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K1G

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.53Å1.52Å
C1Csing1.53Å1.56Å
C1Nsing1.47Å1.55Å
N1C5doub1.32Å1.38ÅAromatic
N1C4sing1.33Å1.40ÅAromatic
C5N2sing1.32Å1.35ÅAromatic
N2C6doub1.33Å1.39ÅAromatic
NC4sing1.38Å1.48Å
NC3sing1.47Å1.47Å
C4C9doub1.41Å1.44ÅAromatic
C6C9sing1.41Å1.44ÅAromatic
C6N3sing1.36Å1.37ÅAromatic
C9C8sing1.41Å1.46ÅAromatic
N3C7sing1.47Å1.47Å
N3N4sing1.40Å1.36ÅAromatic
C8N4doub1.30Å1.34ÅAromatic
C5H1sing1.08Å1.08Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C8H5sing1.08Å1.08Å
CH6sing1.09Å1.10Å
CH7sing1.09Å1.10Å
CH8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
C2H11sing1.09Å1.10Å
C2H12sing1.09Å1.10Å
C3H13sing1.09Å1.10Å
C3H14sing1.09Å1.10Å
C3H15sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C109.4°109.5°
C2C1N111.5°109.5°
C2C1H9107.6°109.5°
C1C2H10109.5°109.5°
C1C2H11109.5°109.5°
C1C2H12109.4°109.5°
CC1N113.4°109.5°
C1CH6109.5°109.4°
C1CH7109.5°109.5°
C1CH8109.5°109.4°
CC1H9107.2°109.5°
C1NC4119.5°111.0°
C1NC3119.7°111.0°
NC1H9107.3°109.5°
C5N1C4119.3°121.2°
N1C5N2128.0°122.6°
N1C5H1116.0°118.7°
N1C4N118.8°120.8°
N1C4C9118.1°118.4°
C5N2C6112.0°120.7°
N2C5H1116.0°118.7°
N2C6C9127.0°118.9°
N2C6N3126.8°134.6°
C4NC3120.1°111.0°
NC4C9123.0°120.8°
NC3H13109.5°109.4°
NC3H14109.4°109.5°
NC3H15109.5°109.4°
C4C9C6115.5°118.3°
C4C9C8140.5°134.7°
C9C6N3106.2°106.6°
C6C9C8104.0°107.1°
C6N3C7124.9°125.9°
C6N3N4112.2°108.2°
C9C8N4110.2°108.5°
C9C8H5124.9°125.8°
C7N3N4122.9°125.9°
N3C7H2109.5°109.4°
N3C7H3109.4°109.5°
N3C7H4109.5°109.5°
N3N4C8107.5°109.7°
N4C8H5124.9°125.7°
H2C7H3109.5°109.5°
H2C7H4109.5°109.5°
H3C7H4109.5°109.5°
H6CH7109.5°109.5°
H6CH8109.4°109.5°
H7CH8109.5°109.5°
H10C2H11109.5°109.5°
H10C2H12109.5°109.4°
H11C2H12109.5°109.4°
H13C3H14109.4°109.5°
H13C3H15109.5°109.4°
H14C3H15109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1CN125.2°120.0°
C2C1CH9116.4°120.0°
C2C1NH9117.7°120.0°
C2C1NC4100.6°170.0°
C2C1NC388.6°66.1°
C2C1CH6180.0°60.0°
C2C1CH760.0°60.0°
C2C1CH860.0°180.0°
C1C2H10H11120.0°120.1°
C1C2H10H12120.0°119.9°
C1C2H11H12119.9°120.0°
CC1NH9118.3°120.0°
CC1NC4135.3°70.0°
CC1NC335.5°54.0°
C1CH6H7120.0°120.0°
C1CH6H8120.0°119.9°
C1CH7H8120.0°120.0°
CC1C2H10180.0°59.9°
CC1C2H1160.0°180.0°
CC1C2H1260.0°60.0°
C1NC4N14.4°0.0°
C1NC4C3170.7°123.9°
C1NC4C9177.4°180.0°
NC1CH654.8°60.0°
NC1CH765.2°180.0°
NC1CH8174.8°60.0°
NC1C2H1053.7°60.1°
NC1C2H11173.7°60.0°
NC1C2H1266.3°180.0°
C1NC3H13180.0°176.1°
C1NC3H1460.0°56.0°
C1NC3H1560.0°64.0°
N1C5N2H1180.0°180.0°
N1C5N2C60.0°0.0°
C5N1C4N177.9°179.9°
C5N1C4C90.4°0.0°
C4N1C5N20.0°0.0°
N1C4NC9178.2°180.0°
N1C4NC3175.1°124.0°
N1C4C9C60.7°0.0°
N1C4C9C8178.9°180.0°
C4N1C5H1180.0°180.0°
C5N2C6C90.4°0.1°
C5N2C6N3178.6°180.0°
N2C6C9C40.8°0.1°
N2C6C9N3179.2°179.9°
N2C6C9C8179.6°180.0°
N2C6N3C70.8°0.1°
N2C6N3N4179.7°180.0°
C6N2C5H1180.0°180.0°
NC4C9C6177.5°180.0°
NC4C9C80.6°0.0°
C4NC1H917.0°50.0°
C4NC3H139.3°60.0°
C4NC3H14129.3°180.0°
C4NC3H15110.7°60.0°
C3NC4C96.7°56.0°
C3NC1H9153.7°174.0°
NC3H13H14120.0°120.0°
NC3H13H15120.0°119.9°
NC3H14H15120.0°120.0°
C4C9C6C8178.8°180.0°
C4C9C6N3178.4°180.0°
C4C9C8N4178.2°179.9°
C4C9C8H51.8°0.0°
C9C6N3C7178.4°180.0°
C9C6N3N40.5°0.0°
C6C9C8N40.1°0.0°
C6C9C8H5179.9°180.0°
N3C6C9C80.4°0.0°
C6N3C7N4178.8°179.9°
C6N3N4C80.5°0.1°
C6N3C7H2178.8°90.0°
C6N3C7H361.2°30.0°
C6N3C7H458.8°150.0°
C9C8N4N30.2°0.0°
C9C8N4H5180.0°180.0°
C7N3N4C8178.4°180.0°
N3C7H2H3120.0°120.0°
N3C7H2H4120.0°120.0°
N3C7H3H4120.0°120.0°
N4N3C7H20.0°90.1°
N4N3C7H3120.0°150.0°
N4N3C7H4120.0°29.9°
N3N4C8H5179.8°180.0°
H2C7H3H4120.0°120.0°
H6CH7H8119.9°120.1°
H6CC1H963.5°180.0°
H7CC1H9176.5°60.0°
H8CC1H956.5°60.0°
H9C1C2H1063.8°179.9°
H9C1C2H1156.2°60.0°
H9C1C2H12176.2°60.0°
H10C2H11H12120.0°119.9°
H13C3H14H15120.0°120.0°

217705

PDB entries from 2024-03-27

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