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A1EY6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12C11doub1.38Å1.38ÅAromatic
C12C13sing1.38Å1.39ÅAromatic
C11C10sing1.38Å1.39ÅAromatic
C13C14doub1.38Å1.39ÅAromatic
C10F27sing1.35Å1.36Å
C10C9doub1.40Å1.38ÅAromatic
C14C9sing1.39Å1.38ÅAromatic
C9C2sing1.48Å1.52Å
C30C31sing1.54Å1.59Å
C30N29sing1.48Å1.58Å
C2C1doub1.39Å1.39ÅAromatic
C2C3sing1.39Å1.38ÅAromatic
C31C25sing1.55Å1.31Å
N29C28sing1.49Å1.33Å
C1C6sing1.38Å1.40ÅAromatic
C28C25sing1.55Å1.68Å
C3C4doub1.38Å1.40ÅAromatic
O26C24doub1.21Å1.18Å
C25C24sing1.51Å1.55Å
C6C5doub1.38Å1.38ÅAromatic
C24N23sing1.35Å1.45Å
C4C5sing1.38Å1.38ÅAromatic
C5C7sing1.51Å1.54Å
N23C22sing1.46Å1.45Å
C22C20sing1.51Å1.53Å
N19C20sing1.35Å1.45Å
N19C7sing1.47Å1.45Å
C20O21doub1.21Å1.19Å
C7C8sing1.51Å1.52Å
C18C8doub1.33Å1.40ÅAromatic
C18C17sing1.38Å1.43ÅAromatic
C8S15sing1.76Å1.71ÅAromatic
C17C16doub1.33Å1.42ÅAromatic
S15C16sing1.76Å1.69ÅAromatic
C4H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C7H3sing1.09Å1.10Å
C13H4sing1.08Å1.08Å
C17H5sing1.08Å1.08Å
C22H6sing1.09Å1.10Å
C22H7sing1.09Å1.10Å
C28H8sing1.09Å1.10Å
C28H9sing1.09Å1.10Å
C1H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C14H13sing1.08Å1.08Å
C16H14sing1.08Å1.08Å
C18H15sing1.08Å1.08Å
C25H16sing1.09Å1.10Å
C3H17sing1.08Å1.08Å
C30H18sing1.09Å1.10Å
C30H19sing1.09Å1.10Å
C31H20sing1.09Å1.10Å
C31H21sing1.09Å1.10Å
N19H22sing0.97Å1.00Å
N23H23sing0.97Å1.00Å
N29H24sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C12C13119.5°120.3°
C12C11C10119.5°120.1°
C12C11H11120.3°119.9°
C11C12H12120.2°119.9°
C12C13C14121.0°120.2°
C12C13H4119.5°119.9°
C13C12H12120.2°119.8°
C11C10F27119.3°120.1°
C11C10C9120.5°119.8°
C10C11H11120.2°120.0°
C13C14C9119.2°119.9°
C14C13H4119.5°119.9°
C13C14H13120.4°120.1°
F27C10C9120.2°120.1°
C10C9C14120.3°119.7°
C10C9C2119.7°120.1°
C14C9C2120.1°120.2°
C9C14H13120.4°120.0°
C9C2C1119.6°120.1°
C9C2C3119.3°120.1°
C31C30N29105.6°107.1°
C30C31C25102.2°105.2°
C31C30H18110.4°109.9°
C31C30H19110.4°109.9°
C30C31H20111.3°110.3°
C30C31H21111.3°110.3°
C30N29C28105.8°105.8°
N29C30H18110.4°109.9°
N29C30H19110.4°109.9°
C30N29H24110.4°111.0°
C1C2C3121.0°119.8°
C2C1C6119.0°119.9°
C2C1H10120.5°120.1°
C2C3C4119.6°119.9°
C2C3H17120.2°120.1°
C31C25C28105.4°102.9°
C31C25C24112.9°110.7°
C31C25H16112.6°110.8°
C25C31H20111.3°110.3°
C25C31H21111.3°110.3°
N29C28C25105.5°103.2°
N29C28H8110.5°110.6°
N29C28H9110.5°110.8°
C28N29H24110.4°111.0°
C1C6C5120.0°120.1°
C1C6H2120.0°120.0°
C6C1H10120.5°120.0°
C28C25C24109.5°110.7°
C25C28H8110.5°110.7°
C25C28H9110.5°110.7°
C28C25H16107.4°110.7°
C3C4C5119.5°120.1°
C3C4H1120.3°120.0°
C4C3H17120.2°120.0°
O26C24C25121.3°120.0°
O26C24N23120.2°120.0°
C25C24N23118.5°120.0°
C24C25H16108.9°110.6°
