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VQ7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C3C2sing1.53Å1.52Å
C3Ssing1.82Å1.65Å
O1Sdoub1.42Å1.43Å
C2N1sing1.46Å1.47Å
SOdoub1.42Å1.44Å
SC4sing1.82Å1.67Å
CNsing1.46Å1.48Å
N1C1sing1.37Å1.43Å
N1C5sing1.46Å1.47Å
NC1sing1.37Å1.37Å
NC22sing1.35Å1.33Å
C1C6doub1.38Å1.41Å
O4C22doub1.22Å1.25Å
C22N2sing1.33Å1.34Å
C5C4sing1.53Å1.54Å
C6C7sing1.40Å1.40Å
N2C7doub1.33Å1.34Å
C7O2sing1.35Å1.37Å
O2C8sing1.43Å1.44Å
C8C9sing1.51Å1.52Å
C21C9doub1.38Å1.40ÅAromatic
C21C20sing1.38Å1.39ÅAromatic
C9C10sing1.38Å1.39ÅAromatic
F4C20sing1.35Å1.35Å
C20C12doub1.39Å1.39ÅAromatic
C10C11doub1.38Å1.40ÅAromatic
C12C11sing1.39Å1.39ÅAromatic
C12O3sing1.36Å1.38Å
C14C15doub1.38Å1.39ÅAromatic
C14C13sing1.39Å1.40ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
C11Fsing1.35Å1.36Å
O3C13sing1.36Å1.39Å
C13C19doub1.39Å1.39ÅAromatic
C16CLsing1.74Å1.80Å
C16C17doub1.38Å1.39ÅAromatic
C19C17sing1.38Å1.40ÅAromatic
C17C18sing1.51Å1.51Å
F2C18sing1.40Å1.32Å
C18F3sing1.40Å1.32Å
C18F1sing1.40Å1.32Å
CH1sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH3sing1.09Å1.10Å
C6H4sing1.08Å1.08Å
C5H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C3H9sing1.09Å1.10Å
C3H10sing1.09Å1.10Å
C2H11sing1.09Å1.10Å
C2H12sing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C8H14sing1.09Å1.10Å
C21H15sing1.08Å1.08Å
C10H16sing1.08Å1.08Å
C19H17sing1.08Å1.08Å
C15H18sing1.08Å1.08Å
C14H19sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C3S108.5°109.0°
C3C2N1113.2°109.8°
C2C3H9109.7°109.6°
C2C3H10109.7°109.6°
C3C2H11108.6°109.5°
C3C2H12108.5°109.5°
C3SO1107.9°108.7°
C3SO109.6°108.7°
C3SC4107.8°101.4°
SC3H9109.7°109.7°
SC3H10109.7°109.4°
O1SO109.5°119.3°
O1SC4110.4°108.7°
C2N1C1123.3°119.7°
C2N1C5118.5°120.6°
N1C2H11108.5°109.4°
N1C2H12108.6°109.2°
OSC4111.6°108.6°
SC4C5112.9°108.9°
SC4H7108.6°109.6°
SC4H8108.6°109.7°
CNC1128.0°119.9°
CNC22110.8°119.9°
NCH1109.5°109.5°
NCH2109.4°109.5°
NCH3109.5°109.5°
C1N1C5118.2°119.7°
N1C1N126.4°120.6°
N1C1C6117.2°120.6°
N1C5C4108.5°109.5°
N1C5H5109.7°109.5°
N1C5H6109.7°109.5°
C1NC22121.2°120.1°
NC1C6116.3°118.9°
NC22O4117.5°119.4°
NC22N2122.8°121.3°
C1C6C7120.8°118.8°
C1C6H4119.6°120.6°
O4C22N2119.7°119.3°
C22N2C7119.7°121.1°
C4C5H5109.7°109.5°
C4C5H6109.7°109.4°
C5C4H7108.6°109.5°
C5C4H8108.6°109.6°
C6C7N2119.2°119.8°
C6C7O2123.7°120.1°
C7C6H4119.6°120.7°
N2C7O2117.1°120.1°
C7O2C8120.0°117.0°
O2C8C9108.0°109.5°
O2C8H13109.8°109.5°
O2C8H14109.8°109.4°
C8C9C21120.3°120.0°
C8C9C10120.3°119.9°
C9C8H13109.8°109.5°
C9C8H14109.8°109.5°
C9C21C20120.2°120.1°
C21C9C10119.4°120.1°
C9C21H15119.9°119.9°
