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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.33Å1.36ÅAromatic
C2C3sing1.38Å1.39ÅAromatic
C3C4doub1.40Å1.35ÅAromatic
N1C5sing1.31Å1.38ÅAromatic
C4C6sing1.42Å1.38ÅAromatic
C5C6doub1.40Å1.39ÅAromatic
C2N7sing1.39Å1.41Å
C4C8sing1.40Å1.40ÅAromatic
C6C9sing1.40Å1.38ÅAromatic
C8C10doub1.36Å1.38ÅAromatic
C9C11doub1.36Å1.37ÅAromatic
C10C11sing1.39Å1.37ÅAromatic
C10H18sing1.08Å1.08Å
C11H19sing1.08Å1.08Å
C3H12sing1.08Å1.08Å
C5H13sing1.08Å1.08Å
N7H15sing0.97Å1.00Å
N7H14sing0.97Å1.00Å
C8H16sing1.08Å1.08Å
C9H17sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C2C3121.8°121.5°
C2N1C5119.2°122.7°
N1C2N7119.3°119.2°
C2C3C4119.2°118.5°
C3C2N7118.8°119.3°
C2C3H12120.4°120.7°
C3C4C6119.8°118.3°
C3C4C8119.0°122.1°
C4C3H12120.4°120.8°
N1C5C6118.9°120.1°
N1C5H13120.6°120.0°
C4C6C5121.0°118.8°
C6C4C8121.1°119.6°
C4C6C9119.6°119.2°
C5C6C9119.4°121.9°
C6C5H13120.5°119.9°
C2N7H15109.5°120.0°
C2N7H14109.5°120.0°
C4C8C10117.9°119.4°
C4C8H16121.1°120.3°
C6C9C11119.3°119.6°
C6C9H17120.3°120.2°
C8C10C11120.8°121.0°
C8C10H18119.6°119.4°
C10C8H16121.0°120.3°
C9C11C10121.2°121.1°
C9C11H19119.4°119.5°
C11C9H17120.4°120.2°
C11C10H18119.6°119.5°
C10C11H19119.3°119.4°
H15N7H14109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2C3N7179.3°180.0°
N1C2C3C41.5°0.0°
C2N1C5C61.5°0.1°
N1C2C3H12178.5°180.0°
C2N1C5H13178.5°180.0°
N1C2N7H150.0°0.1°
N1C2N7H14120.0°180.0°
C2C3C4H12180.0°179.9°
C3C2N1C50.6°0.0°
C2C3C4C62.8°0.0°
C2C3C4C8179.2°179.2°
C3C2N7H15179.3°179.9°
C3C2N7H1459.3°0.0°
C3C4C6C8178.0°179.2°
C3C4C6C51.9°0.1°
C4C3C2N7179.2°180.0°
C3C4C6C9179.2°180.0°
C3C4C8C10177.8°179.7°
C3C4C8H162.2°0.3°
N1C5C6C40.3°0.1°
N1C5C6H13180.0°180.0°
C5N1C2N7178.6°180.0°
N1C5C6C9178.6°180.0°
C4C6C5C9178.9°179.9°
C6C4C8C100.2°0.5°
C4C6C9C111.7°0.5°
C6C4C3H12177.3°179.9°
C4C6C5H13179.7°179.9°
C6C4C8H16179.8°179.5°
C4C6C9H17178.2°179.9°
C5C6C4C8179.9°179.2°
C5C6C9C11179.4°179.4°
C5C6C9H170.6°0.0°
N7C2C3H120.8°0.1°
C2N7H15H14120.0°180.0°
C8C4C6C91.2°0.7°
C4C8C10H16180.0°180.0°
C4C8C10C111.2°0.0°
C4C8C10H18178.7°179.8°
C8C4C3H120.8°0.9°
C6C9C11H17180.0°179.5°
C6C9C11C100.8°0.0°
C6C9C11H19179.2°180.0°
C9C6C5H131.4°0.0°
C8C10C11C90.7°0.3°
C8C10C11H18180.0°179.8°
C8C10C11H19179.3°179.7°
C9C11C10H19180.0°180.0°
C9C11C10H18179.2°179.9°
C11C10C8H16178.8°180.0°
C10C11C9H17179.2°179.4°
H18C10C11H190.8°0.0°
H18C10C8H161.3°0.2°
H19C11C9H170.8°0.5°

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PDB entries from 2024-07-24

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