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G58

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.47Å1.45Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
F1C21sing1.35Å1.34Å
C2N1sing1.35Å1.37ÅAromatic
N1C4sing1.37Å1.36ÅAromatic
S1O1doub1.42Å1.46Å
C3S1sing1.76Å1.74Å
N3S1sing1.66Å1.76Å
S1O2doub1.42Å1.45Å
C25CL1sing1.74Å1.72Å
C2N2doub1.31Å1.31ÅAromatic
C2H2sing1.08Å1.08Å
N2C3sing1.34Å1.38ÅAromatic
C18S2sing1.81Å1.76Å
O3S2doub1.42Å1.45Å
S2C16sing1.76Å1.78Å
S2O4doub1.42Å1.45Å
C4C3doub1.35Å1.38ÅAromatic
C5N3sing1.47Å1.49Å
C19N3sing1.47Å1.54Å
C4H4sing1.08Å1.08Å
C5C6sing1.51Å1.49Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C11C6doub1.38Å1.37ÅAromatic
C6C7sing1.38Å1.38ÅAromatic
C7C8doub1.38Å1.38ÅAromatic
C7H7sing1.08Å1.08Å
C9C8sing1.39Å1.37ÅAromatic
C8H8sing1.08Å1.08Å
C10C9doub1.39Å1.38ÅAromatic
C12C9sing1.48Å1.45ÅAromatic
C11C10sing1.38Å1.37ÅAromatic
C10H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C17C12doub1.39Å1.38ÅAromatic
C12C13sing1.39Å1.38ÅAromatic
C14C13doub1.38Å1.38ÅAromatic
C13H13sing1.08Å1.08Å
C15C14sing1.38Å1.38ÅAromatic
C14H14sing1.08Å1.08Å
C16C15doub1.38Å1.38ÅAromatic
C15H15sing1.08Å1.08Å
C16C17sing1.38Å1.38ÅAromatic
C17H17sing1.08Å1.08Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C18H18Bsing1.09Å1.10Å
C20C19sing1.51Å1.53Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C21C20doub1.38Å1.38ÅAromatic
C20C25sing1.38Å1.38ÅAromatic
C22C21sing1.39Å1.38ÅAromatic
C22C23doub1.38Å1.38ÅAromatic
C22H22sing1.08Å1.08Å
C23C24sing1.38Å1.37ÅAromatic
C23H23sing1.08Å1.08Å
C24C25doub1.38Å1.38ÅAromatic
C24H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C1H1109.5°109.5°
N1C1H1A109.5°109.5°
N1C1H1B109.4°109.5°
C1N1C2125.6°126.4°
C1N1C4125.7°126.4°
H1C1H1A109.5°109.5°
H1C1H1B109.4°109.5°
H1AC1H1B109.5°109.5°
F1C21C20120.0°120.0°
F1C21C22117.8°120.1°
C2N1C4108.6°107.2°
N1C2N2111.3°108.6°
N1C2H2124.3°125.7°
N1C4C3103.7°106.8°
N1C4H4128.2°126.6°
O1S1C3105.5°106.4°
O1S1N3110.3°106.4°
O1S1O2120.4°123.2°
C3S1N3108.7°107.2°
C3S1O299.2°106.4°
S1C3N2121.9°125.9°
S1C3C4126.3°126.0°
N3S1O2111.5°106.4°
S1N3C5111.7°120.0°
S1N3C19121.6°120.0°
CL1C25C20119.2°120.0°
CL1C25C24117.2°120.0°
N2C2H2124.3°125.7°
C2N2C3104.5°109.3°
N2C3C4111.9°108.0°
C18S2O3113.3°110.6°
C18S2C16108.4°104.4°
C18S2O4103.1°110.6°
S2C18H18109.5°109.5°
S2C18H18A109.5°109.4°
S2C18H18B109.4°109.5°
O3S2C16106.0°104.2°
O3S2O4121.8°121.0°
C16S2O4103.4°104.3°
S2C16C15119.3°119.9°
S2C16C17118.7°120.0°
C3C4H4128.1°126.6°
C5N3C19112.1°120.0°
N3C5C6116.1°109.5°
N3C5H5107.3°109.5°
N3C5H5A107.3°109.4°
N3C19C20115.4°109.4°
N3C19H19107.6°109.5°
N3C19H19A107.5°109.5°
C6C5H5107.3°109.5°
C6C5H5A107.4°109.5°
C5C6C11117.2°119.9°
C5C6C7123.5°119.8°
H5C5H5A111.5°109.5°
C11C6C7119.3°120.2°
C6C11C10120.0°120.2°
