1°
C5C6H1119.9°119.8°
C6C5H2119.6°120.0°
C6C1O7117.8°119.8°
C6C1C2120.0°120.3°
C1C6H1119.9°119.8°
O7C1C2122.2°119.9°
C1O7H4109.5°114.1°
C5C4C9120.6°120.1°
C5C4C3118.5°119.7°
C4C5H2119.6°119.9°
C1C2C3119.6°119.9°
C1C2H3120.2°120.0°
C12O10C9116.8°117.0°
O10C12H6109.5°109.5°
O10C12H7109.5°109.4°
O10C12H8109.5°109.5°
O10C9C4111.1°120.0°
O10C9O11124.0°120.0°
C9C4C3120.9°120.1°
C4C9O11124.9°120.0°
C4C3C2120.7°119.7°
C4C3O8121.1°120.2°
C2C3O8118.2°120.1°
C3C2H3120.2°120.1°
C3O8H5109.5°114.0°
H6C12H7109.5°109.5°
H6C12H8109.5°109.5°
H7C12H8109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C6C1H1180.0°179.9°
C5C6C1O7177.8°179.7°
C6C5C4H2180.0°180.0°
C5C6C1C21.5°0.1°
C6C5C4C9179.5°180.0°
C6C5C4C31.4°0.1°
C6C1O7C2179.2°179.6°
C1C6C5C40.2°0.0°
C6C1C2C31.2°0.1°
C1C6C5H2179.8°179.9°
C6C1C2H3178.8°179.9°
C6C1O7H4180.0°89.7°
O7C1C2C3178.1°179.7°
O7C1C6H12.3°0.4°
O7C1C2H31.9°0.3°
C5C4C9O101.9°0.0°
C5C4C9C3178.0°179.9°
C5C4C3C21.7°0.1°
C5C4C9O11176.2°180.0°
C5C4C3O8176.5°180.0°
C4C5C6H1179.8°179.9°
C1C2C3C40.5°0.0°
C1C2C3H3180.0°180.0°
C1C2C3O8177.8°180.0°
C2C1C6H1178.5°180.0°
C2C1O7H40.8°89.9°
C12O10C9C4165.2°180.0°
C12O10C9O1112.9°0.0°
O10C12H6H7120.0°120.0°
O10C12H6H8120.0°120.0°
O10C12H7H8120.0°120.0°
O10C9C4O11178.1°180.0°
O10C9C4C3179.9°180.0°
C9O10C12H6180.0°60.0°
C9O10C12H760.0°60.0°
C9O10C12H860.0°180.0°
C9C4C3C2179.8°180.0°
C9C4C3O81.6°0.0°
C9C4C5H20.5°0.0°
C4C3C2O8178.3°179.9°
C3C4C9O111.8°0.1°
C3C4C5H2178.6°180.0°
C4C3C2H3179.5°180.0°
C4C3O8H50.7°89.9°
C2C3O8H5179.0°90.0°
O8C3C2H32.2°0.0°
H1C6C5H20.2°0.0°
H6C12H7H8120.0°120.0°

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PDB entries from 2024-10-09

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