C6C5C4120.9°120.2°
C6C5C7120.1°119.9°
C5C6H2120.0°119.9°
C24N23C22118.5°120.0°
C24N23H23120.7°120.0°
C4C5C7119.0°119.9°
C5C4H1120.3°119.9°
C5C7N19108.7°109.5°
C5C7C8112.7°109.5°
C5C7H3109.5°109.5°
N23C22C20107.7°109.5°
N23C22H6109.9°109.5°
N23C22H7109.9°109.5°
C22N23H23120.7°120.0°
C22C20N19118.7°120.0°
C22C20O21120.2°120.0°
C20C22H6109.9°109.5°
C20C22H7109.9°109.4°
C20N19C7121.7°120.0°
N19C20O21121.1°120.0°
C20N19H22119.2°119.9°
N19C7C8105.1°109.4°
N19C7H3110.8°109.5°
C7N19H22119.2°120.0°
C7C8C18127.5°125.2°
C7C8S15125.3°125.2°
C8C7H3109.8°109.5°
C8C18C17113.8°114.9°
C18C8S15107.2°109.6°
C8C18H15123.1°122.6°
C18C17C16114.0°114.9°
C18C17H5123.0°122.6°
C17C18H15123.1°122.5°
C8S15C1698.0°91.0°
C17C16S15107.0°109.6°
C16C17H5123.0°122.6°
C17C16H14126.5°125.2°
S15C16H14126.5°125.2°
H6C22H7109.5°109.4°
H8C28H9109.5°110.6°
H18C30H19109.5°110.0°
H20C31H21109.5°110.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C12C13H12180.0°179.9°
C12C11C10H11180.0°179.9°
C11C12C13C140.2°0.2°
C12C11C10F27179.4°180.0°
C12C11C10C90.5°0.4°
C11C12C13H4179.8°180.0°
C13C12C11C100.1°0.1°
C12C13C14H4180.0°179.8°
C12C13C14C90.1°0.2°
C13C12C11H11179.9°180.0°
C12C13C14H13179.9°179.8°
C11C10F27C9179.9°179.6°
C11C10C9C140.6°0.4°
C11C10C9C2179.4°179.7°
C10C11C12H12179.9°180.0°
C13C14C9C100.3°0.1°
C13C14C9H13180.0°180.0°
C13C14C9C2179.1°180.0°
C14C13C12H12179.8°179.7°
F27C10C9C14179.3°180.0°
F27C10C9C20.5°0.1°
F27C10C11H110.6°0.1°
C10C9C14C2178.8°179.9°
C10C9C2C1120.6°129.9°
C10C9C2C358.9°49.8°
C9C10C11H11179.5°179.7°
C10C9C14H13179.7°179.9°
C14C9C2C158.2°50.0°
C14C9C2C3122.3°130.3°
C9C14C13H4179.9°180.0°
C9C2C1C3179.5°179.8°
C9C2C1C6179.4°180.0°
C9C2C3C4179.9°179.7°
C9C2C1H100.6°0.0°
C2C9C14H130.9°0.0°
C9C2C3H170.1°0.2°
C31C30N29H18119.4°119.4°
C31C30N29H19119.4°119.4°
C30C31C25H20118.8°118.9°
C30C31C25H21118.8°118.9°
C31C30N29C281.8°25.3°
C30C31C25C2837.3°22.0°
C30C31C25C24156.7°140.3°
C30C31C25H1679.5°96.5°
C31C30H18H19121.8°121.2°
C30C31H20H21123.4°122.1°
C31C30N29H24117.6°145.8°
N29C30C31C2527.3°1.2°
C30N29C28H24119.4°120.5°
C30N29C28C2518.8°39.2°
C30N29C28H8100.6°157.6°
C30N29C28H9138.2°79.3°
N29C30H18H19121.8°121.2°
N29C30C31H20146.1°120.2°
N29C30C31H2191.6°117.7°
C2C1C6H10180.0°179.9°
C1C2C3C40.3°0.5°
C2C1C6C50.8°0.0°
C2C1C6H2179.2°179.9°
C1C2C3H17179.6°179.9°
C3C2C1C60.1°0.3°
C2C3C4H17180.0°179.5°
C2C3C4C50.1°0.5°
C2C3C4H1179.9°179.7°
C3C2C1H10179.9°179.8°
C31C25C28N2939.5°37.4°
C31C25C28C24121.6°118.4°
C31C25C28H16120.2°118.5°
C31C25C24O2648.7°5.0°
C31C25C24H16125.8°123.3°
C31C25C24N23131.8°174.9°
C31C25C28H879.9°155.8°
C31C25C28H9158.9°81.2°
C25C31C30H18146.7°118.1°
C25C31C30H1992.1°120.6°
C25C31H20H21123.4°122.1°
N29C28C25H8119.4°118.4°
N29C28C25H9119.4°118.6°
