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WS0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCdoub1.21Å1.22Å
CC1sing1.51Å1.51Å
CO1sing1.34Å1.31Å
C1C2sing1.53Å1.53Å
C3C2sing1.53Å1.52Å
C3C4sing1.53Å1.52Å
C2C21sing1.53Å1.52Å
C21C20sing1.53Å1.52Å
C4C5sing1.53Å1.53Å
C5C20sing1.53Å1.53Å
C5C6sing1.51Å1.51Å
C6C19doub1.38Å1.38ÅAromatic
C6C7sing1.38Å1.39ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
C7C8doub1.38Å1.38ÅAromatic
C18C9doub1.40Å1.39ÅAromatic
C8C9sing1.40Å1.39ÅAromatic
C9C10sing1.47Å1.47Å
C10Ndoub1.30Å1.28Å
C10C15sing1.51Å1.52Å
NC11sing1.36Å1.38Å
C17C15sing1.53Å1.52Å
N1C12sing1.39Å1.33Å
C15C16sing1.53Å1.52Å
C15O2sing1.43Å1.46Å
C11C12doub1.40Å1.41ÅAromatic
C11C14sing1.40Å1.41ÅAromatic
C12N2sing1.33Å1.35ÅAromatic
O2C14sing1.35Å1.33Å
C14N3doub1.32Å1.31ÅAromatic
N2C13doub1.32Å1.33ÅAromatic
N3C13sing1.32Å1.32ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C13H3sing1.08Å1.08Å
C16H4sing1.09Å1.10Å
C16H5sing1.09Å1.10Å
C16H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C18H10sing1.08Å1.08Å
C19H11sing1.08Å1.08Å
C2H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C20H14sing1.09Å1.10Å
C3H15sing1.09Å1.10Å
C3H16sing1.09Å1.10Å
C4H17sing1.09Å1.10Å
C4H18sing1.09Å1.10Å
C5H19sing1.09Å1.10Å
C7H20sing1.08Å1.08Å
C8H21sing1.08Å1.08Å
N1H22sing0.97Å1.00Å
N1H23sing0.97Å1.00Å
O1H24sing0.97Å0.95Å
C21H25sing1.09Å1.10Å
C21H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCC1123.0°120.0°
OCO1123.6°120.0°
C1CO1113.4°120.0°
CC1C2113.8°109.5°
CC1H1108.4°109.5°
CC1H2108.4°109.5°
CO1H24109.5°117.0°
C1C2C3111.8°109.5°
C1C2C21111.6°109.5°
C2C1H1108.4°109.4°
C2C1H2108.4°109.4°
C1C2H12108.0°109.5°
C2C3C4112.0°109.5°
C3C2C21109.0°109.5°
C3C2H12108.1°109.5°
C2C3H15108.9°109.5°
C2C3H16108.8°109.5°
C3C4C5110.4°109.5°
C4C3H15108.9°109.4°
C4C3H16108.9°109.4°
C3C4H17109.3°109.5°
C3C4H18109.2°109.5°
C2C21C20111.9°109.5°
C21C2H12108.1°109.5°
C2C21H25108.9°109.5°
C2C21H26108.8°109.5°
C21C20C5110.9°109.4°
C21C20H13109.1°109.4°
C21C20H14109.1°109.5°
C20C21H25108.8°109.5°
C20C21H26108.9°109.4°
C4C5C20109.5°109.5°
C4C5C6112.9°109.5°
C5C4H17109.2°109.5°
C5C4H18109.2°109.4°
C4C5H19107.3°109.5°
C20C5C6112.2°109.4°
C5C20H13109.1°109.5°
C5C20H14109.1°109.5°
C20C5H19107.3°109.5°
C5C6C19120.9°119.8°
C5C6C7120.7°119.8°
C6C5H19107.4°109.5°
C19C6C7118.2°120.4°
C6C19C18121.0°120.2°
C6C19H11119.5°119.9°
C6C7C8121.1°120.2°
C6C7H20119.4°119.9°
C19C18C9120.7°119.8°
C19C18H10119.7°120.1°
C18C19H11119.5°119.9°
C7C8C9120.6°119.8°
C8C7H20119.5°119.9°
C7C8H21119.7°120.1°
C18C9C8118.4°119.7°
C18C9C10120.4°120.2°
C9C18H10119.7°120.1°
C8C9C10121.0°120.1°
C9C8H21119.7°120.1°
C9C10N117.9°119.7°
C9C10C15118.9°119.7°
NC10C15123.1°120.6°
C10NC11118.9°120.1°
C10C15C17110.5°109.4°
C10C15C16111.4°109.4°
C10C15O2114.1°109.8°