C21C20F4120.0°120.0°
C21C20C12120.3°120.0°
C20C21H15119.9°120.0°
C9C10C11120.1°120.0°
C9C10H16120.0°119.9°
F4C20C12119.7°120.0°
C20C12C11119.7°119.8°
C20C12O3121.7°120.1°
C10C11C12120.4°119.9°
C10C11F122.4°120.0°
C11C10H16120.0°120.0°
C11C12O3118.6°120.1°
C12C11F117.2°120.0°
C12O3C13116.2°118.0°
C15C14C13121.4°119.9°
C14C15C16119.2°120.1°
C14C15H18120.4°119.9°
C15C14H19119.3°120.1°
C14C13O3119.3°120.0°
C14C13C19118.7°119.9°
C13C14H19119.3°120.0°
C15C16CL119.7°119.9°
C15C16C17120.4°120.1°
C16C15H18120.4°120.0°
O3C13C19122.1°120.0°
C13C19C17120.4°119.9°
C13C19H17119.8°120.0°
CLC16C17119.9°119.9°
C16C17C19119.9°120.0°
C16C17C18119.6°120.0°
C19C17C18120.5°120.0°
C17C19H17119.8°120.0°
C17C18F2111.0°109.4°
C17C18F3110.3°109.5°
C17C18F1108.9°109.5°
F2C18F3107.8°109.5°
F2C18F1109.1°109.5°
F3C18F1109.7°109.5°
H1CH2109.5°109.4°
H1CH3109.4°109.5°
H2CH3109.5°109.5°
H5C5H6109.5°109.5°
H7C4H8109.4°109.6°
H9C3H10109.5°109.6°
H11C2H12109.5°109.4°
H13C8H14109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C3SH9119.9°120.0°
C2C3SH10119.9°119.8°
C2C3SO1148.8°58.9°
C3C2N1H11120.6°120.2°
C3C2N1H12120.6°120.0°
C2C3SO92.1°169.8°
C2C3SC429.6°55.5°
C3C2N1C1146.1°115.7°
C3C2N1C533.6°64.1°
C2C3H9H10120.5°120.3°
C3C2H11H12118.3°120.0°
C3SO1O119.2°125.3°
C3SO1C4117.5°109.5°
SC3C2N164.0°58.1°
C3SOC4119.3°109.5°
C3SC4C529.9°55.6°
C3SC4H790.6°175.4°
C3SC4H8150.4°64.3°
SC3H9H10120.4°120.1°
SC3C2H11175.4°178.3°
SC3C2H1256.5°61.8°
O1SOC4122.5°125.2°
O1SC4C587.7°58.9°
O1SC4H7151.8°60.9°
O1SC4H832.8°178.7°
O1SC3H991.4°61.0°
O1SC3H1028.9°178.7°
C2N1C1C5179.7°179.8°
C2N1C1N25.1°87.7°
C2N1C1C6154.3°92.3°
C2N1C5C430.1°64.1°
C2N1C5H589.7°55.9°
C2N1C5H6150.0°175.9°
N1C2C3H9176.1°178.1°
N1C2C3H1055.8°61.5°
N1C2H11H12118.3°119.7°
OSC4C5150.3°169.9°
OSC4H729.8°70.3°
OSC4H889.2°50.1°
OSC3H927.8°70.2°
OSC3H10148.1°50.0°
SC4C5N161.8°58.3°
SC4C5H7120.5°119.8°
SC4C5H8120.5°119.9°
SC4C5H558.1°61.7°
SC4C5H6178.4°178.3°
SC4H7H8118.5°120.4°
C4SC3H9149.4°175.4°
C4SC3H1090.3°64.3°
CNC1N11.6°0.0°
CNC1C22178.4°179.9°
CNC1C6178.9°180.0°
CNC22O41.1°0.0°
CNC22N2179.1°179.7°
NCH1H2120.0°119.9°
NCH1H3120.0°120.0°
NCH2H3120.0°120.0°
N1C1NC6179.5°179.9°
N1C1NC22180.0°179.9°
C1N1C5C4150.1°115.7°
N1C1C6C7179.4°179.7°
N1C1C6H40.6°0.1°
C1N1C5H590.0°124.3°
C1N1C5H630.3°4.3°
C1N1C2H1125.6°4.5°
C1N1C2H1293.3°124.3°
C5N1C1N155.2°92.5°
C5N1C1C625.4°87.4°
N1C5C4H5119.8°120.0°
N1C5C4H6119.9°120.0°
N1C5H5H6120.5°120.0°
N1C5C4H758.8°178.1°
N1C5C4H8177.7°61.6°
C5N1C2H11154.2°175.7°
C5N1C2H1287.0°55.9°
C1NC22O4179.8°180.0°
C1NC22N20.5°0.2°
NC1C6C70.1°0.2°
C1NCH1180.0°86.3°
C1NCH260.0°153.8°
C1NCH360.0°33.7°
