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S3C

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O8C6doub1.22Å1.24Å
S9C5sing1.76Å1.68Å
C6C5sing1.47Å1.51Å
C6O7sing1.35Å1.28Å
C5C4doub1.36Å1.52Å
CL2C10sing1.74Å1.74Å
C4C3sing1.47Å1.51Å
C10C3doub1.40Å1.39ÅAromatic
C10C12sing1.38Å1.38ÅAromatic
CL3C12sing1.74Å1.74Å
C3C2sing1.40Å1.38ÅAromatic
C12C14doub1.38Å1.38ÅAromatic
C2CL1sing1.74Å1.73Å
C2C15doub1.38Å1.38ÅAromatic
C14C15sing1.38Å1.36ÅAromatic
C15H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
O7H4sing0.97Å0.95Å
C14H5sing1.08Å1.08Å
S9H3sing1.35Å1.30Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O8C6C5116.9°120.0°
O8C6O7121.0°120.0°
S9C5C6122.8°120.0°
S9C5C4122.2°120.0°
C5S9H3102.0°103.0°
C5C6O7122.1°120.0°
C6C5C4114.9°120.0°
C6O7H4109.5°117.0°
C5C4C3117.8°120.0°
C5C4H2121.1°120.0°
CL2C10C3121.2°120.1°
CL2C10C12119.9°120.1°
C4C3C10118.9°120.2°
C4C3C2121.5°120.1°
C3C4H2121.1°120.0°
C3C10C12118.9°119.8°
C10C3C2119.6°119.7°
C10C12CL3119.3°119.9°
C10C12C14120.7°120.2°
CL3C12C14120.0°119.9°
C3C2CL1118.7°120.1°
C3C2C15120.9°119.8°
C12C14C15120.8°120.4°
C12C14H5119.6°119.8°
CL1C2C15120.3°120.1°
C2C15C14119.0°120.2°
C2C15H1120.5°119.9°
C14C15H1120.5°119.9°
C15C14H5119.6°119.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O8C6C5S92.5°180.0°
O8C6C5O7179.1°179.9°
O8C6C5C4173.1°0.0°
O8C6O7H40.0°0.0°
S9C5C6C4175.5°180.0°
S9C5C6O7176.6°0.0°
S9C5C4C39.4°6.3°
S9C5C4H2170.6°173.8°
C6C5C4C3175.1°173.7°
C6C5C4H25.0°6.2°
C5C6O7H4179.0°180.0°
C6C5S9H31.2°0.0°
O7C6C5C47.9°180.0°
C5C4C3H2180.0°179.9°
C5C4C3C1074.1°60.2°
C5C4C3C2107.9°119.7°
C4C5S9H3174.1°180.0°
CL2C10C3C41.1°0.3°
CL2C10C3C12179.9°179.7°
CL2C10C12CL31.8°0.3°
CL2C10C3C2176.9°179.7°
CL2C10C12C14177.7°179.7°
C4C3C10C2178.1°180.0°
C4C3C10C12178.8°180.0°
C4C3C2CL10.8°0.1°
C4C3C2C15179.2°180.0°
C3C10C12CL3178.1°180.0°
C3C10C12C142.4°0.1°
C10C3C2CL1177.2°180.0°
C10C3C2C152.8°0.0°
C10C3C4H2105.9°119.7°
C10C12CL3C14179.6°180.0°
C12C10C3C23.2°0.1°
C10C12C14C151.1°0.0°
C10C12C14H5178.9°180.0°
CL3C12C14C15179.4°180.0°
CL3C12C14H50.6°0.0°
C3C2CL1C15180.0°180.0°
C3C2C15C141.5°0.0°
C3C2C15H1178.5°180.0°
C2C3C4H272.2°60.4°
C12C14C15C20.6°0.0°
C12C14C15H5180.0°180.0°
C12C14C15H1179.4°180.0°
CL1C2C15C14178.5°179.9°
CL1C2C15H11.5°0.0°
C2C15C14H1180.0°179.9°
C2C15C14H5179.4°180.0°
H1C15C14H50.6°0.0°

239492

PDB entries from 2025-07-30

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