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JF8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N01C02sing1.38Å1.44Å
C02N03sing1.35Å1.35ÅAromatic
C02C15doub1.39Å1.39ÅAromatic
N03N04sing1.40Å1.36ÅAromatic
C15C16sing1.43Å1.51Å
C15C05sing1.47Å1.39ÅAromatic
C16N17trip1.14Å1.15Å
N04C05doub1.31Å1.33ÅAromatic
C05C06sing1.48Å1.53Å
C06C07doub1.40Å1.42ÅAromatic
C06C14sing1.39Å1.39ÅAromatic
C07C08sing1.36Å1.40ÅAromatic
C14C10doub1.39Å1.43ÅAromatic
C08C09doub1.40Å1.43ÅAromatic
C10C09sing1.41Å1.38ÅAromatic
C10N11sing1.38Å1.37ÅAromatic
C09C13sing1.46Å1.44ÅAromatic
N11C12sing1.37Å1.34ÅAromatic
C13C12doub1.34Å1.39ÅAromatic
C13H1sing1.08Å1.08Å
N01H2sing0.97Å1.00Å
N01H3sing0.97Å1.00Å
N03H4sing0.97Å1.00Å
C07H5sing1.08Å1.08Å
C08H6sing1.08Å1.08Å
N11H7sing0.97Å1.00Å
C12H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N01C02N03126.1°126.2°
N01C02C15125.9°126.2°
C02N01H2109.5°120.0°
C02N01H3109.5°120.0°
N03C02C15108.0°107.6°
C02N03N04107.9°109.6°
C02N03H4126.1°125.2°
C02C15C16122.4°126.9°
C02C15C05106.1°106.3°
N03N04C05109.9°109.4°
N04N03H4126.0°125.1°
C16C15C05131.4°126.8°
C15C16N17176.7°180.0°
C15C05N04108.0°107.1°
C15C05C06131.2°126.5°
N04C05C06120.2°126.4°
C05C06C07121.8°119.8°
C05C06C14115.5°119.8°
C07C06C14122.1°120.4°
C06C07C08118.8°120.4°
C06C07H5120.6°119.8°
C06C14C10118.1°119.7°
C06C14H9120.9°120.1°
C07C08C09119.7°119.9°
C08C07H5120.6°119.8°
C07C08H6120.1°120.0°
C14C10C09120.6°119.5°
C14C10N11130.7°133.4°
C10C14H9120.9°120.2°
C08C09C10120.6°120.1°
C08C09C13133.7°133.8°
C09C08H6120.2°120.1°
C09C10N11108.7°107.1°
C10C09C13105.7°106.1°
C10N11C12110.1°109.9°
C10N11H7124.9°125.0°
C09C13C12107.3°107.0°
C09C13H1126.3°126.5°
N11C12C13108.3°109.9°
C12N11H7125.0°125.1°
N11C12H8125.9°125.1°
C12C13H1126.3°126.5°
C13C12H8125.9°125.0°
H2N01H3109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N01C02N03C15179.4°179.9°
N01C02N03N04179.8°179.9°
N01C02C15C160.6°0.0°
N01C02C15C05178.4°179.7°
C02N01H2H3120.0°179.9°
N01C02N03H40.3°0.1°
C02N03N04H4180.0°179.9°
N03C02C15C16178.8°179.9°
N03C02C15C051.1°0.3°
C02N03N04C052.5°0.3°
N03C02N01H2180.0°0.1°
N03C02N01H360.0°180.0°
C15C02N03N040.8°0.0°
C02C15C16C05177.1°179.6°
C02C15C16N170.9°132.9°
C02C15C05N042.6°0.5°
C02C15C05C06173.9°179.7°
C15C02N01H20.7°180.0°
C15C02N01H3119.3°0.0°
C15C02N03H4179.2°179.9°
N03N04C05C153.2°0.5°
N03N04C05C06175.6°179.7°
C16C15C05N04180.0°179.9°
C16C15C05C068.7°0.1°
C05C15C16N17176.2°47.5°
C15C05N04C06172.4°179.8°
C15C05C06C074.3°35.0°
C15C05C06C14167.1°145.0°
N04C05C06C07174.7°145.2°
N04C05C06C143.3°34.8°
C05N04N03H4177.5°179.8°
C05C06C07C14170.9°180.0°
C05C06C07C08175.4°179.7°
C05C06C14C10175.8°180.0°
C05C06C07H54.6°0.1°
C05C06C14H94.2°0.1°
C06C07C08H5180.0°179.8°
C07C06C14C104.4°0.0°
C06C07C08C092.3°0.5°
C06C07C08H6177.6°180.0°
C07C06C14H9175.6°180.0°
C14C06C07C084.5°0.2°
C06C14C10H9180.0°179.9°
C06C14C10C092.3°0.0°
C06C14C10N11177.6°179.7°
C14C06C07H5175.5°180.0°
C07C08C09H6180.0°179.5°
C07C08C09C100.3°0.5°
C07C08C09C13179.6°179.5°
C14C10C09C080.3°0.2°
C14C10C09N11179.9°179.7°
C14C10C09C13179.7°179.7°
C14C10N11C12179.8°179.7°
C14C10N11H70.2°0.4°
C08C09C10C13179.9°180.0°
C08C09C10N11179.6°180.0°
C08C09C13C12179.6°180.0°
C08C09C13H10.3°0.0°
C09C08C07H5177.7°179.7°
C09C10N11C120.3°0.0°
C10C09C13C120.4°0.0°
C10C09C13H1179.6°180.0°
C10C09C08H6179.7°180.0°
C09C10N11H7179.7°180.0°
C09C10C14H9177.7°180.0°
N11C10C09C130.4°0.0°
C10N11C12H7180.0°179.9°
C10N11C12C130.0°0.0°
C10N11C12H8180.0°179.9°
N11C10C14H92.4°0.3°
C09C13C12N110.3°0.0°
C09C13C12H1180.0°180.0°
C13C09C08H60.4°0.0°
C09C13C12H8179.7°179.9°
N11C12C13H8180.0°179.9°
N11C12C13H1179.7°180.0°
C13C12N11H7180.0°180.0°
H1C13C12H80.3°0.1°
H5C07C08H62.3°0.2°
H7N11C12H80.0°0.1°

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PDB entries from 2024-07-17

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