NC1C6H4179.9°180.0°
C22NC1C60.5°0.0°
NC22O4N2179.7°179.8°
NC22N2C70.2°0.2°
C22NCH11.4°93.7°
C22NCH2121.5°26.2°
C22NCH3118.6°146.2°
C1C6C7H4180.0°179.8°
C1C6C7N20.7°0.2°
C1C6C7O2179.8°179.7°
O4C22N2C7179.6°180.0°
C22N2C7C60.7°0.0°
C22N2C7O2179.9°179.9°
C4C5H5H6120.4°120.0°
C5C4H7H8118.4°120.2°
C6C7N2O2179.2°179.9°
C6C7O2C8168.6°179.9°
N2C7O2C810.5°0.0°
N2C7C6H4179.3°180.0°
C7O2C8C9148.6°179.9°
O2C7C6H40.2°0.1°
C7O2C8H1391.6°59.9°
C7O2C8H1428.8°59.9°
O2C8C9H13119.8°120.1°
O2C8C9H14119.8°120.0°
O2C8C9C21116.1°89.7°
O2C8C9C1063.1°90.1°
O2C8H13H14120.7°119.9°
C8C9C21C10179.3°179.8°
C8C9C21C20179.4°180.0°
C8C9C10C11179.9°179.8°
C9C8H13H14120.7°120.0°
C8C9C21H150.6°0.0°
C8C9C10H160.1°0.1°
C9C21C20H15180.0°179.9°
C9C21C20F4179.4°180.0°
C9C21C20C120.5°0.1°
C21C9C10C110.6°0.4°
C21C9C8H133.6°150.2°
C21C9C8H14124.1°30.2°
C21C9C10H16179.4°179.8°
C20C21C9C100.2°0.2°
C21C20F4C12179.9°180.0°
C21C20C12C110.8°0.1°
C21C20C12O3178.6°180.0°
C9C10C11H16180.0°179.8°
C9C10C11C120.3°0.4°
C9C10C11F180.0°179.8°
C10C9C8H13177.1°30.0°
C10C9C8H1456.7°150.0°
C10C9C21H15179.9°179.8°
F4C20C12C11179.1°180.0°
F4C20C12O31.3°0.0°
F4C20C21H150.6°0.0°
C20C12C11C100.4°0.2°
C20C12C11O3177.8°179.9°
C20C12C11F179.3°179.9°
C20C12O3C13106.5°90.0°
C12C20C21H15179.4°180.0°
C10C11C12F179.7°179.8°
C10C11C12O3178.2°179.8°
C11C12O3C1371.3°89.9°
C12C11C10H16179.7°179.8°
C12O3C13C147.1°0.3°
O3C12C11F1.5°0.0°
C12O3C13C19173.0°180.0°
C15C14C13H19180.0°179.5°
C14C15C16H18180.0°179.7°
C15C14C13O3179.4°179.8°
C15C14C13C190.7°0.6°
C14C15C16CL179.3°179.7°
C14C15C16C170.5°0.3°
C13C14C15C161.0°0.6°
C14C13O3C19179.9°179.7°
C14C13C19C170.1°0.3°
C14C13C19H17179.8°179.7°
C13C14C15H18178.9°179.7°
C15C16CLC17179.8°180.0°
C15C16C17C190.3°0.0°
C15C16C17C18179.9°180.0°
C16C15C14H19178.9°180.0°
FC11C10H160.1°0.0°
O3C13C19C17179.8°179.9°
O3C13C19H170.2°0.0°
O3C13C14H190.7°0.3°
C13C19C17C160.7°0.0°
C13C19C17H17180.0°180.0°
C13C19C17C18179.8°180.0°
C19C13C14H19179.3°180.0°
CLC16C17C19179.9°180.0°
CLC16C17C180.3°0.0°
CLC16C15H180.7°0.0°
C16C17C19C18179.6°180.0°
C16C17C18F296.5°60.0°
C16C17C18F322.9°180.0°
C16C17C18F1143.4°60.0°
C16C17C19H17179.3°180.0°
C17C16C15H18179.5°180.0°
C19C17C18F284.0°120.0°
C19C17C18F3156.6°0.0°
C19C17C18F136.2°120.0°
C17C18F2F3120.9°120.0°
C17C18F2F1120.0°120.0°
C17C18F3F1119.9°120.0°
C18C17C19H170.2°0.0°
F2C18F3F1118.7°120.0°
H1CH2H3120.0°120.0°
H5C5C4H7178.6°58.1°
H5C5C4H862.4°178.3°
H6C5C4H761.1°61.9°
H6C5C4H857.8°58.4°
H9C3C2H1155.6°61.7°
H9C3C2H1263.3°58.2°
H10C3C2H1164.7°58.6°
H10C3C2H12176.4°178.6°
H18C15C14H191.1°0.2°

224931

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