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HA8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C13doub1.31Å1.39Å
C14H14sing1.08Å1.08Å
C14H14Asing1.08Å1.08Å
C13C12sing1.51Å1.39Å
C13H13sing1.08Å1.08Å
C12C11sing1.51Å1.39Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C11N10doub1.29Å1.32Å
C11H11sing1.08Å1.08Å
N1C2doub1.32Å1.32ÅAromatic
N1C6sing1.33Å1.34ÅAromatic
C2N3sing1.32Å1.32ÅAromatic
C2H2sing1.08Å1.08Å
N3C4doub1.33Å1.34ÅAromatic
C4C5sing1.41Å1.39ÅAromatic
C4N9sing1.35Å1.33ÅAromatic
C5C6doub1.40Å1.39ÅAromatic
C5N7sing1.38Å1.33ÅAromatic
C6N10sing1.37Å1.33Å
N7C8sing1.35Å1.33ÅAromatic
N7HN7sing0.97Å1.00Å
C8N9doub1.30Å1.33ÅAromatic
C8H8sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13C14H14108.2°120.0°
C13C14H14A125.9°120.0°
C14C13C12115.0°120.0°
C14C13H13122.5°120.0°
H14C14H14A125.8°120.0°
C12C13H13122.5°120.0°
C13C12C11124.8°109.5°
C13C12H12104.6°109.5°
C13C12H12A101.0°109.5°
C11C12H12104.7°109.5°
C11C12H12A101.1°109.4°
C12C11N10119.2°120.0°
C12C11H11120.4°120.0°
H12C12H12A122.5°109.5°
N10C11H11120.4°120.0°
C11N10C6121.4°120.0°
C2N1C6121.1°121.0°
N1C2N3121.7°122.6°
N1C2H2119.2°118.7°
N1C6C5118.9°118.5°
N1C6N10121.0°120.8°
N3C2H2119.1°118.7°
C2N3C4120.5°120.7°
N3C4C5119.4°118.6°
N3C4N9133.7°134.6°
C5C4N9106.9°106.8°
C4C5C6118.4°118.5°
C4C5N7107.5°106.1°
C4N9C8108.2°109.8°
C6C5N7134.0°135.4°
C5C6N10119.9°120.8°
C5N7C8107.8°107.3°
C5N7HN7126.1°126.4°
C8N7HN7126.1°126.4°
N7C8N9109.6°110.1°
N7C8H8125.2°124.9°
N9C8H8125.2°124.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13C14H14H14A180.0°179.7°
C14C13C12H13180.0°179.9°
C14C13C12C1182.9°125.0°
C14C13C12H12157.1°115.0°
C14C13C12H12A29.0°5.0°
H14C14C13C120.0°180.0°
H14C14C13H13180.0°0.0°
H14AC14C13C12180.0°0.3°
H14AC14C13H130.0°179.7°
C13C12C11H12120.0°120.0°
C13C12C11H12A111.9°120.0°
C13C12H12H12A113.6°120.0°
C13C12C11N10150.5°124.9°
C13C12C11H1129.5°55.0°
H13C13C12C1197.1°55.0°
H13C13C12H1222.9°65.1°
H13C13C12H12A151.0°174.9°
C11C12H12H12A113.7°120.0°
C12C11N10H11180.0°179.9°
C12C11N10C6176.3°180.0°
H12C12C11N1030.5°4.9°
H12C12C11H11149.5°175.0°
H12AC12C11N1097.5°115.0°
H12AC12C11H1182.4°65.0°
C11N10C6N13.9°0.1°
C11N10C6C5171.5°180.0°
H11C11N10C63.7°0.1°
N1C2N3H2180.0°180.0°
N1C2N3C40.2°0.0°
C2N1C6C50.4°0.0°
C2N1C6N10175.1°180.0°
C6N1C2N30.0°0.0°
C6N1C2H2179.9°180.0°
N1C6C5C40.6°0.0°
N1C6C5N10175.5°179.9°
N1C6C5N7179.9°180.0°
C2N3C4C50.0°0.0°
C2N3C4N9179.8°179.9°
H2C2N3C4179.9°180.0°
N3C4C5N9179.8°180.0°
N3C4C5C60.4°0.0°
N3C4C5N7180.0°180.0°
N3C4N9C8179.9°180.0°
C4C5C6N7179.5°180.0°
C4C5C6N10175.0°179.9°
C4C5N7C80.2°0.0°
C4C5N7HN7179.8°180.0°
C5C4N9C80.1°0.1°
N9C4C5C6179.5°180.0°
N9C4C5N70.2°0.0°
C4N9C8N70.0°0.1°
C4N9C8H8180.0°180.0°
C6C5N7C8179.4°180.0°
C6C5N7HN70.6°0.0°
N7C5C6N104.5°0.1°
C5N7C8HN7180.0°180.0°
C5N7C8N90.1°0.1°
C5N7C8H8179.8°180.0°
N7C8N9H8180.0°179.9°
HN7N7C8N9179.9°180.0°
HN7N7C8H80.1°0.1°

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PDB entries from 2024-07-10

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