C6C11H11120.0°119.9°
C6C7C8120.4°120.1°
C6C7H7119.8°119.9°
C8C7H7119.8°120.0°
C7C8C9120.5°119.9°
C7C8H8119.8°120.1°
C9C8H8119.7°120.0°
C8C9C10118.6°119.7°
C8C9C12122.2°120.1°
C10C9C12119.1°120.1°
C9C10C11121.1°119.9°
C9C10H10119.5°120.0°
C9C12C17118.5°120.1°
C9C12C13122.7°120.1°
C11C10H10119.4°120.1°
C10C11H11120.0°120.0°
C17C12C13118.8°119.8°
C12C17C16119.7°119.9°
C12C17H17120.2°120.1°
C12C13C14121.0°119.9°
C12C13H13119.5°120.1°
C14C13H13119.5°120.0°
C13C14C15120.6°120.1°
C13C14H14119.7°119.9°
C15C14H14119.7°120.0°
C14C15C16117.8°120.2°
C14C15H15121.1°119.8°
C16C15H15121.1°120.0°
C15C16C17122.0°120.1°
C16C17H17120.1°120.0°
H18C18H18A109.5°109.5°
H18C18H18B109.5°109.5°
H18AC18H18B109.5°109.5°
C20C19H19107.5°109.5°
C20C19H19A107.5°109.5°
C19C20C21122.7°120.0°
C19C20C25122.0°120.0°
H19C19H19A111.3°109.5°
C21C20C25115.4°120.0°
C20C21C22122.2°119.9°
C20C25C24123.7°120.0°
C21C22C23120.6°120.0°
C21C22H22119.7°120.0°
C23C22H22119.7°120.0°
C22C23C24118.8°120.1°
C22C23H23120.6°120.0°
C24C23H23120.6°120.0°
C23C24C25119.4°120.0°
C23C24H24120.3°120.0°
C25C24H24120.3°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1H1H1A120.0°120.0°
N1C1H1H1B120.0°120.0°
N1C1H1AH1B120.0°120.0°
C1N1C2C4179.4°179.7°
C1N1C2N2179.6°180.0°
C1N1C2H20.4°0.1°
C1N1C4C3179.4°179.9°
C1N1C4H40.6°0.1°
H1C1H1AH1B120.0°120.0°
H1C1N1C2180.0°89.7°
H1C1N1C40.7°90.0°
H1AC1N1C260.0°30.3°
H1AC1N1C4119.3°150.0°
H1BC1N1C260.0°150.3°
H1BC1N1C4120.7°30.0°
F1C21C20C190.9°0.0°
F1C21C20C22179.4°180.0°
F1C21C20C25179.8°179.8°
F1C21C22C23179.8°180.0°
F1C21C22H220.2°0.0°
N1C2N2H2180.0°179.9°
N1C2N2C30.3°0.0°
C2N1C4C30.0°0.4°
C2N1C4H4180.0°179.7°
N1C4C3S1179.8°179.8°
C4N1C2N20.2°0.3°
C4N1C2H2179.8°179.8°
N1C4C3N20.2°0.4°
N1C4C3H4180.0°179.9°
O1S1C3N3118.2°113.6°
O1S1C3O2125.3°132.9°
O1S1N3O2136.5°133.0°
O1S1C3N2175.0°83.6°
O1S1C3C45.1°96.2°
O1S1N3C5171.4°23.5°
O1S1N3C1952.5°156.4°
C3S1N3O2108.3°113.5°
S1C3N2C2179.6°180.0°
S1C3N2C4180.0°179.8°
C3S1N3C573.4°90.0°
C3S1N3C1962.7°90.0°
S1C3C4H40.2°0.1°
N3S1C3N266.8°30.0°
N3S1C3C4113.2°150.3°
S1N3C5C19140.5°179.9°
S1N3C5C6138.3°94.9°
S1N3C5H518.3°145.0°
S1N3C5H5A101.6°25.0°
S1N3C19C20157.4°95.0°
S1N3C19H1982.6°145.0°
S1N3C19H19A37.4°25.0°
O2S1C3N249.7°143.5°
O2S1C3C4130.4°36.8°
O2S1N3C534.9°156.5°
O2S1N3C19171.1°23.5°
CL1C25C20C190.9°0.1°
CL1C25C20C21179.8°179.7°
CL1C25C20C24179.8°179.8°
CL1C25C24C23179.4°179.7°
CL1C25C24H240.6°0.1°
C2N2C3C40.3°0.2°
H2C2N2C3179.7°180.0°
N2C3C4H4179.8°179.7°
C18S2O3C16118.7°111.7°
C18S2O3O4123.9°131.6°
C18S2C16O4109.0°116.1°
C18S2C16C15163.3°90.0°
C18S2C16C1717.8°89.7°
S2C18H18H18A120.0°120.0°
S2C18H18H18B120.0°120.0°
S2C18H18AH18B119.9°120.0°
O3S2C16O4129.2°127.8°
O3S2C16C1541.4°154.0°
O3S2C16C17139.6°26.4°
O3S2C18H18180.0°51.6°
O3S2C18H18A60.0°68.4°
O3S2C18H18B60.0°171.6°
