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9EX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C3sing1.43Å1.40Å
S1C1sing1.81Å1.84Å
C1C2sing1.53Å1.52Å
C3C2sing1.53Å1.54Å
C2C4sing1.53Å1.54Å
C2H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
O1H5sing0.97Å0.95Å
C3H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
S1H10sing1.34Å1.30Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C3C2108.5°109.5°
C3O1H5109.5°114.0°
O1C3H6109.7°109.5°
O1C3H7109.7°109.5°
S1C1C2110.7°109.5°
S1C1H8109.2°109.4°
S1C1H9109.1°109.5°
C1S1H10102.0°103.0°
C1C2C3110.0°109.5°
C1C2C4112.2°109.5°
C1C2H1108.6°109.4°
C2C1H8109.2°109.5°
C2C1H9109.2°109.5°
C3C2C4109.2°109.5°
C3C2H1108.3°109.5°
C2C3H6109.7°109.5°
C2C3H7109.7°109.5°
C4C2H1108.4°109.5°
C2C4H2109.5°109.5°
C2C4H3109.5°109.5°
C2C4H4109.5°109.5°
H2C4H3109.5°109.5°
H2C4H4109.4°109.4°
H3C4H4109.5°109.5°
H6C3H7109.5°109.5°
H8C1H9109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C3C2C169.8°175.0°
O1C3C2H6119.8°120.0°
O1C3C2H7119.9°120.0°
O1C3C2C4166.6°65.0°
O1C3C2H148.8°55.1°
O1C3H6H7120.5°120.0°
S1C1C2H8120.2°120.0°
S1C1C2H9120.2°120.0°
S1C1C2C3173.8°175.0°
S1C1C2C464.5°65.0°
S1C1C2H155.4°55.0°
S1C1H8H9119.4°120.0°
C1C2C3C4123.5°120.0°
C1C2C3H1118.6°120.0°
C1C2C4H1120.0°120.0°
C1C2C4H2180.0°60.0°
C1C2C4H360.0°180.0°
C1C2C4H460.0°60.0°
C1C2C3H650.0°65.0°
C1C2C3H7170.3°55.0°
C2C1H8H9119.4°120.0°
C2C1S1H10180.0°180.0°
C3C2C4H1117.8°120.0°
C3C2C4H257.7°60.0°
C3C2C4H3177.7°60.0°
C3C2C4H462.2°180.0°
C2C3O1H5180.0°180.0°
C2C3H6H7120.5°120.1°
C3C2C1H866.0°55.0°
C3C2C1H953.6°65.0°
C2C4H2H3120.0°120.0°
C2C4H2H4120.0°120.0°
C2C4H3H4120.0°120.1°
C4C2C3H673.5°55.0°
C4C2C3H746.8°175.0°
C4C2C1H855.7°175.1°
C4C2C1H9175.3°55.0°
H1C2C4H260.0°179.9°
H1C2C4H360.0°60.1°
H1C2C4H4180.0°60.0°
H1C2C3H6168.6°175.0°
H1C2C3H771.1°65.0°
H1C2C1H8175.6°65.0°
H1C2C1H964.8°175.0°
H2C4H3H4120.0°119.9°
H5O1C3H660.2°60.0°
H5O1C3H760.1°60.0°
H8C1S1H1059.8°60.0°
H9C1S1H1059.8°60.0°

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PDB entries from 2024-03-27

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