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8SD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5C4doub1.38Å1.38ÅAromatic
C5C6sing1.39Å1.40ÅAromatic
O1C6sing1.36Å1.37Å
C4C3sing1.39Å1.38ÅAromatic
C6C7doub1.39Å1.39ÅAromatic
C3N1sing1.40Å1.40Å
C3C8doub1.39Å1.39ÅAromatic
C7C8sing1.38Å1.38ÅAromatic
N1C2sing1.34Å1.35Å
C8C1sing1.51Å1.50Å
C2C1sing1.51Å1.53Å
C2O2doub1.21Å1.22Å
N1H1sing0.97Å1.00Å
C4H2sing1.08Å1.08Å
C5H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C1H5sing1.09Å1.10Å
C1H6sing1.09Å1.10Å
O1H7sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C5C6121.4°120.3°
C5C4C3117.6°120.2°
C5C4H2121.2°119.9°
C4C5H3119.3°119.9°
C5C6O1118.6°120.2°
C5C6C7120.6°119.7°
C6C5H3119.3°119.8°
O1C6C7120.8°120.1°
C6O1H7109.5°114.0°
C4C3N1128.0°130.8°
C4C3C8121.4°119.1°
C3C4H2121.2°119.9°
C6C7C8117.5°119.9°
C6C7H4121.2°120.1°
N1C3C8110.6°110.1°
C3N1C2107.3°112.3°
C3N1H1126.3°123.8°
C3C8C7121.4°120.8°
C3C8C1110.4°106.4°
C7C8C1128.2°132.8°
C8C7H4121.2°120.0°
N1C2C1113.3°107.1°
N1C2O2123.3°126.5°
C2N1H1126.4°123.9°
C8C1C298.5°104.1°
C8C1H5112.2°110.5°
C8C1H6112.1°110.5°
C1C2O2123.4°126.4°
C2C1H5112.1°110.4°
C2C1H6112.2°110.7°
H5C1H6109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C5C6H3180.0°180.0°
C4C5C6O1179.3°180.0°
C5C4C3H2180.0°179.9°
C4C5C6C70.7°0.0°
C5C4C3N1179.4°180.0°
C5C4C3C80.6°0.0°
C5C6O1C7180.0°180.0°
C6C5C4C30.9°0.0°
C5C6C7C80.2°0.0°
C6C5C4H2179.2°180.0°
C5C6C7H4179.8°180.0°
C5C6O1H7180.0°89.9°
O1C6C7C8179.8°180.0°
O1C6C5H30.7°0.0°
O1C6C7H40.2°0.0°
C4C3N1C8180.0°180.0°
C4C3C8C70.2°0.1°
C4C3N1C2179.5°180.0°
C4C3C8C1179.7°179.7°
C4C3N1H10.4°0.2°
C3C4C5H3179.1°180.0°
C6C7C8C30.1°0.1°
C6C7C8H4180.0°179.9°
C6C7C8C1179.9°179.7°
C7C6C5H3179.3°180.0°
C7C6O1H70.0°90.0°
N1C3C8C7179.8°180.0°
C3N1C2H1180.0°179.8°
N1C3C8C10.3°0.3°
C3N1C2C11.1°0.2°
C3N1C2O2178.7°179.7°
N1C3C4H20.6°0.1°
C3C8C7C1179.8°179.7°
C8C3N1C20.5°0.0°
C3C8C1C20.8°0.4°
C8C3N1H1179.5°179.8°
C8C3C4H2179.4°179.9°
C3C8C7H4179.9°180.0°
C3C8C1H5119.0°119.0°
C3C8C1H6117.3°118.6°
C7C8C1C2179.3°179.9°
C7C8C1H561.2°61.3°
C7C8C1H662.5°61.2°
N1C2C1C81.1°0.4°
N1C2C1O2179.8°180.0°
N1C2C1H5119.3°119.0°
N1C2C1H6117.0°118.4°
C8C1C2H5118.2°118.7°
C8C1C2H6118.1°118.8°
C8C1C2O2178.6°179.6°
C1C8C7H40.1°0.3°
C8C1H5H6125.1°122.6°
C1C2N1H1179.0°180.0°
C2C1H5H6125.2°122.8°
O2C2N1H11.3°0.0°
O2C2C1H560.4°61.0°
O2C2C1H663.2°61.6°
H2C4C5H30.9°0.1°

248636

PDB entries from 2026-02-04

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