S2C16C17C12179.3°179.7°
S2C16C15C14179.9°180.0°
S2C16C15C17178.9°179.7°
S2C16C15H150.1°0.0°
S2C16C17H170.6°0.1°
C16S2C18H1862.7°60.0°
C16S2C18H18A57.3°180.0°
C16S2C18H18B177.3°60.0°
O4S2C16C1587.7°26.1°
O4S2C16C1791.2°154.2°
O4S2C18H1846.4°171.6°
O4S2C18H18A166.5°68.4°
O4S2C18H18B73.6°51.6°
N3C5C6H5120.0°120.0°
N3C5C6H5A120.0°119.9°
N3C5H5H5A117.3°119.9°
N3C5C6C11155.6°90.3°
N3C5C6C724.2°90.0°
C5N3C19C2066.6°85.0°
C5N3C19H1953.4°35.0°
C5N3C19H19A173.4°155.0°
C19N3C5C681.2°85.0°
C19N3C5H5158.8°35.1°
C19N3C5H5A38.8°155.0°
N3C19C20H19120.0°120.0°
N3C19C20H19A120.0°120.0°
N3C19H19H19A117.6°120.0°
N3C19C20C2198.9°89.8°
N3C19C20C2579.9°90.0°
C6C5H5H5A117.3°120.0°
C5C6C11C7179.8°179.7°
C5C6C7C8179.5°180.0°
C5C6C7H70.5°0.1°
C5C6C11C10179.9°179.8°
C5C6C11H110.1°0.0°
H5C5C6C1184.4°149.7°
H5C5C6C795.8°30.0°
H5AC5C6C1135.6°29.7°
H5AC5C6C7144.2°150.0°
C11C6C7C80.3°0.2°
C11C6C7H7179.7°179.8°
C6C11C10C90.4°0.5°
C6C11C10H11180.0°179.7°
C6C11C10H10179.6°179.7°
C6C7C8H7180.0°180.0°
C6C7C8C90.4°0.0°
C6C7C8H8179.6°180.0°
C7C6C11C100.1°0.5°
C7C6C11H11179.9°179.7°
C7C8C9H8180.0°180.0°
C7C8C9C100.1°0.0°
C7C8C9C12179.1°179.9°
H7C7C8C9179.6°180.0°
H7C7C8H80.4°0.0°
C8C9C10C12179.2°179.9°
C8C9C10C110.3°0.3°
C8C9C10H10179.6°180.0°
C8C9C12C17134.8°179.7°
C8C9C12C1345.6°0.0°
H8C8C9C10179.9°180.0°
H8C8C9C120.9°0.0°
C9C10C11H10180.0°179.7°
C9C10C11H11179.6°179.7°
C10C9C12C1744.4°0.3°
C10C9C12C13135.2°180.0°
C12C9C10C11179.6°179.8°
C12C9C10H100.4°0.1°
C9C12C17C13179.6°179.7°
C9C12C13C14179.8°180.0°
C9C12C13H130.2°0.1°
C9C12C17C16180.0°179.7°
C9C12C17H170.0°0.0°
H10C10C11H110.4°0.0°
C17C12C13C140.6°0.3°
C17C12C13H13179.4°179.8°
C12C17C16C150.4°0.7°
C12C17C16H17180.0°179.7°
C12C13C14H13180.0°180.0°
C12C13C14C150.0°0.0°
C12C13C14H14180.0°179.9°
C13C12C17C160.4°0.6°
C13C12C17H17179.7°179.7°
C13C14C15H14180.0°179.9°
C13C14C15C160.8°0.0°
C13C14C15H15179.3°180.0°
H13C13C14C15179.9°179.9°
H13C13C14H140.1°0.0°
C14C15C16H15180.0°180.0°
C14C15C16C171.0°0.4°
H14C14C15C16179.3°179.9°
H14C14C15H150.7°0.1°
C15C16C17H17179.5°179.6°
H15C15C16C17179.0°179.7°
H18C18H18AH18B120.0°120.0°
C20C19H19H19A117.5°120.1°
C19C20C21C25178.9°179.8°
C19C20C21C22178.5°180.0°
C19C20C25C24178.8°179.8°
H19C19C20C2121.1°150.3°
H19C19C20C25160.1°29.9°
H19AC19C20C21141.1°30.2°
H19AC19C20C2540.1°150.0°
C20C21C22C230.4°0.1°
C20C21C22H22179.6°180.0°
C21C20C25C240.0°0.4°
C25C20C21C220.4°0.2°
C20C25C24C230.4°0.4°
C20C25C24H24179.6°179.7°
C21C22C23H22180.0°180.0°
C21C22C23C240.0°0.1°
C21C22C23H23180.0°179.9°
C22C23C24H23180.0°180.0°
C22C23C24C250.4°0.2°
C22C23C24H24179.6°180.0°
H22C22C23C24180.0°180.0°
H22C22C23H230.0°0.1°
C23C24C25H24180.0°179.8°
H23C23C24C25179.6°179.8°
H23C23C24H240.4°0.0°

224931

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