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3OP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C7C9doub1.38Å1.33ÅAromatic
C7C5sing1.38Å1.32ÅAromatic
C9N11sing1.32Å1.35ÅAromatic
C5C3doub1.39Å1.34ÅAromatic
N11C1doub1.32Å1.31ÅAromatic
C3C1sing1.39Å1.30ÅAromatic
C3O13sing1.36Å1.36Å
C2N12doub1.32Å1.30ÅAromatic
C2C4sing1.39Å1.32ÅAromatic
N12C10sing1.32Å1.36ÅAromatic
O13C4sing1.36Å1.33Å
C4C6doub1.39Å1.37ÅAromatic
C10C8doub1.38Å1.37ÅAromatic
C6C8sing1.39Å1.37ÅAromatic
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C7H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C9H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C2H7sing1.08Å1.08Å
C1H8sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C9C7C5117.5°119.3°
C7C9N11120.0°120.9°
C9C7H3121.3°120.3°
C7C9H5120.0°119.5°
C7C5C3122.7°118.4°
C7C5H1118.7°120.9°
C5C7H3121.3°120.4°
C9N11C1120.4°121.8°
N11C9H5120.0°119.6°
C5C3C1118.5°119.0°
C5C3O13120.2°120.5°
C3C5H1118.6°120.8°
N11C1C3120.9°120.7°
N11C1H8119.6°119.6°
C1C3O13121.3°120.5°
C3C1H8119.6°119.7°
C3O13C4121.0°118.0°
N12C2C4121.5°120.7°
C2N12C10119.7°121.8°
N12C2H7119.2°119.7°
C2C4O13119.4°120.5°
C2C4C6121.5°119.0°
C4C2H7119.3°119.7°
N12C10C8120.8°120.8°
N12C10H6119.6°119.6°
O13C4C6119.1°120.5°
C4C6C8118.2°118.4°
C4C6H2120.9°120.8°
C10C8C6118.3°119.2°
C10C8H4120.9°120.3°
C8C10H6119.6°119.6°
C8C6H2120.9°120.8°
C6C8H4120.8°120.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C9C7C5H3180.0°179.9°
C7C9N11H5180.0°180.0°
C9C7C5C31.4°0.0°
C7C9N11C11.9°0.4°
C9C7C5H1178.6°179.7°
C5C7C9N111.8°0.1°
C7C5C3H1180.0°179.7°
C7C5C3C10.9°0.3°
C7C5C3O13178.7°179.7°
C5C7C9H5178.2°180.0°
C9N11C1C31.4°0.7°
N11C9C7H3178.1°180.0°
C9N11C1H8178.6°180.0°
C5C3C1N110.9°0.6°
C5C3C1O13177.8°180.0°
C5C3O13C4113.6°89.9°
C3C5C7H3178.6°180.0°
C5C3C1H8179.1°179.9°
N11C1C3H8180.0°179.3°
N11C1C3O13178.7°179.4°
C1N11C9H5178.2°179.6°
C1C3O13C468.6°90.0°
C1C3C5H1179.1°180.0°
C3O13C4C274.9°180.0°
C3O13C4C6104.8°0.2°
O13C3C5H11.3°0.0°
O13C3C1H81.3°0.1°
N12C2C4H7180.0°180.0°
N12C2C4O13179.8°179.7°
N12C2C4C60.5°0.0°
C2N12C10C80.1°0.1°
C2N12C10H6179.9°180.0°
C4C2N12C100.3°0.0°
C2C4O13C6179.7°179.8°
C2C4C6C80.5°0.0°
C2C4C6H2179.5°179.9°
N12C10C8H6180.0°179.9°
N12C10C8C60.0°0.1°
N12C10C8H4180.0°180.0°
C10N12C2H7179.7°179.9°
O13C4C6C8179.9°179.8°
O13C4C6H20.1°0.3°
O13C4C2H70.2°0.2°
C4C6C8C100.2°0.1°
C4C6C8H2180.0°179.9°
C4C6C8H4179.8°180.0°
C6C4C2H7179.5°180.0°
C10C8C6H4180.0°179.9°
C10C8C6H2179.8°179.9°
C6C8C10H6180.0°180.0°
H1C5C7H31.4°0.4°
H2C6C8H40.2°0.1°
H3C7C9H51.8°0.1°
H4C8C10H60.0°0.1°

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PDB entries from 2024-10-09

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