NC11C12122.2°121.9°
NC11C14122.8°119.8°
C17C15C16111.2°109.4°
C17C15O2105.0°109.3°
C15C17H7109.5°109.5°
C15C17H8109.4°109.5°
C15C17H9109.5°109.5°
N1C12C11123.4°120.7°
N1C12N2118.0°120.8°
C12N1H22109.5°120.0°
C12N1H23109.5°119.9°
C16C15O2104.4°109.4°
C15C16H4109.5°109.5°
C15C16H5109.4°109.5°
C15C16H6109.5°109.5°
C15O2C14120.1°116.1°
C12C11C14115.0°118.3°
C11C12N2118.6°118.4°
C11C14O2120.1°119.2°
C11C14N3126.8°119.1°
C12N2C13118.9°121.1°
O2C14N3113.0°121.7°
C14N3C13112.6°120.7°
N2C13N3128.1°122.4°
N2C13H3116.0°118.8°
N3C13H3116.0°118.8°
H1C1H2109.5°109.6°
H4C16H5109.5°109.5°
H4C16H6109.5°109.5°
H5C16H6109.4°109.5°
H7C17H8109.5°109.4°
H7C17H9109.5°109.4°
H8C17H9109.5°109.5°
H13C20H14109.5°109.5°
H15C3H16109.5°109.5°
H17C4H18109.5°109.5°
H22N1H23109.5°120.0°
H25C21H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCC1O1179.7°180.0°
OCC1C2108.6°0.0°
OCC1H1130.8°119.9°
OCC1H212.1°119.9°
OCO1H240.0°0.0°
CC1C2H1120.6°120.0°
CC1C2H2120.6°120.0°
CC1C2C3173.0°65.0°
CC1C2C2164.6°175.0°
CC1H1H2118.0°120.1°
CC1C2H1254.2°55.0°
C1CO1H24179.7°180.0°
O1CC1C271.1°180.0°
O1CC1H149.5°60.1°
O1CC1H2168.3°60.1°
C1C2C3C21123.9°120.0°
C1C2C3H12118.8°120.0°
C1C2C3C4179.3°180.0°
C1C2C21H12118.7°120.0°
C1C2C21C20179.7°NaN°
C2C1H1H2118.0°120.0°
C1C2C3H1558.9°60.0°
C1C2C3H1660.3°60.0°
C1C2C21H2559.9°60.0°
C1C2C21H2659.4°60.0°
C2C3C4H15120.4°120.0°
C2C3C4H16120.4°120.0°
C3C2C21H12117.3°120.0°
C3C2C21C2056.2°60.0°
C2C3C4C558.3°60.0°
C3C2C1H152.4°175.0°
C3C2C1H266.3°55.0°
C2C3H15H16118.8°120.1°
C2C3C4H1761.8°60.0°
C2C3C4H18178.4°180.0°
C3C2C21H2564.1°60.0°
C3C2C21H26176.6°180.0°
C4C3C2C2156.8°60.0°
C3C4C5H17120.2°120.0°
C3C4C5H18120.1°120.0°
C3C4C5C2057.0°60.0°
C3C4C5C6177.2°180.0°
C4C3C2H1260.5°60.0°
C4C3H15H16118.9°119.9°
C3C4H17H18119.6°120.0°
C3C4C5H1959.1°60.0°
C2C21C20H25120.4°120.0°
C2C21C20H26120.4°120.0°
C2C21C20C557.5°60.0°
C21C2C1H1174.8°55.0°
C21C2C1H256.1°65.0°
C2C21C20H13177.8°60.0°
C2C21C20H1462.7°180.0°
C21C2C3H15177.2°180.0°
C21C2C3H1663.6°60.0°
C2C21H25H26118.9°120.0°
C21C20C5C456.8°60.0°
C21C20C5H13120.2°120.0°
C21C20C5H14120.2°120.0°
C21C20C5C6177.0°180.0°
C20C21C2H1261.0°60.0°
C21C20H13H14119.3°120.0°
C21C20C5H1959.3°60.0°
C20C21H25H26118.9°120.0°
C4C5C20C6126.2°120.0°
C4C5C20H19116.1°120.0°
C4C5C6H19118.1°120.0°
C4C5C6C1973.1°120.0°
C4C5C6C7111.0°59.9°
C4C5C20H13177.0°59.9°
C4C5C20H1463.4°180.0°
C5C4C3H15178.7°180.0°
C5C4C3H1662.1°60.0°
C5C4H17H18119.5°120.0°
C20C5C6H19117.6°120.0°
C20C5C6C19162.6°120.0°
C20C5C6C713.3°60.0°
C5C20H13H14119.3°120.1°
C20C5C4H1763.1°60.0°
C20C5C4H18177.2°180.0°
C5C20C21H2562.9°60.0°
C5C20C21H26177.9°180.0°
C5C6C19C7176.0°179.9°
C5C6C19C18174.0°180.0°
C5C6C7C8174.0°180.0°
C5C6C19H116.0°0.0°
C6C5C20H1356.8°60.1°
C6C5C20H1462.8°60.0°
C6C5C4H1762.6°60.0°
