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K42

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8N11sing1.47Å1.49Å
C8C7sing1.53Å1.52Å
C7O8sing1.43Å1.44Å
O8C4sing1.36Å1.37Å
C4C3doub1.39Å1.40ÅAromatic
C4C5sing1.39Å1.40ÅAromatic
C3C2sing1.38Å1.39ÅAromatic
C5C6doub1.38Å1.40ÅAromatic
C2C1doub1.39Å1.39ÅAromatic
C6C1sing1.39Å1.40ÅAromatic
C1O1sing1.36Å1.36Å
C8H1sing1.09Å1.10Å
C8H2sing1.09Å1.10Å
C5H3sing1.08Å1.08Å
C2H4sing1.08Å1.08Å
C6H5sing1.08Å1.08Å
O1H6sing0.97Å0.95Å
C3H7sing1.08Å1.08Å
C7H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
N11H10sing1.01Å1.00Å
N11H11sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N11C8C7111.1°109.5°
N11C8H1109.1°109.4°
N11C8H2109.1°109.5°
C8N11H10109.5°111.0°
C8N11H11109.5°111.0°
C8C7O8111.6°109.4°
C7C8H1109.1°109.4°
C7C8H2109.1°109.5°
C8C7H8108.9°109.5°
C8C7H9108.9°109.5°
C7O8C4119.7°117.0°
O8C7H8109.0°109.5°
O8C7H9108.9°109.4°
O8C4C3119.6°120.0°
O8C4C5120.6°120.0°
C3C4C5119.7°120.0°
C4C3C2120.1°120.0°
C4C3H7119.9°120.0°
C4C5C6120.1°120.1°
C4C5H3119.9°120.0°
C3C2C1120.1°120.0°
C3C2H4120.0°120.0°
C2C3H7119.9°120.0°
C5C6C1119.9°119.9°
C6C5H3120.0°120.0°
C5C6H5120.1°120.0°
C2C1C6120.1°120.0°
C2C1O1118.8°120.0°
C1C2H4119.9°120.0°
C6C1O1121.1°120.0°
C1C6H5120.0°120.0°
C1O1H6109.5°114.0°
H1C8H2109.5°109.5°
H8C7H9109.5°109.5°
H10N11H11109.4°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N11C8C7H1120.3°119.9°
N11C8C7H2120.3°120.0°
N11C8C7O833.3°65.0°
N11C8H1H2119.3°120.0°
N11C8C7H8153.7°175.0°
N11C8C7H987.0°54.9°
C8N11H10H11120.0°123.9°
C8C7O8H8120.3°120.0°
C8C7O8H9120.3°120.0°
C8C7O8C4154.1°180.0°
C7C8H1H2119.2°120.0°
C8C7H8H9119.0°120.1°
C7C8N11H10180.0°180.0°
C7C8N11H1160.0°56.1°
C7O8C4C340.1°180.0°
C7O8C4C5139.6°0.0°
O8C7C8H186.9°175.0°
O8C7C8H2153.6°55.0°
O8C7H8H9119.0°120.0°
O8C4C3C5179.7°179.9°
O8C4C3C2179.7°179.4°
O8C4C5C6179.8°180.0°
O8C4C5H30.3°0.3°
O8C4C3H70.3°0.1°
C4O8C7H833.8°60.0°
C4O8C7H985.6°60.0°
C4C3C2H7180.0°179.5°
C3C4C5C60.0°0.0°
C4C3C2C10.0°0.8°
C3C4C5H3180.0°179.8°
C4C3C2H4179.9°179.8°
C5C4C3C20.1°0.5°
C4C5C6H3180.0°179.7°
C4C5C6C10.1°0.3°
C4C5C6H5179.9°179.7°
C5C4C3H7179.9°180.0°
C3C2C1H4180.0°179.4°
C3C2C1C60.1°0.5°
C3C2C1O1179.9°180.0°
C5C6C1C20.2°0.0°
C5C6C1H5180.0°180.0°
C5C6C1O1179.8°179.5°
C2C1C6O1179.9°179.4°
C2C1C6H5179.8°180.0°
C2C1O1H6180.0°90.0°
C1C2C3H7180.0°179.7°
C1C6C5H3179.9°180.0°
C6C1C2H4179.9°180.0°
C6C1O1H60.0°90.6°
O1C1C2H40.1°0.6°
O1C1C6H50.2°0.6°
H1C8C7H833.4°55.0°
H1C8C7H9152.7°65.0°
H1C8N11H1059.7°60.1°
H1C8N11H1160.2°176.0°
H2C8C7H886.1°65.0°
H2C8C7H933.3°175.0°
H2C8N11H1059.8°60.0°
H2C8N11H11179.7°63.9°
H3C5C6H50.1°0.1°
H4C2C3H70.1°0.3°

225158

PDB entries from 2024-09-18

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