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TR9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.56Å
C1C6sing1.52Å1.56Å
C1H1sing1.09Å1.10Å
C2C3sing1.50Å1.53Å
C2O2sing1.43Å1.40Å
C2H2sing1.09Å1.10Å
C3C4sing1.41Å1.50Å
C3O3doub1.21Å1.36Å
C4C5doub1.36Å1.52Å
C4C7sing1.51Å1.38Å
C5C6sing1.48Å1.41Å
C5O1sing1.35Å1.40Å
C6O4doub1.21Å1.37Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
O1H5sing0.97Å0.95Å
O2H6sing0.97Å0.95Å
C1H8sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6109.1°108.0°
C2C1H1109.6°109.7°
C1C2C3110.1°109.9°
C1C2O2110.2°109.4°
C1C2H2108.9°109.4°
C2C1H8109.6°109.8°
C6C1H1109.6°109.7°
C1C6C5120.3°117.2°
C1C6O4118.7°121.4°
C6C1H8109.6°109.8°
H1C1H8109.3°109.8°
C3C2O2110.7°109.4°
C3C2H2108.5°109.3°
C2C3C4118.3°122.1°
C2C3O3120.4°118.9°
O2C2H2108.3°109.4°
C2O2H6109.5°114.0°
C4C3O3121.3°118.9°
C3C4C5117.5°121.2°
C3C4C7120.1°119.4°
C5C4C7122.3°119.4°
C4C5C6119.0°118.5°
C4C5O1117.8°120.8°
C4C7H3109.5°109.4°
C4C7H4109.5°109.5°
C4C7H7109.4°109.5°
C6C5O1123.2°120.8°
C5C6O4121.0°121.4°
C5O1H5109.5°114.0°
H3C7H4109.4°109.4°
H3C7H7109.5°109.5°
H4C7H7109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1120.0°119.6°
C2C1C6H8120.0°119.7°
C2C1H1H8120.2°120.7°
C1C2C3O2122.1°120.1°
C1C2C3H2119.1°120.1°
C1C2O2H2119.1°119.8°
C1C2C3C439.4°31.9°
C1C2C3O3140.3°148.1°
C2C1C6C538.8°50.2°
C2C1C6O4141.6°129.8°
C1C2O2H6130.4°180.0°
C6C1H1H8120.1°120.8°
C6C1C2C356.5°51.3°
C6C1C2O2178.8°171.4°
C6C1C2H262.4°68.8°
C1C6C5C40.2°24.1°
C1C6C5O4179.6°180.0°
C1C6C5O1179.9°156.0°
H1C1C2C3176.5°170.8°
H1C1C2O261.2°69.0°
H1C1C2H257.6°50.8°
H1C1C6C5158.8°169.8°
H1C1C6O421.5°10.3°
C3C2O2H2118.9°119.7°
C2C3C4O3179.7°179.9°
C2C3C4C50.6°4.3°
C2C3C4C7180.0°175.7°
C3C2O2H68.4°59.6°
C3C2C1H863.5°68.4°
O2C2C3C4161.5°152.0°
O2C2C3O318.2°27.9°
O2C2C1H858.9°51.7°
H2C2C3C479.7°88.2°
H2C2C3O3100.5°91.8°
H2C2O2H6110.4°60.2°
H2C2C1H8177.6°171.5°
C3C4C5C7179.4°180.0°
C3C4C5C620.6°0.7°
C3C4C5O1159.6°179.3°
C3C4C7H3180.0°90.1°
C3C4C7H460.0°150.0°
C3C4C7H760.0°30.0°
O3C3C4C5179.1°175.6°
O3C3C4C70.3°4.4°
C4C5C6O1179.8°180.0°
C4C5C6O4179.5°155.9°
C5C4C7H30.6°90.0°
C5C4C7H4119.4°29.9°
C5C4C7H7120.6°150.0°
C4C5O1H5179.6°180.0°
C7C4C5C6158.8°179.3°
C7C4C5O121.0°0.8°
C4C7H3H4120.0°119.9°
C4C7H3H7120.0°120.0°
C4C7H4H7120.0°120.1°
C6C5O1H50.1°0.0°
C5C6C1H881.2°69.5°
O1C5C6O40.3°24.0°
O4C6C1H898.4°110.5°
H3C7H4H7120.0°120.0°

226262

PDB entries from 2024-10-16

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