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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCsing1.36Å1.39Å
CC1doub1.39Å1.40ÅAromatic
C1C2sing1.38Å1.41ÅAromatic
C2Ssing1.76Å1.66Å
C3Ssing1.76Å1.67Å
C3C4doub1.37Å1.37ÅAromatic
C4C5sing1.41Å1.42ÅAromatic
C5Ndoub1.33Å1.38ÅAromatic
NC6sing1.31Å1.32ÅAromatic
C6C7doub1.39Å1.45ÅAromatic
S1C7sing1.76Å1.70Å
C8S1sing1.76Å1.66Å
C8C9doub1.38Å1.43ÅAromatic
C9C10sing1.38Å1.38ÅAromatic
C10C11doub1.38Å1.38ÅAromatic
C11C12sing1.39Å1.43ÅAromatic
O1C12sing1.36Å1.35Å
C12C13doub1.39Å1.37ÅAromatic
C13C8sing1.38Å1.39ÅAromatic
O2S1doub1.42Å1.42Å
O3S1doub1.42Å1.43Å
C7C14sing1.36Å1.36ÅAromatic
C14C15doub1.41Å1.41ÅAromatic
C5C15sing1.42Å1.40ÅAromatic
C15N1sing1.34Å1.36ÅAromatic
N1C16doub1.31Å1.31ÅAromatic
C16C3sing1.39Å1.44ÅAromatic
O4Sdoub1.42Å1.41Å
SO5doub1.42Å1.41Å
C17C2doub1.38Å1.41ÅAromatic
C18C17sing1.38Å1.39ÅAromatic
C19C18doub1.38Å1.40ÅAromatic
CC19sing1.39Å1.42ÅAromatic
C1H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C9H4sing1.08Å1.08Å
C17H11sing1.08Å1.08Å
C18H12sing1.08Å1.08Å
C19H13sing1.08Å1.08Å
OHsing0.97Å0.95Å
C16H10sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
C13H8sing1.08Å1.08Å
O1H7sing0.97Å0.95Å
C11H6sing1.08Å1.08Å
C10H5sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCC1114.5°120.0°
OCC19124.9°120.1°
COH109.5°114.0°
CC1C2119.5°119.9°
C1CC19120.5°119.9°
CC1H1120.3°120.0°
C1C2S119.8°120.0°
C1C2C17119.3°120.1°
C2C1H1120.3°120.0°
C2SC3106.7°107.2°
C2SO4108.8°106.4°
C2SO5107.6°106.4°
SC2C17120.7°120.0°
SC3C4122.9°120.0°
SC3C16118.9°120.0°
C3SO4106.4°106.4°
C3SO5107.2°106.4°
C3C4C5118.4°118.3°
C4C3C16118.2°120.0°
C3C4H2120.8°120.9°
C4C5N118.7°121.2°
C4C5C15118.2°118.7°
C5C4H2120.8°120.9°
C5NC6116.2°121.2°
NC5C15123.1°120.1°
NC6C7125.0°121.7°
NC6H3117.5°119.1°
C6C7S1121.1°120.0°
C6C7C14117.3°120.0°
C7C6H3117.5°119.2°
C7S1C8100.7°107.2°
C7S1O2111.2°106.4°
C7S1O3105.5°106.4°
S1C7C14121.6°120.0°
S1C8C9122.7°120.0°
S1C8C13118.4°120.0°
C8S1O2109.5°106.4°
C8S1O3109.6°106.4°
C8C9C10121.8°120.1°
C9C8C13119.0°120.0°
C8C9H4119.1°119.9°
C9C10C11118.9°120.0°
C10C9H4119.1°119.9°
C9C10H5120.6°120.0°
C10C11C12119.3°120.0°
C10C11H6120.4°120.0°
C11C10H5120.5°120.0°
C11C12O1117.6°120.1°
C11C12C13121.9°119.8°
C12C11H6120.3°120.0°
O1C12C13120.5°120.0°
C12O1H7109.5°114.0°
C12C13C8119.1°120.0°
C12C13H8120.4°120.0°
C8C13H8120.5°120.0°
O2S1O3118.8°123.2°
C7C14C15119.6°118.2°
C7C14H9120.2°120.9°
C14C15C5118.8°118.7°
C14C15N1116.9°121.1°
C15C14H9120.2°120.9°
C5C15N1124.2°120.1°
C15N1C16116.1°121.2°
N1C16C3124.9°121.7°
N1C16H10117.6°119.1°
C3C16H10117.5°119.2°
O4SO5119.5°123.2°
C2C17C18121.1°120.1°
C2C17H11119.5°120.0°
C17C18C19120.1°120.0°
C18C17H11119.5°119.9°
C17C18H12120.0°120.0°
C18C19C119.5°120.0°
C19C18H12120.0°119.9°
C18C19H13120.2°120.0°
CC19H13120.3°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCC1C19177.3°179.6°
OCC1C2175.4°179.9°
OCC19C18175.7°180.0°
OCC1H14.6°0.2°
