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1P8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
BR1C2sing1.89Å1.89Å
C3C2doub1.38Å1.38ÅAromatic
C3C4sing1.38Å1.38ÅAromatic
C2C11sing1.38Å1.38ÅAromatic
C4C5doub1.38Å1.38ÅAromatic
C11C10doub1.39Å1.40ÅAromatic
C5C10sing1.39Å1.39ÅAromatic
C5C6sing1.51Å1.51Å
C10N9sing1.40Å1.40Å
C6C7sing1.51Å1.51Å
N9C7sing1.34Å1.35Å
C7O8doub1.21Å1.22Å
C6H1sing1.09Å1.10Å
C6H2sing1.09Å1.10Å
N9H3sing0.97Å1.00Å
C11H4sing1.08Å1.08Å
C4H5sing1.08Å1.08Å
C3H6sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
BR1C2C3118.3°119.8°
BR1C2C11120.2°119.8°
C2C3C4119.4°119.8°
C3C2C11121.5°120.4°
C2C3H6120.3°120.1°
C3C4C5119.6°119.9°
C3C4H5120.2°120.1°
C4C3H6120.3°120.1°
C2C11C10119.1°120.1°
C2C11H4120.4°120.0°
C4C5C10121.6°120.8°
C4C5C6132.1°132.9°
C5C4H5120.2°120.0°
C11C10C5118.7°119.0°
C11C10N9131.2°130.8°
C10C11H4120.4°120.0°
C10C5C6106.3°106.3°
C5C10N9110.1°110.3°
C5C6C7104.6°104.1°
C5C6H1110.7°110.5°
C5C6H2110.7°110.6°
C10N9C7112.1°112.2°
C10N9H3123.9°123.9°
C6C7N9106.9°107.1°
C6C7O8125.9°126.4°
C7C6H1110.7°110.5°
C7C6H2110.7°110.5°
N9C7O8127.1°126.4°
C7N9H3123.9°123.9°
H1C6H2109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
BR1C2C3C11179.6°180.0°
BR1C2C3C4179.6°179.8°
BR1C2C11C10179.9°179.9°
BR1C2C11H40.1°0.0°
BR1C2C3H60.4°0.0°
C2C3C4H6180.0°179.8°
C2C3C4C50.3°0.2°
C3C2C11C100.5°0.1°
C3C2C11H4179.6°180.0°
C2C3C4H5179.7°179.8°
C4C3C2C110.8°0.1°
C3C4C5H5180.0°180.0°
C3C4C5C100.4°0.0°
C3C4C5C6179.8°179.9°
C2C11C10H4180.0°179.9°
C2C11C10C50.3°0.3°
C2C11C10N9179.8°180.0°
C11C2C3H6179.2°180.0°
C4C5C10C110.7°0.2°
C4C5C10C6179.5°180.0°
C4C5C10N9179.4°180.0°
C4C5C6C7179.8°179.8°
C4C5C6H161.0°61.2°
C4C5C6H260.6°61.5°
C5C4C3H6179.7°180.0°
C11C10C5N9179.9°179.8°
C11C10C5C6179.8°179.8°
C11C10N9C7179.3°179.9°
C11C10N9H30.7°0.0°
C10C5C6C70.3°0.1°
C5C10N9C70.6°0.2°
C10C5C6H1119.5°118.8°
C10C5C6H2118.9°118.6°
C5C10N9H3179.4°179.8°
C5C10C11H4179.7°179.8°
C10C5C4H5179.6°180.0°
C6C5C10N90.1°0.0°
C5C6C7H1119.2°118.6°
C5C6C7H2119.2°118.8°
C5C6C7N90.7°0.2°
C5C6C7O8180.0°180.0°
C5C6H1H2122.3°122.7°
C6C5C4H50.2°0.0°
C10N9C7C60.8°0.2°
C10N9C7H3180.0°179.9°
C10N9C7O8179.9°180.0°
N9C10C11H40.2°0.1°
C6C7N9O8179.3°179.8°
C7C6H1H2122.3°122.6°
C6C7N9H3179.2°179.7°
N9C7C6H1119.9°118.9°
N9C7C6H2118.5°118.6°
O8C7C6H160.8°61.4°
O8C7C6H260.8°61.2°
O8C7N9H30.2°0.1°
H5C4C3H60.4°0.0°

224004

PDB entries from 2024-08-21

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