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F05

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C1sing1.38Å1.40ÅAromatic
C1C2doub1.38Å1.40ÅAromatic
C1H1sing1.08Å1.08Å
C3C2sing1.38Å1.40ÅAromatic
C2H2sing1.08Å1.08Å
C4C3doub1.39Å1.40ÅAromatic
C3H3sing1.08Å1.08Å
C9C4sing1.48Å1.50Å
C5C4sing1.40Å1.39ÅAromatic
C7C5sing1.51Å1.53Å
C5C6doub1.37Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
N8C7sing1.47Å1.46Å
C7H7sing1.09Å1.10Å
N8C9doub1.30Å1.29Å
C9N10sing1.38Å1.36Å
N10HN10sing0.97Å1.00Å
N10HN1Asing0.97Å1.00Å
C7H4sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C1C2120.8°120.1°
C6C1H1119.6°120.0°
C1C6C5115.8°119.9°
C1C6H6122.1°120.0°
C2C1H1119.6°119.9°
C1C2C3122.8°120.3°
C1C2H2118.6°119.8°
C3C2H2118.6°119.8°
C2C3C4116.2°119.8°
C2C3H3121.9°120.1°
C4C3H3121.9°120.1°
C3C4C9134.1°132.7°
C3C4C5120.8°119.3°
C9C4C5105.1°107.9°
C4C9N8111.7°111.0°
C4C9N10124.9°124.5°
C4C5C7108.7°105.7°
C4C5C6123.5°120.4°
C7C5C6127.7°133.9°
C5C7N8103.0°105.9°
C5C7H7111.1°110.2°
C5C7H4111.0°110.2°
C5C6H6122.1°120.0°
N8C7H7111.1°110.1°
C7N8C9111.4°109.5°
N8C7H4111.0°110.2°
H7C7H4109.5°110.1°
N8C9N10123.3°124.5°
C9N10HN10120.0°120.0°
C9N10HN1A120.0°120.0°
HN10N10HN1A120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C1C2H1180.0°179.7°
C6C1C2C31.9°0.3°
C6C1C2H2178.1°179.7°
C1C6C5C41.2°0.6°
C1C6C5C7177.3°179.8°
C1C6C5H6180.0°179.5°
C1C2C3H2180.0°180.0°
C1C2C3C40.1°0.0°
C1C2C3H3179.9°180.0°
C2C1C6C51.2°0.6°
C2C1C6H6178.8°180.0°
H1C1C2C3178.1°180.0°
H1C1C2H21.9°0.0°
H1C1C6C5178.8°179.8°
H1C1C6H61.2°0.3°
C2C3C4H3180.0°180.0°
C2C3C4C9178.9°180.0°
C2C3C4C52.4°0.0°
H2C2C3C4179.9°180.0°
H2C2C3H30.1°0.0°
C3C4C9C5178.9°180.0°
C3C4C5C7179.8°180.0°
C3C4C5C63.1°0.3°
C3C4C9N8177.9°180.0°
C3C4C9N104.1°0.1°
H3C3C4C91.1°0.0°
H3C3C4C5177.7°180.0°
C9C4C5C71.1°0.0°
C9C4C5C6177.8°179.7°
C4C9N8C74.0°0.0°
C4C9N8N10178.0°179.9°
C4C9N10HN10177.8°180.0°
C4C9N10HN1A2.2°0.1°
C4C5C7C6176.5°179.7°
C4C5C6H6178.7°180.0°
C4C5C7N81.0°0.0°
C4C5C7H7120.0°119.1°
C5C4C9N83.2°0.0°
C5C4C9N10174.8°180.0°
C4C5C7H4117.9°119.2°
C7C5C6H62.7°0.3°
C5C7N8H7119.0°119.1°
C5C7N8H4118.9°119.1°
C5C7H7H4123.0°121.8°
C5C7N8C93.1°0.0°
C6C5C7N8175.5°179.7°
C6C5C7H756.5°60.6°
C6C5C7H465.6°61.2°
N8C7H7H4123.0°121.8°
C7N8C9N10174.0°180.0°
H7C7N8C9122.1°119.2°
N8C9N10HN100.0°0.1°
N8C9N10HN1A180.0°180.0°
C9N8C7H4115.8°119.1°
C9N10HN10HN1A180.0°180.0°

246704

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