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RW0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2Sdoub1.42Å1.44Å
O3Sdoub1.42Å1.44Å
SC12sing1.76Å1.77Å
SC16sing1.81Å1.75Å
C11C12doub1.36Å1.37ÅAromatic
C11C10sing1.40Å1.41ÅAromatic
C9C10doub1.40Å1.42ÅAromatic
C9N3sing1.31Å1.33ÅAromatic
C12C13sing1.39Å1.39ÅAromatic
C10C15sing1.42Å1.43ÅAromatic
N3C8doub1.33Å1.34ÅAromatic
C13C14doub1.36Å1.37ÅAromatic
C15C14sing1.40Å1.42ÅAromatic
C15C7doub1.41Å1.43ÅAromatic
C8C7sing1.38Å1.39ÅAromatic
C7N2sing1.40Å1.41Å
N2C6sing1.35Å1.35Å
C6C5sing1.51Å1.53Å
C6O1doub1.21Å1.23Å
C5C3sing1.53Å1.55Å
C5C17sing1.51Å1.52Å
C4C3sing1.53Å1.52Å
C3N1sing1.46Å1.48Å
OC1doub1.21Å1.23Å
CNsing1.47Å1.45Å
C1Nsing1.35Å1.33Å
C1C2sing1.51Å1.52Å
C17C18doub1.38Å1.39ÅAromatic
C17C22sing1.40Å1.40ÅAromatic
C18C19sing1.39Å1.38ÅAromatic
C2N1sing1.46Å1.46Å
N1C23sing1.35Å1.36Å
C22C23sing1.48Å1.47Å
C22C21doub1.39Å1.40ÅAromatic
C23O4doub1.22Å1.22Å
C19CLsing1.74Å1.74Å
C19C20doub1.39Å1.38ÅAromatic
C21C20sing1.38Å1.38ÅAromatic
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C8H5sing1.08Å1.08Å
C13H6sing1.08Å1.08Å
C20H7sing1.08Å1.08Å
C21H8sing1.08Å1.08Å
C2H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
NH11sing0.97Å1.00Å
CH12sing1.09Å1.10Å
CH13sing1.09Å1.10Å
CH14sing1.09Å1.10Å
C18H15sing1.08Å1.08Å
C3H16sing1.09Å1.10Å
N2H17sing0.97Å1.00Å
C9H18sing1.08Å1.08Å
C14H19sing1.08Å1.08Å
C11H20sing1.08Å1.08Å
C16H21sing1.09Å1.10Å
C16H22sing1.09Å1.10Å
C16H23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2SO3118.1°121.0°
O2SC12108.0°104.3°
O2SC16108.7°110.5°
O3SC12108.3°104.3°
O3SC16108.3°110.6°
C12SC16104.6°104.5°
SC12C11118.9°119.5°
SC12C13119.5°119.4°
SC16H21109.5°109.5°
SC16H22109.5°109.5°
SC16H23109.5°109.5°
C12C11C10120.1°119.5°
C11C12C13121.6°121.1°
C12C11H20120.0°120.3°
C11C10C9123.3°122.0°
C11C10C15119.1°119.3°
C10C11H20119.9°120.2°
C10C9N3124.1°120.2°
C9C10C15117.6°118.7°
C10C9H18117.9°119.9°
C9N3C8117.6°122.9°
N3C9H18117.9°119.9°
C12C13C14119.8°121.0°
C12C13H6120.1°119.6°
C10C15C14118.1°119.6°
C10C15C7118.1°118.2°
N3C8C7125.2°121.6°
N3C8H5117.4°119.2°
C13C14C15121.3°119.5°
C14C13H6120.1°119.5°
C13C14H19119.3°120.3°
C14C15C7123.8°122.2°
C15C14H19119.4°120.2°
C15C7C8117.4°118.5°
C15C7N2118.6°120.8°
C8C7N2123.9°120.8°
C7C8H5117.4°119.2°
C7N2C6127.3°120.0°
C7N2H17116.3°120.0°
N2C6C5115.0°120.0°
N2C6O1123.2°120.0°
C6N2H17116.4°120.0°
C5C6O1121.8°120.0°
C6C5C3109.3°109.4°
C6C5C17110.9°109.4°
C6C5H4109.7°109.3°
C3C5C17107.5°109.9°
C5C3C4112.0°109.2°
C5C3N1111.5°111.0°
C3C5H4109.5°109.4°
C5C3H16106.7°109.1°
C5C17C18121.7°120.9°
C5C17C22118.9°119.2°
C17C5H4109.9°109.4°
C4C3N1111.7°109.1°
C3C4H1109.5°109.5°
C3C4H2109.5°109.5°
C3C4H3109.5°109.4°
C4C3H16107.0°109.2°
