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FBB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F10C5sing1.35Å1.35Å
C5C4doub1.38Å1.39ÅAromatic
C5C6sing1.39Å1.39ÅAromatic
C4C3sing1.39Å1.38ÅAromatic
C6C1doub1.37Å1.39ÅAromatic
C3S9sing1.76Å1.68ÅAromatic
C3C2doub1.40Å1.49ÅAromatic
S9C8sing1.76Å1.73ÅAromatic
C1C2sing1.41Å1.38ÅAromatic
C2N7sing1.35Å1.37ÅAromatic
C8N7doub1.29Å1.36ÅAromatic
C8N11sing1.38Å1.35Å
C6H1sing1.08Å1.08Å
C1H2sing1.08Å1.08Å
C4H3sing1.08Å1.08Å
N11H4sing0.97Å1.00Å
N11H5sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F10C5C4119.3°120.0°
F10C5C6119.1°120.0°
C4C5C6121.6°119.9°
C5C4C3117.5°120.2°
C5C4H3121.3°119.9°
C5C6C1122.3°120.6°
C5C6H1118.8°119.7°
C4C3S9125.0°131.2°
C4C3C2121.6°120.4°
C3C4H3121.2°119.9°
C6C1C2119.0°120.5°
C1C6H1118.8°119.8°
C6C1H2120.5°119.8°
S9C3C2113.4°108.5°
C3S9C888.8°90.4°
C3C2C1118.1°118.5°
C3C2N7109.9°112.8°
S9C8N7116.0°110.4°
S9C8N11122.1°124.8°
C1C2N7132.0°128.7°
C2C1H2120.5°119.7°
C2N7C8111.9°117.8°
N7C8N11121.8°124.8°
C8N11H4109.5°120.0°
C8N11H5109.4°120.1°
H4N11H5109.5°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F10C5C4C6179.9°179.8°
F10C5C4C3180.0°180.0°
F10C5C6C1179.8°180.0°
F10C5C6H10.1°0.1°
F10C5C4H30.0°0.0°
C5C4C3H3180.0°179.9°
C4C5C6C10.1°0.2°
C5C4C3S9179.7°179.9°
C5C4C3C20.2°0.1°
C4C5C6H1179.9°179.8°
C6C5C4C30.0°0.2°
C5C6C1H1180.0°179.9°
C5C6C1C20.1°0.0°
C5C6C1H2179.9°179.9°
C6C5C4H3180.0°179.7°
C4C3S9C2179.6°179.9°
C4C3S9C8179.9°180.0°
C4C3C2C10.2°0.4°
C4C3C2N7179.6°179.9°
C6C1C2C30.0°0.4°
C6C1C2H2180.0°179.9°
C6C1C2N7179.7°179.8°
S9C3C2C1179.8°179.6°
S9C3C2N70.0°0.1°
C3S9C8N70.6°0.0°
C3S9C8N11180.0°180.0°
S9C3C4H30.3°0.0°
C2C3S9C80.3°0.1°
C3C2C1N7179.7°179.4°
C3C2N7C80.5°0.1°
C3C2C1H2180.0°179.7°
C2C3C4H3179.8°179.9°
S9C8N7C20.7°0.1°
S9C8N7N11179.4°180.0°
S9C8N11H40.0°0.0°
S9C8N11H5120.0°180.0°
C1C2N7C8179.8°179.6°
C2C1C6H1179.9°179.9°
C2N7C8N11179.9°179.9°
N7C2C1H20.3°0.3°
N7C8N11H4179.3°180.0°
N7C8N11H559.3°0.0°
C8N11H4H5120.0°180.0°
H1C6C1H20.1°0.0°

222036

PDB entries from 2024-07-03

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