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PQR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3N3doub1.22Å1.39Å
N3N2sing1.29Å1.33Å
N2C10sing1.46Å1.46Å
N2C9sing1.40Å1.41Å
C4C9doub1.39Å1.49ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
C9C8sing1.39Å1.39ÅAromatic
C5C6doub1.39Å1.38ÅAromatic
C8C7doub1.38Å1.39ÅAromatic
C6C7sing1.39Å1.49ÅAromatic
C6O5sing1.36Å1.25Å
C7O4sing1.36Å1.25Å
C10H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C5H7sing1.08Å1.08Å
O5H2sing0.97Å0.95Å
O4H15sing0.97Å0.95Å
C4H8sing1.08Å1.08Å
C8H1sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3N3N2118.9°120.0°
N3N2C10118.0°120.0°
N3N2C9122.2°120.0°
C10N2C9119.6°120.0°
N2C10H4109.5°109.5°
N2C10H5109.4°109.5°
N2C10H6109.5°109.5°
N2C9C4121.7°120.0°
N2C9C8119.8°120.0°
C9C4C5121.7°120.0°
C4C9C8118.4°120.0°
C9C4H8119.2°120.0°
C4C5C6119.7°120.1°
C4C5H7120.2°120.0°
C5C4H8119.2°120.0°
C9C8C7120.0°119.9°
C9C8H1120.0°120.1°
C5C6C7119.3°120.0°
C5C6O5119.5°120.0°
C6C5H7120.2°119.9°
C8C7C6121.0°119.9°
C8C7O4120.9°120.1°
C7C8H1120.0°120.0°
C7C6O5121.2°120.0°
C6C7O4118.1°120.0°
C6O5H2109.5°114.0°
C7O4H15109.5°113.9°
H4C10H5109.5°109.5°
H4C10H6109.5°109.5°
H5C10H6109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3N3N2C1017.0°0.0°
O3N3N2C9157.8°180.0°
N3N2C10C9175.0°179.9°
N3N2C9C414.9°180.0°
N3N2C9C8167.5°0.1°
N3N2C10H4180.0°90.0°
N3N2C10H560.0°30.0°
N3N2C10H660.0°149.9°
C10N2C9C4159.8°0.1°
C10N2C9C817.8°180.0°
N2C10H4H5120.0°120.0°
N2C10H4H6120.0°120.1°
N2C10H5H6120.0°120.0°
N2C9C4C8177.6°179.9°
N2C9C4C5179.3°179.8°
N2C9C8C7179.0°180.0°
C9N2C10H45.1°90.0°
C9N2C10H5115.0°150.0°
C9N2C10H6125.0°30.0°
N2C9C4H80.7°0.1°
N2C9C8H11.0°0.0°
C9C4C5H8180.0°179.7°
C9C4C5C61.0°0.5°
C4C9C8C71.3°0.1°
C9C4C5H7179.0°179.9°
C4C9C8H1178.7°179.9°
C5C4C9C81.7°0.3°
C4C5C6H7180.0°179.6°
C4C5C6C70.0°0.5°
C4C5C6O5179.6°179.8°
C9C8C7H1180.0°180.0°
C9C8C7C60.3°0.0°
C9C8C7O4179.3°180.0°
C8C9C4H8178.4°180.0°
C5C6C7C80.3°0.2°
C5C6C7O5179.6°179.8°
C5C6C7O4180.0°179.8°
C5C6O5H2180.0°90.3°
C6C5C4H8179.0°179.8°
C8C7C6O4179.7°180.0°
C8C7C6O5179.2°180.0°
C8C7O4H15180.0°90.0°
C7C6C5H7180.0°179.9°
C7C6O5H20.4°90.0°
C6C7O4H150.3°90.0°
C6C7C8H1179.7°180.0°
O5C6C7O40.5°0.0°
O5C6C5H70.4°0.2°
O4C7C8H10.7°0.0°
H4C10H5H6120.0°119.9°
H7C5C4H81.0°0.2°

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PDB entries from 2024-08-07

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