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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C3Osing1.43Å1.40Å
C5O1sing1.43Å1.39Å
C5C4sing1.51Å1.50Å
OC2sing1.36Å1.37Å
C4C2doub1.39Å1.39ÅAromatic
C4C6sing1.38Å1.39ÅAromatic
C2C1sing1.39Å1.41ÅAromatic
C6C7doub1.38Å1.40ÅAromatic
C1Cdoub1.38Å1.37ÅAromatic
C7Csing1.38Å1.39ÅAromatic
CBRsing1.89Å1.94Å
C5H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C6H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C1H5sing1.08Å1.08Å
C3H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C3H8sing1.09Å1.10Å
O1H9sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3OC2114.1°117.0°
OC3H6109.5°109.5°
OC3H7109.4°109.5°
OC3H8109.5°109.5°
O1C5C4113.1°109.5°
O1C5H1108.5°109.4°
O1C5H2108.5°109.5°
C5O1H9109.5°114.1°
C5C4C2122.1°120.0°
C5C4C6118.7°120.0°
C4C5H1108.5°109.5°
C4C5H2108.6°109.5°
OC2C4118.4°120.0°
OC2C1119.6°120.1°
C2C4C6119.2°120.0°
C4C2C1122.0°119.9°
C4C6C7120.1°120.1°
C4C6H3119.9°120.0°
C2C1C116.3°119.9°
C2C1H5121.8°120.0°
C6C7C118.4°120.1°
C7C6H3120.0°120.0°
C6C7H4120.8°119.9°
C1CC7123.8°120.1°
C1CBR117.7°120.0°
CC1H5121.8°120.1°
C7CBR118.2°120.0°
CC7H4120.8°120.0°
H1C5H2109.5°109.5°
H6C3H7109.5°109.5°
H6C3H8109.5°109.5°
H7C3H8109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3OC2C4126.9°180.0°
C3OC2C152.8°0.0°
OC3H6H7120.0°120.0°
OC3H6H8120.0°120.0°
OC3H7H8120.0°120.0°
O1C5C4H1120.5°120.0°
O1C5C4H2120.5°120.0°
O1C5C4C277.4°180.0°
O1C5C4C6103.0°0.3°
O1C5H1H2118.3°120.0°
C5C4C2O1.9°0.3°
C5C4C2C6179.6°179.7°
C5C4C2C1178.4°179.8°
C5C4C6C7180.0°179.7°
C4C5H1H2118.3°120.0°
C5C4C6H30.0°0.3°
C4C5O1H9180.0°180.0°
OC2C4C1179.7°180.0°
OC2C4C6177.6°180.0°
OC2C1C178.9°180.0°
OC2C1H51.1°0.1°
C2OC3H6180.0°60.0°
C2OC3H760.0°60.0°
C2OC3H860.0°180.0°
C2C4C6C70.4°0.0°
C4C2C1C0.8°0.1°
C2C4C5H143.1°60.0°
C2C4C5H2162.1°60.0°
C2C4C6H3179.6°180.0°
C4C2C1H5179.2°180.0°
C6C4C2C12.1°0.0°
C4C6C7H3180.0°180.0°
C4C6C7C2.4°0.0°
C6C4C5H1136.4°120.2°
C6C4C5H217.5°119.7°
C4C6C7H4177.6°179.9°
C2C1CH5180.0°179.9°
C2C1CC72.2°0.1°
C2C1CBR171.2°180.0°
C6C7CC13.9°0.0°
C6C7CH4180.0°179.9°
C6C7CBR169.6°180.0°
C1CC7BR173.5°179.9°
C1CC7H4176.1°179.9°
CC7C6H3177.6°180.0°
C7CC1H5177.7°180.0°
BRCC7H410.4°0.0°
BRCC1H58.8°0.1°
H1C5O1H959.5°60.0°
H2C5O1H959.5°60.0°
H3C6C7H42.4°0.0°
H6C3H7H8120.0°120.0°

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PDB entries from 2024-07-17

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