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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2O2sing1.43Å1.44Å
C2C1sing1.53Å1.49Å
C2H21sing1.09Å1.12Å
C2H22sing1.09Å1.11Å
O2C3sing1.43Å1.43Å
C3C4sing1.53Å1.51Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.12Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.11Å
C4H43sing1.09Å1.11Å
O1C1sing1.43Å1.42Å
O1HO1sing0.97Å0.95Å
C1H11sing1.09Å1.11Å
C1H12sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C2C1109.1°109.5°
O2C2H21112.4°109.4°
O2C2H22112.4°109.5°
C2O2C3114.3°106.9°
C1C2H21112.4°109.4°
C1C2H22112.4°109.5°
C2C1O1111.5°109.5°
C2C1H11111.4°109.5°
C2C1H12111.4°109.5°
H21C2H2298.0°109.5°
O2C3C4109.8°109.5°
O2C3H31112.1°109.4°
O2C3H32112.1°109.4°
C4C3H31112.1°109.5°
C4C3H32112.1°109.5°
C3C4H41109.8°109.5°
C3C4H42112.1°109.5°
C3C4H43112.1°109.4°
H31C3H3298.3°109.5°
H41C4H42112.0°109.5°
H41C4H43112.1°109.4°
H42C4H4398.4°109.5°
C1O1HO1111.5°106.8°
O1C1H11111.5°109.5°
O1C1H12111.4°109.4°
H11C1H1299.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C2C1H21125.3°119.9°
O2C2C1H22125.3°120.1°
O2C2H21H22118.3°120.0°
C2O2C3C4105.9°180.0°
C2O2C3H3119.3°60.1°
C2O2C3H32128.8°59.9°
O2C2C1O1164.4°59.9°
O2C2C1H1170.3°180.0°
O2C2C1H1239.2°60.0°
C1C2H21H22118.3°120.0°
C1C2O2C3177.8°180.0°
C2C1O1H11125.2°120.1°
C2C1O1H12125.2°120.0°
C2C1O1HO1180.0°180.0°
C2C1H11H12117.3°120.0°
H21C2O2C356.9°60.1°
H21C2C1O139.1°60.0°
H21C2C1H11164.4°60.0°
H21C2C1H1286.1°180.0°
H22C2O2C352.5°59.9°
H22C2C1O170.3°180.0°
H22C2C1H1154.9°59.9°
H22C2C1H12164.4°60.1°
O2C3C4H31125.3°119.9°
O2C3C4H32125.3°120.0°
O2C3H31H32118.0°119.9°
O2C3C4H41180.0°180.0°
O2C3C4H4254.8°59.9°
O2C3C4H4354.8°60.0°
C4C3H31H32118.0°120.0°
C3C4H41H42125.2°120.1°
C3C4H41H43125.3°119.9°
C3C4H42H43118.0°119.9°
H31C3C4H4154.7°60.1°
H31C3C4H42179.9°60.0°
H31C3C4H4370.5°180.0°
H32C3C4H4154.7°59.9°
H32C3C4H4270.5°180.0°
H32C3C4H43180.0°60.0°
H41C4H42H43118.0°120.0°
O1C1H11H12117.4°119.9°
HO1O1C1H1154.8°59.9°
HO1O1C1H1254.8°60.0°

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PDB entries from 2024-10-09

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