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70V

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C2C7sing1.52Å1.51Å
C2C3sing1.52Å1.51Å
O9C7doub1.21Å1.22Å
C7C6sing1.51Å1.52Å
O8C3doub1.21Å1.22Å
C3C4sing1.51Å1.51Å
C6C5sing1.53Å1.53Å
C5C4sing1.53Å1.53Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C7110.8°109.9°
C1C2C3111.1°109.9°
C2C1H1109.5°109.5°
C2C1H2109.4°109.5°
C2C1H3109.4°109.5°
C1C2H4107.7°109.9°
C7C2C3111.1°107.4°
C2C7O9119.9°121.0°
C2C7C6120.8°118.1°
C7C2H4108.0°109.8°
C2C3O8119.9°121.0°
C2C3C4120.6°118.1°
C3C2H4108.0°109.9°
O9C7C6119.3°120.9°
C7C6C5112.1°109.0°
C7C6H9108.8°109.5°
C7C6H10108.8°109.6°
O8C3C4119.5°120.9°
C3C4C5110.4°109.0°
C3C4H5109.2°109.5°
C3C4H6109.2°109.5°
C6C5C4112.8°109.6°
C6C5H7108.6°109.5°
C6C5H8108.6°109.4°
C5C6H9108.8°109.6°
C5C6H10108.8°109.6°
C5C4H5109.3°109.6°
C5C4H6109.3°109.7°
C4C5H7108.6°109.5°
C4C5H8108.6°109.4°
H1C1H2109.5°109.5°
H1C1H3109.5°109.4°
H2C1H3109.5°109.5°
H5C4H6109.5°109.5°
H7C5H8109.5°109.5°
H9C6H10109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C7C3124.1°119.5°
C1C2C7H4117.7°121.0°
C1C2C3H4117.9°121.0°
C1C2C7O996.5°106.9°
C1C2C7C684.1°73.0°
C1C2C3O878.0°106.9°
C1C2C3C4102.3°73.0°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.0°
C2C1H2H3119.9°120.0°
C7C2C3H4118.2°119.4°
C2C7O9C6179.4°179.9°
C7C2C3O8158.1°133.6°
C7C2C3C421.6°46.5°
C2C7C6C58.8°54.8°
C7C2C1H1180.0°60.0°
C7C2C1H260.0°180.0°
C7C2C1H360.0°60.0°
C2C7C6H9129.2°65.1°
C2C7C6H10111.6°174.7°
C3C2C7O9139.5°133.6°
C3C2C7C640.0°46.5°
C2C3O8C4179.6°179.9°
C2C3C4C524.8°54.8°
C3C2C1H155.9°178.0°
C3C2C1H264.1°62.0°
C3C2C1H3176.0°58.0°
C2C3C4H5145.0°65.1°
C2C3C4H695.3°174.8°
O9C7C6C5170.6°125.3°
O9C7C2H421.2°14.1°
O9C7C6H950.2°114.8°
O9C7C6H1069.0°5.3°
C7C6C5H9120.4°119.9°
C7C6C5H10120.4°120.0°
C7C6C5C441.2°58.3°
C6C7C2H4158.2°166.0°
C7C6C5H7161.7°178.3°
C7C6C5H879.2°61.7°
C7C6H9H10118.8°120.2°
O8C3C4C5155.5°125.3°
O8C3C2H439.8°14.1°
O8C3C4H535.4°114.8°
O8C3C4H684.3°5.3°
C3C4C5C657.8°58.3°
C3C4C5H5120.1°119.9°
C3C4C5H6120.1°119.9°
C4C3C2H4139.8°165.9°
C3C4H5H6119.6°120.1°
C3C4C5H7178.3°178.3°
C3C4C5H862.7°61.7°
C6C5C4H7120.5°120.1°
C6C5C4H8120.5°120.0°
C6C5C4H5177.9°61.6°
C6C5C4H662.4°178.2°
C6C5H7H8118.5°119.9°
C5C6H9H10118.8°120.2°
C5C4H5H6119.6°120.3°
C4C5H7H8118.5°119.9°
C4C5C6H979.1°61.6°
C4C5C6H10161.7°178.2°
H1C1H2H3120.0°120.0°
H1C1C2H462.1°61.0°
H2C1C2H4177.9°59.1°
H3C1C2H457.9°179.1°
H5C4C5H761.6°58.5°
H5C4C5H857.4°178.4°
H6C4C5H758.1°61.7°
H6C4C5H8177.2°58.2°
H7C5C6H941.3°58.5°
H7C5C6H1077.9°61.7°
H8C5C6H9160.4°178.4°
H8C5C6H1041.2°58.3°

223166

PDB entries from 2024-07-31

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