OCC19H134.3°0.1°
CC1C2H1180.0°179.7°
CC1C2S174.2°179.8°
CC1C2C171.2°0.3°
C1CC19C181.2°0.5°
C1CC19H13178.8°179.7°
C1COH180.0°90.0°
C1C2SC17175.3°179.9°
C1C2SC3115.0°90.0°
C1C2SO40.7°23.5°
C1C2SO5130.2°156.4°
C1C2C17C180.1°0.1°
C2C1CC191.9°0.5°
C1C2C17H11179.9°180.0°
C2SC3O4116.0°113.5°
C2SC3O5115.0°113.5°
C2SC3C486.7°90.0°
C2SC3C1691.8°90.0°
C2SO4O5124.1°123.0°
SC2C17C18175.5°180.0°
SC2C1H15.8°0.1°
SC2C17H114.5°0.0°
SC3C4C16178.5°179.9°
SC3C4C5176.3°180.0°
SC3C16N1177.3°180.0°
C3SO4O5121.4°123.0°
C3SC2C1769.6°90.0°
SC3C4H23.7°0.1°
SC3C16H102.7°0.1°
C3C4C5H2180.0°179.9°
C3C4C5N176.3°180.0°
C3C4C5C151.6°0.1°
C4C3C16N11.2°0.0°
C4C3SO429.3°156.4°
C4C3SO5158.3°23.5°
C4C3C16H10178.8°180.0°
C4C5NC15177.7°179.9°
C4C5NC6177.8°180.0°
C4C5C15C14178.2°179.7°
C4C5C15N10.3°0.0°
C5C4C3C162.2°0.1°
C5NC6C70.8°0.3°
NC5C15C140.5°0.2°
NC5C15N1178.0°179.9°
NC5C4H23.7°0.1°
C5NC6H3179.2°180.0°
NC6C7H3180.0°179.7°
NC6C7S1177.4°179.8°
NC6C7C141.2°0.3°
C6NC5C150.1°0.0°
C6C7S1C14178.5°179.9°
C6C7S1C871.3°90.0°
C6C7S1O2172.7°23.5°
C6C7S1O342.6°156.4°
C6C7C14C150.7°0.0°
C6C7C14H9179.3°179.9°
C7S1C8O2117.2°113.5°
C7S1C8O3110.9°113.6°
C7S1C8C963.6°90.0°
C7S1C8C13115.6°89.7°
C7S1O2O3122.8°123.0°
S1C7C14C15177.9°179.9°
S1C7C6H32.6°0.1°
S1C7C14H92.2°0.2°
S1C8C9C13179.2°179.7°
S1C8C9C10178.8°179.9°
S1C8C13C12178.4°180.0°
C8S1O2O3126.9°122.9°
C8S1C7C14107.2°90.0°
S1C8C9H41.2°0.0°
S1C8C13H81.6°0.1°
C8C9C10H4180.0°179.9°
C8C9C10C110.0°0.1°
C9C8C13C120.8°0.3°
C9C8S1O2179.3°156.4°
C9C8S1O347.3°23.5°
C9C8C13H8179.2°179.8°
C8C9C10H5180.0°180.0°
C9C10C11H5180.0°179.9°
C9C10C11C120.1°0.3°
C10C9C8C130.4°0.2°
C9C10C11H6179.9°180.0°
C10C11C12H6180.0°179.7°
C10C11C12O1178.0°179.7°
C10C11C12C130.6°0.3°
C11C10C9H4180.0°180.0°
C11C12O1C13178.7°180.0°
C11C12C13C81.0°0.0°
C11C12C13H8179.0°179.9°
C11C12O1H7180.0°89.9°
C12C11C10H5179.9°179.8°
O1C12C13C8177.6°180.0°
O1C12C13H82.4°0.1°
O1C12C11H62.0°0.0°
C12C13C8H8180.0°179.9°
C13C12O1H71.3°90.0°
C13C12C11H6179.4°180.0°
C13C8S1O21.5°23.8°
C13C8S1O3133.5°156.7°
C13C8C9H4179.6°179.7°
O2S1C7C148.8°156.5°
O3S1C7C14138.9°23.5°
C7C14C15H9180.0°179.9°
C7C14C15C50.1°0.2°
C7C14C15N1178.5°180.0°
C14C7C6H3178.8°180.0°
C14C15C5N1178.5°179.7°
C14C15N1C16177.2°179.7°
C5C15N1C161.3°0.0°
C15C5C4H2178.5°180.0°
C5C15C14H9180.0°179.7°
C15N1C16C30.5°0.0°
C15N1C16H10179.4°179.9°
N1C15C14H91.4°0.0°
N1C16C3H10180.0°179.9°
C16C3SO4152.2°23.5°
C16C3SO523.2°156.4°
C16C3C4H2177.8°180.0°
O4SC2C17176.0°156.5°
O5SC2C1745.1°23.5°
C2C17C18H11180.0°180.0°
C2C17C18C190.7°0.0°
C17C2C1H1178.8°180.0°
C2C17C18H12179.3°180.0°
C17C18C19H12180.0°180.0°
C17C18C19C0.1°0.2°
C17C18C19H13179.9°179.9°
C18C19CH13180.0°179.8°
C19C18C17H11179.3°180.0°
C19CC1H1178.2°179.8°
CC19C18H12180.0°179.8°
C19COH2.9°89.5°
H4C9C10H50.0°0.1°
H11C17C18H120.7°0.0°
H12C18C19H130.1°0.1°
H6C11C10H50.1°0.0°

262513

PDB entries from 2026-11-04

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