C3N1C2117.3°119.4°
C3N1C23122.8°121.2°
N1C3H16107.6°109.1°
OC1N122.5°120.0°
OC1C2120.0°120.0°
CNC1122.5°120.0°
CNH11118.8°120.0°
NCH12109.5°109.4°
NCH13109.5°109.5°
NCH14109.5°109.4°
NC1C2117.5°120.0°
C1NH11118.8°120.0°
C1C2N1117.2°109.5°
C1C2H9107.5°109.5°
C1C2H10107.5°109.4°
C18C17C22119.3°119.8°
C17C18C19119.5°119.9°
C17C18H15120.3°120.1°
C17C22C23121.1°118.7°
C17C22C21119.8°120.0°
C18C19CL119.0°119.8°
C18C19C20121.7°120.5°
C19C18H15120.2°120.0°
C2N1C23119.8°119.4°
N1C2H9107.5°109.5°
N1C2H10107.5°109.5°
N1C23C22116.4°119.1°
N1C23O4121.9°120.5°
C23C22C21119.0°121.3°
C22C23O4121.7°120.4°
C22C21C20120.5°119.6°
C22C21H8119.7°120.2°
CLC19C20119.1°119.8°
C19C20C21119.1°120.1°
C19C20H7120.4°119.9°
C21C20H7120.4°119.9°
C20C21H8119.7°120.2°
H1C4H2109.4°109.5°
H1C4H3109.5°109.4°
H2C4H3109.4°109.5°
H9C2H10109.5°109.5°
H12CH13109.4°109.5°
H12CH14109.5°109.5°
H13CH14109.4°109.5°
H21C16H22109.5°109.5°
H21C16H23109.5°109.4°
H22C16H23109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2SO3C12123.1°116.7°
O2SO3C16124.0°131.5°
O2SC12C16115.7°116.1°
O2SC12C11130.8°26.1°
O2SC12C1348.0°153.9°
O2SC16H21180.0°51.7°
O2SC16H2260.0°68.4°
O2SC16H2360.0°171.6°
O3SC12C16115.3°116.1°
O3SC12C111.8°153.9°
O3SC12C13177.0°26.1°
O3SC16H2150.5°171.6°
O3SC16H2269.5°68.4°
O3SC16H23170.5°51.6°
SC12C11C13178.8°180.0°
SC12C11C10179.1°180.0°
SC12C13C14179.5°180.0°
SC12C13H60.5°0.0°
SC12C11H200.9°0.0°
C12SC16H2164.8°60.0°
C12SC16H22175.2°180.0°
C12SC16H2355.2°60.0°
C16SC12C11113.5°90.0°
C16SC12C1367.6°90.0°
SC16H21H22120.0°120.1°
SC16H21H23120.0°120.0°
SC16H22H23120.0°120.0°
C12C11C10H20180.0°180.0°
C12C11C10C9179.8°180.0°
C12C11C10C150.6°0.1°
C11C12C13C140.7°0.0°
C11C12C13H6179.3°180.0°
C11C10C9C15179.2°180.0°
C11C10C9N3177.3°179.9°
C10C11C12C130.3°0.0°
C11C10C15C141.2°0.0°
C11C10C15C7177.8°180.0°
C11C10C9H182.7°0.0°
C10C9N3H18180.0°180.0°
C10C9N3C81.0°0.0°
C9C10C15C14179.6°180.0°
C9C10C15C71.4°0.0°
C9C10C11H200.2°0.0°
N3C9C10C151.9°0.0°
C9N3C8C70.4°0.0°
C9N3C8H5179.7°180.0°
C12C13C14H6180.0°179.9°
C12C13C14C150.1°0.1°
C12C13C14H19179.9°180.0°
C13C12C11H20179.7°180.0°
C10C15C14C130.8°0.0°
C10C15C14C7178.9°180.0°
C10C15C7C80.2°0.0°
C10C15C7N2177.5°180.0°
C15C10C9H18178.1°180.0°
C10C15C14H19179.2°180.0°
C15C10C11H20179.3°179.9°
N3C8C7C150.7°0.0°
N3C8C7H5180.0°180.0°
N3C8C7N2178.3°180.0°
C8N3C9H18179.0°180.0°
C13C14C15H19180.0°180.0°
C13C14C15C7178.1°180.0°
C14C15C7C8179.1°180.0°
C14C15C7N21.5°0.0°
C15C14C13H6179.9°180.0°
C15C7C8N2177.5°180.0°
C15C7N2C685.2°155.3°
C15C7C8H5179.3°180.0°
C15C7N2H1794.8°24.7°
C7C15C14H191.9°0.0°
C8C7N2C692.3°24.7°
C8C7N2H1787.7°155.3°
C7N2C6H17180.0°180.0°
C7N2C6C5178.8°174.2°
C7N2C6O10.6°5.8°
N2C7C8H51.8°0.0°
N2C6C5O1179.4°180.0°
