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OTT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.41Å1.47Å
C1O11doub1.22Å1.26Å
C1O12sing1.35Å1.39Å
C2C3doub1.36Å1.39Å
C3C4sing1.41Å1.46Å
C4C5doub1.36Å1.34Å
C5C6sing1.46Å1.47Å
C6C7doub1.34Å1.36Å
C7C8sing1.51Å1.46Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C8H8Bsing1.09Å1.10Å
O12HO12sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O11122.2°120.0°
C2C1O12117.2°120.0°
C1C2C3121.2°120.0°
C1C2H2119.4°120.0°
O11C1O12120.6°120.0°
C1O12HO12109.5°114.0°
C2C3C4120.6°120.0°
C3C2H2119.4°120.0°
C2C3H3119.7°120.1°
C3C4C5123.3°120.0°
C4C3H3119.7°120.0°
C3C4H4118.4°120.0°
C4C5C6127.8°120.0°
C5C4H4118.3°120.0°
C4C5H5116.1°120.0°
C5C6C7119.6°120.0°
C6C5H5116.1°120.0°
C5C6H6120.2°120.0°
C6C7C8125.9°120.0°
C7C6H6120.2°120.0°
C6C7H7117.1°120.1°
C8C7H7117.0°120.0°
C7C8H8109.5°109.5°
C7C8H8A109.5°109.5°
C7C8H8B109.5°109.5°
H8C8H8A109.5°109.5°
H8C8H8B109.5°109.4°
H8AC8H8B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O11O12179.7°179.6°
C1C2C3H2180.0°180.0°
C1C2C3C4179.8°180.0°
C1C2C3H30.2°0.1°
C2C1O12HO12179.7°180.0°
O11C1C2C34.1°0.1°
O11C1C2H2175.9°180.0°
O11C1O12HO120.0°0.3°
O12C1C2C3175.6°179.7°
O12C1C2H24.4°0.3°
C2C3C4H3180.0°179.9°
C2C3C4C5180.0°180.0°
C2C3C4H40.0°0.0°
C3C4C5H4180.0°180.0°
C3C4C5C6179.9°180.0°
C4C3C2H20.2°0.0°
C3C4C5H50.1°0.0°
C4C5C6H5180.0°180.0°
C4C5C6C7179.9°180.0°
C5C4C3H30.1°0.1°
C4C5C6H60.1°0.0°
C5C6C7H6180.0°180.0°
C5C6C7C8179.9°180.0°
C6C5C4H40.1°0.0°
C5C6C7H70.1°0.0°
C6C7C8H7180.0°180.0°
C7C6C5H50.1°0.0°
C6C7C8H8180.0°60.1°
C6C7C8H8A60.0°60.0°
C6C7C8H8B60.0°180.0°
C8C7C6H60.1°0.0°
C7C8H8H8A120.0°120.1°
C7C8H8H8B120.0°120.0°
C7C8H8AH8B120.0°120.0°
H2C2C3H3179.8°179.9°
H3C3C4H4180.0°179.9°
H4C4C5H5179.9°180.0°
H5C5C6H6179.9°NaN°
H6C6C7H7179.9°180.0°
H7C7C8H80.0°119.9°
H7C7C8H8A120.0°120.0°
H7C7C8H8B120.0°0.0°
H8C8H8AH8B120.0°119.9°

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PDB entries from 2024-06-12

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