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STH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8O8sing1.43Å1.37Å
C8C1sing1.51Å1.49Å
C8S7sing1.82Å1.42Å
C8H8sing1.09Å1.12Å
O8HO8sing0.97Å0.95Å
C1C2doub1.38Å1.48ÅAromatic
C1C6sing1.39Å1.45ÅAromatic
C2C3sing1.41Å1.43ÅAromatic
C2O2sing1.35Å1.42Å
C3C4doub1.37Å1.43ÅAromatic
C3H3sing1.08Å1.10Å
C4C5sing1.38Å1.43ÅAromatic
C4H4sing1.08Å1.10Å
C5C6doub1.38Å1.41ÅAromatic
C5H5sing1.08Å1.10Å
C6H6sing1.08Å1.10Å
C7O2sing1.41Å1.42Å
C7N7sing1.47Å1.38Å
C7S7sing1.82Å1.62Å
C7H7sing1.09Å1.11Å
N7HN71sing1.01Å1.02Å
N7HN72sing1.01Å1.02Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O8C8C1121.7°109.5°
O8C8S7118.7°109.5°
O8C8H878.3°109.5°
C8O8HO8121.7°106.8°
C1C8S7119.6°109.3°
C1C8H845.8°109.5°
C8C1C2119.5°124.5°
C8C1C6122.3°115.5°
S7C8H8158.3°109.5°
C8S7C7116.8°97.6°
C2C1C6118.2°120.0°
C1C2C3119.5°118.4°
C1C2O2122.0°127.7°
C1C6C5121.2°121.1°
C1C6H6120.8°119.5°
C3C2O2118.6°113.9°
C2C3C4120.5°121.4°
C2C3H3119.8°119.3°
C2O2C7119.0°113.6°
C4C3H3119.7°119.4°
C3C4C5120.6°119.8°
C3C4H4119.5°120.1°
C5C4H4119.9°120.1°
C4C5C6120.1°119.3°
C4C5H5120.6°120.3°
C6C5H5119.3°120.3°
C5C6H6118.1°119.5°
O2C7N7108.1°109.7°
O2C7S7116.9°108.2°
O2C7H7105.5°109.7°
N7C7S7110.0°109.7°
N7C7H7113.0°109.7°
C7N7HN71112.7°106.7°
C7N7HN72108.1°106.7°
S7C7H7103.4°109.8°
HN71N7HN72112.7°106.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O8C8C1S7179.5°120.0°
O8C8C1H820.8°120.1°
O8C8S7H8138.2°120.1°
O8C8C1C2179.4°103.6°
O8C8C1C60.5°75.0°
O8C8S7C7167.3°78.2°
C1C8S7H842.2°119.9°
C1C8O8HO8180.0°180.0°
C8C1C2C6179.0°178.6°
C8C1C2C3180.0°177.2°
C8C1C2O20.6°3.2°
C8C1C6C5179.9°177.6°
C8C1C6H60.1°2.4°
C1C8S7C712.3°41.8°
S7C8O8HO80.4°60.2°
S7C8C1C21.0°16.3°
S7C8C1C6179.9°165.0°
C8S7C7O227.5°66.6°
C8S7C7N7151.1°173.7°
C8S7C7H787.9°53.1°
H8C8O8HO8165.0°59.9°
H8C8C1C2158.6°136.3°
H8C8C1C620.3°45.0°
H8C8S7C754.5°161.8°
C1C2C3O2179.4°179.7°
C1C2C3C40.8°0.9°
C1C2C3H3179.2°179.1°
C2C1C6C51.0°1.1°
C2C1C6H6179.0°178.9°
C1C2O2C715.4°28.0°
C6C1C2C31.1°1.5°
C6C1C2O2179.5°178.2°
C1C6C5C40.7°0.1°
C1C6C5H6180.0°180.0°
C1C6C5H5179.3°179.9°
C2C3C4H3180.0°180.0°
C2C3C4C50.5°0.1°
C2C3C4H4179.5°179.8°
C3C2O2C7164.0°152.3°
O2C2C3C4179.8°178.8°
O2C2C3H30.2°1.2°
C2O2C7N7153.2°178.8°
C2O2C7S728.5°61.5°
C2O2C7H785.7°58.3°
C3C4C5H4180.0°179.9°
C3C4C5C60.4°0.5°
C3C4C5H5179.6°179.4°
H3C3C4C5179.5°179.9°
H3C3C4H40.5°0.2°
C4C5C6H5180.0°180.0°
C4C5C6H6179.4°179.9°
H4C4C5C6179.6°179.4°
H4C4C5H50.4°0.6°
H5C5C6H60.7°0.0°
O2C7N7S7128.7°118.8°
O2C7N7H7116.4°120.6°
O2C7S7H7115.4°119.7°
O2C7N7HN7154.7°60.6°
O2C7N7HN72180.0°174.4°
N7C7S7H7120.9°120.6°
C7N7HN71HN72122.7°113.8°
S7C7N7HN71176.6°179.4°
S7C7N7HN7251.3°66.9°
H7C7N7HN7161.6°60.0°
H7C7N7HN7263.6°53.8°

225158

PDB entries from 2024-09-18

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