N2C6C5C3100.0°174.8°
N2C6C5C17141.6°64.7°
N2C6C5H420.1°55.1°
C6C5C3C17120.5°120.2°
C6C5C3H4120.2°119.7°
C6C5C17H4121.5°119.7°
C6C5C3C4165.2°170.6°
C6C5C3N168.9°69.0°
C6C5C17C1895.9°93.8°
C6C5C17C2280.2°86.5°
C6C5C3H1648.3°51.3°
C5C6N2H171.2°5.8°
O1C6C5C379.4°5.2°
O1C6C5C1739.0°115.2°
O1C6C5H4160.6°125.0°
O1C6N2H17179.4°174.3°
C3C5C17H4119.1°120.1°
C5C3C4N1125.8°121.5°
C5C3C4H16116.7°119.3°
C5C3N1H16116.7°120.3°
C3C5C17C18144.7°146.0°
C3C5C17C2239.2°33.7°
C5C3N1C2150.1°142.0°
C5C3N1C2334.2°37.8°
C5C3C4H1180.0°59.9°
C5C3C4H260.0°180.0°
C5C3C4H360.0°60.0°
C17C5C3C474.3°69.2°
C17C5C3N151.6°51.1°
C5C17C18C22176.1°179.7°
C5C17C18C19173.7°180.0°
C5C17C22C235.2°0.5°
C5C17C22C21175.0°180.0°
C5C17C18H156.3°0.1°
C17C5C3H16168.8°171.5°
C4C3N1H16117.2°119.2°
C4C3N1C283.8°97.6°
C4C3N1C2392.0°82.6°
C3C4H1H2120.0°120.1°
C3C4H1H3120.0°119.9°
C3C4H2H3120.0°120.0°
C4C3C5H445.0°50.9°
C3N1C2C198.5°85.8°
C3N1C2C23175.9°179.8°
C3N1C23C221.6°2.5°
C3N1C23O4178.3°177.6°
N1C3C4H154.2°61.6°
N1C3C4H2174.2°58.5°
N1C3C4H365.9°178.5°
N1C3C5H4171.0°171.3°
C3N1C2H9140.3°154.2°
C3N1C2H1022.6°34.1°
OC1NC0.0°0.0°
OC1NC2179.7°179.9°
OC1C2N1161.1°5.3°
OC1C2H977.7°114.7°
OC1C2H1040.0°125.3°
OC1NH11179.9°179.9°
CNC1H11180.0°179.9°
CNC1C2179.8°180.0°
NCH12H13120.0°120.0°
NCH12H14120.1°119.9°
NCH13H14120.0°120.0°
NC1C2N119.1°174.8°
NC1C2H9102.0°65.2°
NC1C2H10140.2°54.7°
C1NCH12180.0°60.0°
C1NCH1360.0°60.0°
C1NCH1460.0°180.0°
C1C2N1H9121.1°120.0°
C1C2N1H10121.1°120.0°
C1C2N1C2385.6°94.4°
C1C2H9H10116.5°119.9°
C2C1NH110.2°0.0°
C17C18C19H15180.0°179.9°
C18C17C22C23178.6°179.8°
C18C17C22C211.2°0.3°
C17C18C19CL173.4°179.7°
C17C18C19C202.3°0.0°
C18C17C5H425.6°25.9°
C22C17C18C192.4°0.3°
C17C22C23N117.6°18.2°
C17C22C23C21179.7°179.5°
C17C22C23O4162.3°161.7°
C17C22C21C200.2°0.0°
C22C17C5H4158.3°153.8°
C17C22C21H8179.8°179.7°
C22C17C18H15177.6°179.6°
C18C19CLC20175.7°179.8°
C18C19C20C210.9°0.3°
C18C19C20H7179.1°179.8°
C2N1C23C22174.0°177.2°
C2N1C23O46.0°2.7°
N1C2H9H10116.5°120.1°
C2N1C3H1633.4°21.6°
N1C23C22O4179.9°179.9°
N1C23C22C21162.2°162.4°
C23N1C2H935.6°25.6°
C23N1C2H10153.3°145.6°
C23N1C3H16150.8°158.1°
C23C22C21C20179.9°179.5°
C23C22C21H80.1°0.3°
C21C22C23O417.9°17.8°
C22C21C20C190.3°0.3°
C22C21C20H8180.0°179.8°
C22C21C20H7179.7°179.8°
CLC19C20C21174.7°180.0°
CLC19C20H75.3°0.0°
CLC19C18H156.6°0.3°
C19C20C21H7180.0°180.0°
C19C20C21H8179.7°180.0°
C20C19C18H15177.7°179.9°
H1C4H2H3120.0°120.0°
H1C4C3H1663.3°179.2°
H2C4C3H1656.7°60.8°
H3C4C3H16176.6°59.3°
H4C5C3H1671.9°68.4°
H6C13C14H190.1°0.1°
H7C20C21H80.3°0.0°
H11NCH120.0°120.0°
H11NCH13120.0°120.0°
H11NCH14120.0°0.1°
H12CH13H14120.0°120.0°
H21C16H22H23120.0°119.9°

222926

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