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2F6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5N4sing1.46Å1.46Å
C6N4sing1.35Å1.34ÅAromatic
C6C7doub1.36Å1.37ÅAromatic
N4N3sing1.40Å1.39ÅAromatic
C9C10doub1.35Å1.34ÅAromatic
C9C8sing1.41Å1.41ÅAromatic
C7C8sing1.49Å1.50Å
C7C2sing1.41Å1.41ÅAromatic
N3C2doub1.31Å1.30ÅAromatic
C10N11sing1.35Å1.35ÅAromatic
C8N13doub1.32Å1.33ÅAromatic
C2C1sing1.51Å1.51Å
N11N13sing1.40Å1.39ÅAromatic
C5H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C6H4sing1.08Å1.08Å
C10H5sing1.08Å1.08Å
C1H6sing1.09Å1.10Å
C1H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C9H9sing1.08Å1.08Å
N11H10sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5N4C6127.8°125.9°
C5N4N3124.2°125.9°
N4C5H1109.5°109.5°
N4C5H2109.5°109.4°
N4C5H3109.5°109.5°
N4C6C7107.8°107.6°
C6N4N3108.0°108.2°
N4C6H4126.1°126.2°
C6C7C8125.3°126.3°
C6C7C2107.0°107.6°
C7C6H4126.1°126.2°
N4N3C2109.2°108.5°
C10C9C8109.0°107.8°
C9C10N11107.1°108.0°
C9C10H5126.5°126.0°
C10C9H9125.5°126.1°
C9C8C7124.4°126.0°
C9C8N13107.2°108.0°
C8C9H9125.5°126.1°
C8C7C2127.7°126.2°
C7C8N13128.4°126.0°
C7C2N3107.9°108.1°
C7C2C1128.1°125.9°
N3C2C1124.0°126.0°
C10N11N13109.2°108.2°
N11C10H5126.5°126.0°
C10N11H10125.4°125.9°
C8N13N11107.5°108.1°
C2C1H6109.5°109.5°
C2C1H7109.5°109.5°
C2C1H8109.5°109.5°
N13N11H10125.4°125.9°
H1C5H2109.5°109.5°
H1C5H3109.5°109.5°
H2C5H3109.5°109.4°
H6C1H7109.5°109.5°
H6C1H8109.5°109.5°
H7C1H8109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5N4C6N3179.8°180.0°
C5N4C6C7179.2°180.0°
C5N4N3C2179.9°180.0°
N4C5H1H2120.0°120.0°
N4C5H1H3120.0°120.1°
N4C5H2H3120.0°120.0°
C5N4C6H40.8°0.0°
N4C6C7H4180.0°180.0°
N4C6C7C8179.3°180.0°
N4C6C7C21.2°0.0°
C6N4N3C20.3°0.0°
C6N4C5H1179.8°90.0°
C6N4C5H260.2°150.0°
C6N4C5H359.8°30.0°
C7C6N4N30.6°0.0°
C6C7C8C929.6°0.3°
C6C7C8C2177.8°180.0°
C6C7C2N31.3°0.0°
C6C7C8N13150.9°179.9°
C6C7C2C1179.6°180.0°
N4N3C2C71.0°0.0°
N4N3C2C1179.9°180.0°
N3N4C5H10.0°90.0°
N3N4C5H2120.0°30.0°
N3N4C5H3120.0°150.0°
N3N4C6H4179.4°180.0°
C10C9C8H9180.0°180.0°
C10C9C8C7179.5°180.0°
C9C10N11H5180.0°179.9°
C10C9C8N130.1°0.3°
C9C10N11N130.0°0.0°
C9C10N11H10180.0°179.9°
C9C8C7N13179.5°179.6°
C9C8C7C2148.2°179.7°
C8C9C10N110.0°0.2°
C9C8N13N110.1°0.3°
C8C9C10H5179.9°179.8°
C8C7C2N3179.4°180.0°
C8C7C2C11.5°0.0°
C7C8N13N11179.5°180.0°
C8C7C6H40.7°0.0°
C7C8C9H90.5°0.1°
C7C2N3C1179.1°179.9°
C2C7C8N1331.3°0.1°
C2C7C6H4178.8°180.0°
C7C2C1H6179.0°90.0°
C7C2C1H758.9°30.0°
C7C2C1H861.0°150.0°
N3C2C1H60.0°90.1°
N3C2C1H7120.0°149.9°
N3C2C1H8120.0°30.0°
C10N11N13C80.1°0.2°
C10N11N13H10180.0°179.9°
N11C10C9H9179.9°179.9°
N13C8C9H9179.9°179.7°
C8N13N11H10179.9°179.7°
C2C1H6H7120.0°120.0°
C2C1H6H8120.0°120.0°
C2C1H7H8120.0°120.0°
N13N11C10H5180.0°179.9°
H1C5H2H3120.0°120.0°
H5C10C9H90.1°0.2°
H5C10N11H100.0°0.0°
H6C1H7H8120.0°120.0°

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PDB entries from 2024-03-27

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