N29C28C25C24161.2°155.8°
N29C28H8H9121.8°123.2°
N29C28C25H1680.7°81.1°
C28N29C30H18121.1°94.0°
C28N29C30H19117.6°144.7°
C1C6C5H2180.0°180.0°
C1C6C5C41.0°0.0°
C1C6C5C7179.5°180.0°
C28C25C24O2668.3°118.5°
C28C25C24H16117.2°123.2°
C28C25C24N23111.1°61.4°
C25C28H8H9121.8°123.0°
C28C25C31H20156.1°97.0°
C28C25C31H2181.5°140.9°
C25C28N29H24138.2°159.7°
C3C4C5C60.5°0.2°
C3C4C5H1180.0°179.8°
C3C4C5C7179.0°179.8°
O26C24C25N23179.4°180.0°
O26C24N23C220.1°0.0°
O26C24C25H16174.5°118.3°
O26C24N23H23179.9°180.0°
C25C24N23C22179.3°180.0°
C24C25C28H841.8°85.8°
C24C25C28H979.4°37.2°
C24C25C31H2084.5°21.4°
C24C25C31H2137.9°100.7°
C25C24N23H230.7°0.1°
C6C5C4C7178.5°180.0°
C6C5C7N1927.6°40.0°
C6C5C7C888.6°80.0°
C6C5C4H1179.5°180.0°
C6C5C7H3148.8°160.0°
C5C6C1H10179.2°180.0°
C24N23C22H23180.0°179.9°
C24N23C22C2072.6°180.0°
C24N23C22H6167.6°60.0°
C24N23C22H747.1°60.0°
N23C24C25H166.1°61.7°
C4C5C7N19150.9°140.0°
C4C5C7C892.9°100.0°
C4C5C6H2179.0°180.0°
C4C5C7H329.7°20.0°
C5C4C3H17179.9°179.9°
C5C7N19C20109.0°155.0°
C5C7N19C8121.0°120.0°
C5C7N19H3120.4°120.1°
C5C7C8H3122.4°120.1°
C5C7C8C1822.2°100.3°
C5C7C8S15160.0°80.0°
C7C5C4H11.0°0.0°
C7C5C6H20.5°0.0°
C5C7N19H2271.0°24.9°
N23C22C20H6119.7°120.0°
N23C22C20H7119.7°120.1°
N23C22C20N19149.6°180.0°
N23C22C20O2129.9°0.0°
N23C22H6H7120.8°120.0°
C22C20N19O21179.5°180.0°
C22C20N19C7179.3°180.0°
C20C22H6H7120.8°120.0°
C22C20N19H220.7°0.0°
C20C22N23H23107.4°0.1°
C20N19C7H22180.0°179.9°
C20N19C7C8130.1°85.0°
C20N19C7H311.4°34.9°
N19C20C22H690.6°60.0°
N19C20C22H729.9°60.0°
C7N19C20O211.2°0.0°
N19C7C8H3119.3°119.9°
N19C7C8C1896.1°139.7°
N19C7C8S1581.7°40.0°
O21C20C22H689.9°120.0°
O21C20C22H7149.6°120.1°
O21C20N19H22178.8°179.9°
C7C8C18S15178.1°179.8°
C7C8C18C17178.6°180.0°
C7C8S15C16178.8°180.0°
C7C8C18H151.5°0.1°
C8C7N19H2249.9°95.1°
C8C18C17H15180.0°180.0°
C8C18C17C160.1°0.0°
C18C8S15C160.7°0.2°
C18C8C7H3144.6°19.8°
C8C18C17H5179.9°179.8°
C17C18C8S150.5°0.2°
C18C17C16H5180.0°179.8°
C18C17C16S150.4°0.1°
C18C17C16H14179.5°180.0°
C8S15C16C170.6°0.2°
S15C8C7H337.6°160.0°
C8S15C16H14179.3°179.9°
S15C8C18H15179.5°179.9°
C17C16S15H14180.0°179.9°
C16C17C18H15180.0°180.0°
S15C16C17H5179.6°180.0°
H1C4C3H170.1°0.2°
H2C6C1H100.8°0.0°
H3C7N19H22168.6°145.0°
H4C13C12H120.2°0.1°
H4C13C14H130.1°0.0°
H5C17C16H140.4°0.1°
H5C17C18H150.0°0.2°
H6C22N23H2312.4°120.1°
H7C22N23H23132.9°119.9°
H8C28C25H16159.9°37.3°
H8C28N29H2418.8°81.9°
H9C28C25H1638.7°160.3°
H9C28N29H24102.4°41.2°
H11C11C12H120.1°0.1°
H16C25C31H2039.3°144.6°
H16C25C31H21161.7°22.5°
H18C30C31H2094.5°0.8°
H18C30C31H2127.8°122.9°
H18C30N29H241.7°26.5°
H19C30C31H2026.7°120.4°
H19C30C31H21149.0°1.7°
H19C30N29H24123.0°94.8°

251174

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