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JF6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.38Å1.43ÅAromatic
C1C6doub1.38Å1.41ÅAromatic
C2C3doub1.38Å1.39ÅAromatic
C6C5sing1.38Å1.40ÅAromatic
C3C4sing1.39Å1.40ÅAromatic
C5C4doub1.39Å1.43ÅAromatic
C4C7sing1.48Å1.45Å
C7C8sing1.47Å1.46ÅAromatic
C7N11doub1.31Å1.37ÅAromatic
C8N9doub1.30Å1.36ÅAromatic
C8N12sing1.39Å1.40Å
N11O10sing1.42Å1.38ÅAromatic
N9O10sing1.42Å1.40ÅAromatic
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
N12H121sing0.97Å1.00Å
N12H122sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6120.3°120.2°
C1C2C3118.8°120.1°
C2C1H1119.9°119.9°
C1C2H2120.6°119.9°
C1C6C5120.6°120.2°
C6C1H1119.8°119.9°
C1C6H6119.7°119.9°
C2C3C4121.4°119.9°
C3C2H2120.6°119.9°
C2C3H3119.3°120.1°
C6C5C4118.9°119.9°
C5C6H6119.7°119.9°
C6C5H5120.5°120.1°
C3C4C5119.9°119.8°
C3C4C7118.4°120.1°
C4C3H3119.3°120.1°
C5C4C7121.7°120.1°
C4C5H5120.6°120.1°
C4C7C8126.5°125.9°
C4C7N11123.6°125.9°
C8C7N11109.9°108.2°
C7C8N9106.6°108.3°
C7C8N12125.4°125.8°
C7N11O10104.3°107.9°
N9C8N12128.0°125.9°
C8N9O10106.5°107.9°
C8N12H121109.5°120.0°
C8N12H122109.5°120.0°
N11O10N9112.7°107.6°
H121N12H122109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°179.8°
C1C2C3H2180.0°180.0°
C2C1C6C51.4°0.0°
C1C2C3C41.4°0.0°
C2C1C6H6178.6°179.9°
C1C2C3H3178.6°180.0°
C6C1C2C31.4°0.0°
C1C6C5H6180.0°179.9°
C1C6C5C41.2°0.0°
C6C1C2H2178.5°180.0°
C1C6C5H5178.8°179.9°
C2C3C4H3180.0°179.9°
C2C3C4C51.2°0.1°
C2C3C4C7178.4°180.0°
C3C2C1H1178.5°179.7°
C6C5C4C31.1°0.1°
C6C5C4H5180.0°180.0°
C6C5C4C7178.5°180.0°
C5C6C1H1178.6°179.7°
C3C4C5C7179.5°180.0°
C3C4C7C8127.6°144.9°
C3C4C7N1152.4°35.3°
C4C3C2H2178.6°180.0°
C3C4C5H5179.0°179.9°
C5C4C7C851.9°35.1°
C5C4C7N11128.0°144.7°
C4C5C6H6178.8°179.9°
C5C4C3H3178.8°180.0°
C4C7C8N11180.0°179.8°
C4C7C8N9180.0°180.0°
C4C7C8N120.5°0.1°
C4C7N11O10179.6°180.0°
C7C4C3H31.7°0.0°
C7C4C5H51.5°0.1°
C7C8N9N12179.5°179.9°
C8C7N11O100.3°0.2°
C7C8N9O100.3°0.1°
C7C8N12H121179.4°0.1°
C7C8N12H12259.4°179.9°
N11C7C8N90.0°0.2°
N11C7C8N12179.5°179.7°
C7N11O10N90.6°0.2°
C8N9O10N110.6°0.1°
N9C8N12H1210.0°180.0°
N9C8N12H122120.0°0.0°
N12C8N9O10179.2°179.9°
C8N12H121H122120.0°180.0°
H1C1C2H21.5°0.2°
H1C1C6H61.4°0.3°
H2C2C3H31.4°0.1°
H6C6C5H51.2°0.1°

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PDB entries from 2024-09-11

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