C6C5C4H1857.1°60.0°
C5C6C7H205.9°0.0°
C6C19C18H11180.0°180.0°
C19C6C7C81.9°0.0°
C6C19C18C90.2°0.0°
C6C19C18H10179.9°179.7°
C19C6C5H1944.9°0.0°
C19C6C7H20178.1°179.9°
C7C6C19C182.0°0.0°
C6C7C8H20180.0°179.9°
C6C7C8C90.1°0.0°
C7C6C19H11178.1°180.0°
C7C6C5H19130.9°180.0°
C6C7C8H21179.9°179.9°
C19C18C9H10180.0°179.7°
C19C18C9C81.7°0.1°
C19C18C9C10174.7°179.7°
C7C8C9C181.7°0.1°
C7C8C9H21180.0°179.9°
C7C8C9C10174.6°179.7°
C18C9C8C10176.3°179.7°
C18C9C10N86.2°37.6°
C18C9C10C1591.4°142.7°
C9C18C19H11179.8°180.0°
C18C9C8H21178.3°180.0°
C8C9C10N90.0°142.8°
C8C9C10C1592.4°36.9°
C8C9C18H10178.3°179.7°
C9C8C7H20179.9°180.0°
C9C10NC15177.5°179.7°
C9C10NC11175.0°177.7°
C9C10C15C1761.2°29.9°
C9C10C15C1662.9°90.0°
C9C10C15O2179.2°149.9°
C10C9C18H105.4°0.0°
C10C9C8H215.4°0.4°
NC10C15C17116.3°150.4°
NC10C15C16119.7°89.7°
NC10C15O21.8°30.4°
C10NC11C12177.3°167.1°
C10NC11C140.3°13.6°
C15C10NC112.5°2.6°
C10C15C17C16124.2°119.9°
C10C15C17O2123.4°120.3°
C10C15C16O2123.6°120.3°
C10C15O2C149.3°43.6°
C10C15C16H4180.0°60.0°
C10C15C16H560.0°180.0°
C10C15C16H660.0°60.0°
C10C15C17H7180.0°51.6°
C10C15C17H860.0°171.6°
C10C15C17H960.0°68.4°
NC11C12N14.7°0.3°
NC11C12C14177.2°179.3°
NC11C12N2175.9°179.7°
NC11C14O28.1°0.9°
NC11C14N3175.1°179.9°
C17C15C16O2112.8°119.8°
C17C15O2C14111.8°163.6°
C17C15C16H456.3°59.9°
C17C15C16H5176.3°60.1°
C17C15C16H663.7°179.9°
C15C17H7H8120.0°120.0°
C15C17H7H9120.0°120.0°
C15C17H8H9120.0°120.1°
N1C12C11N2179.5°180.0°
N1C12C11C14178.1°179.6°
N1C12N2C13179.4°179.9°
C12N1H22H23120.0°179.9°
C16C15O2C14131.2°76.5°
C15C16H4H5120.0°120.0°
C15C16H4H6120.0°120.1°
C15C16H5H6120.0°120.0°
C16C15C17H755.8°171.5°
C16C15C17H864.2°68.6°
C16C15C17H9175.8°51.5°
C15O2C14C1112.4°31.1°
C15O2C14N3170.4°149.7°
O2C15C16H456.4°179.6°
O2C15C16H563.6°59.7°
O2C15C16H6176.4°60.3°
O2C15C17H756.6°68.7°
O2C15C17H8176.6°51.3°
O2C15C17H963.4°171.3°
C12C11C14O2174.7°178.4°
C12C11C14N32.1°0.8°
C11C12N2C130.1°0.1°
C11C12N1H22179.4°0.1°
C11C12N1H2360.6°179.9°
C14C11C12N21.3°0.4°
C11C14O2N3177.2°179.2°
C11C14N3C131.3°0.6°
C12N2C13N30.9°0.3°
C12N2C13H3179.1°179.8°
N2C12N1H220.0°180.0°
N2C12N1H23120.0°0.1°
O2C14N3C13175.7°178.6°
C14N3C13N20.3°0.0°
C14N3C13H3179.7°179.9°
N2C13N3H3180.0°180.0°
H1C1C2H1266.5°65.0°
H2C1C2H12174.8°175.0°
H4C16H5H6120.0°120.0°
H7C17H8H9120.0°119.9°
H10C18C19H110.1°0.3°
H12C2C3H1559.9°60.0°
H12C2C3H16179.1°179.9°
H12C2C21H25178.6°180.0°
H12C2C21H2659.3°60.0°
H13C20C5H1960.9°179.9°
H13C20C21H2557.4°180.0°
H13C20C21H2661.9°60.0°
H14C20C5H19179.5°60.0°
H14C20C21H25176.9°60.0°
H14C20C21H2657.7°60.0°
H15C3C4H1758.6°60.0°
H15C3C4H1861.2°60.0°
H16C3C4H17177.8°180.0°
H16C3C4H1858.1°60.0°
H17C4C5H19179.2°180.0°
H18C4C5H1961.0°60.0°
H20C7C8H210.1°0.1°

222415

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