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7XM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N11C8sing1.39Å1.40Å
C9C8sing1.40Å1.40ÅAromatic
C9C5doub1.36Å1.36ÅAromatic
C8C6doub1.38Å1.39ÅAromatic
C5C1sing1.40Å1.39ÅAromatic
C6C3sing1.40Å1.38ÅAromatic
C1C3doub1.42Å1.41ÅAromatic
C1C2sing1.41Å1.41ÅAromatic
C3C12sing1.41Å1.40ÅAromatic
N7C2sing1.38Å1.39Å
C2N4doub1.32Å1.32ÅAromatic
C12C10doub1.36Å1.36ÅAromatic
N4C10sing1.33Å1.34ÅAromatic
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C10H3sing1.08Å1.08Å
N7H4sing0.97Å1.00Å
N7H5sing0.97Å1.00Å
C9H6sing1.08Å1.08Å
N11H7sing0.97Å1.00Å
N11H8sing0.97Å1.00Å
C12H9sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N11C8C9118.7°119.7°
N11C8C6119.6°119.6°
C8N11H7109.5°120.0°
C8N11H8109.5°120.0°
C8C9C5120.5°121.0°
C9C8C6121.7°120.7°
C8C9H6119.8°119.5°
C9C5C1118.8°119.7°
C9C5H1120.6°120.1°
C5C9H6119.8°119.5°
C8C6C3117.7°119.3°
C8C6H2121.1°120.3°
C5C1C3120.9°119.7°
C5C1C2120.3°121.9°
C1C5H1120.6°120.1°
C6C3C1120.4°119.6°
C6C3C12120.9°122.1°
C3C6H2121.1°120.4°
C3C1C2118.9°118.4°
C1C3C12118.8°118.3°
C1C2N7120.6°120.1°
C1C2N4119.3°119.8°
C3C12C10119.0°118.9°
C3C12H9120.5°120.6°
N7C2N4120.1°120.1°
C2N7H4109.5°120.0°
C2N7H5109.5°120.0°
C2N4C10123.0°122.6°
C12C10N4121.0°122.0°
C12C10H3119.5°119.1°
C10C12H9120.5°120.5°
N4C10H3119.5°119.0°
H4N7H5109.5°120.0°
H7N11H8109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N11C8C9C6180.0°179.2°
N11C8C9C5179.8°179.7°
N11C8C6C3179.8°179.9°
N11C8C6H20.3°0.6°
N11C8C9H60.2°0.8°
C8N11H7H8120.0°179.9°
C8C9C5H6180.0°179.5°
C8C9C5C10.8°0.1°
C9C8C6C30.3°0.8°
C8C9C5H1179.2°179.7°
C9C8C6H2179.7°179.8°
C9C8N11H7180.0°179.2°
C9C8N11H860.0°0.9°
C5C9C8C60.2°0.5°
C9C5C1H1180.0°179.7°
C9C5C1C30.9°0.3°
C9C5C1C2179.6°179.7°
C8C6C3H2180.0°179.5°
C8C6C3C10.2°0.5°
C8C6C3C12179.5°179.5°
C6C8C9H6179.8°180.0°
C6C8N11H70.1°0.0°
C6C8N11H8120.1°180.0°
C5C1C3C60.4°0.0°
C5C1C3C2179.5°180.0°
C5C1C3C12178.9°180.0°
C5C1C2N70.3°0.0°
C5C1C2N4179.7°180.0°
C1C5C9H6179.2°179.5°
C6C3C1C12179.4°180.0°
C6C3C1C2179.9°180.0°
C6C3C12C10180.0°179.9°
C6C3C12H90.0°0.0°
C3C1C2N7179.8°180.0°
C3C1C2N40.8°0.1°
C1C3C12C100.7°0.1°
C3C1C5H1179.1°179.9°
C1C3C6H2179.8°180.0°
C1C3C12H9179.3°180.0°
C2C1C3C120.5°0.1°
C1C2N7N4179.4°179.9°
C1C2N4C102.2°0.1°
C2C1C5H10.4°0.0°
C1C2N7H4179.3°0.0°
C1C2N7H560.7°179.9°
C3C12C10H9180.0°179.9°
C3C12C10N40.6°0.1°
C12C3C6H20.5°0.1°
C3C12C10H3179.4°180.0°
N7C2N4C10178.4°180.0°
C2N7H4H5120.0°179.9°
C2N4C10C122.1°0.1°
C2N4C10H3177.9°180.0°
N4C2N7H40.0°179.9°
N4C2N7H5120.0°0.0°
C12C10N4H3180.0°179.9°
N4C10C12H9179.4°180.0°
H1C5C9H60.8°0.2°
H3C10C12H90.6°0.1°

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PDB entries from 2024-10-09

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