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3Z6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C23F2sing1.40Å1.33Å
C23F1sing1.40Å1.32Å
F3C23sing1.40Å1.33Å
C9C23sing1.51Å1.54Å
C8C9doub1.38Å1.39ÅAromatic
C8H1sing1.08Å1.08Å
C10C9sing1.38Å1.40ÅAromatic
C10H2sing1.08Å1.08Å
C11C10doub1.38Å1.40ÅAromatic
F4C11sing1.35Å1.35Å
C12C7doub1.38Å1.39ÅAromatic
C12C11sing1.38Å1.39ÅAromatic
C12H3sing1.08Å1.08Å
C7C8sing1.38Å1.39ÅAromatic
C22C7sing1.51Å1.52Å
C22H4sing1.09Å1.10Å
C22H5sing1.09Å1.10Å
C21C22sing1.51Å1.54Å
O1C21doub1.21Å1.24Å
N4C15sing1.46Å1.47Å
N4C21sing1.35Å1.34Å
C15H6sing1.09Å1.10Å
C16C15sing1.54Å1.52Å
C16H7sing1.09Å1.10Å
C13C14sing1.39Å1.41ÅAromatic
C13C16sing1.51Å1.52Å
C20C13doub1.38Å1.40ÅAromatic
C20H8sing1.08Å1.08Å
C14N4sing1.40Å1.34Å
C19C14doub1.40Å1.39ÅAromatic
C19H9sing1.08Å1.08Å
C18C19sing1.38Å1.40ÅAromatic
C18H10sing1.08Å1.08Å
C17C18doub1.39Å1.40ÅAromatic
C17C20sing1.39Å1.40ÅAromatic
C5C17sing1.48Å1.40Å
C1C5sing1.47Å1.40ÅAromatic
C6C5doub1.36Å1.34ÅAromatic
C6H11sing1.08Å1.08Å
N3C6sing1.37Å1.33ÅAromatic
C25N3sing1.46Å1.48Å
C25H12sing1.09Å1.10Å
C25H13sing1.09Å1.10Å
C25H14sing1.09Å1.10Å
C2N3sing1.37Å1.32ÅAromatic
C2C1doub1.41Å1.40ÅAromatic
N1C2sing1.33Å1.34ÅAromatic
C3N1doub1.31Å1.34ÅAromatic
C3N2sing1.32Å1.36ÅAromatic
C24C3sing1.51Å1.53Å
C24H15sing1.09Å1.10Å
C24H16sing1.09Å1.10Å
C24H17sing1.09Å1.10Å
N2C4doub1.33Å1.35ÅAromatic
C4C1sing1.40Å1.39ÅAromatic
C4N5sing1.38Å1.33Å
N5H18sing0.97Å1.00Å
N5H19sing0.97Å1.00Å
C15H20sing1.09Å1.10Å
C16H21sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F2C23F1106.0°109.5°
F2C23F3112.2°109.4°
F2C23C9109.7°109.5°
F1C23F3107.8°109.5°
F1C23C9111.5°109.5°
F3C23C9109.6°109.4°
C23C9C8119.1°120.0°
C23C9C10121.4°119.9°
C9C8H1120.1°120.0°
C8C9C10119.5°120.1°
C9C8C7119.8°120.0°
H1C8C7120.1°120.0°
C9C10H2119.9°120.0°
C9C10C11120.3°119.9°
H2C10C11119.8°120.0°
C10C11F4122.0°120.0°
C10C11C12119.9°120.0°
F4C11C12118.1°120.0°
C7C12C11119.7°120.0°
C7C12H3120.1°120.0°
C12C7C8120.8°120.0°
C12C7C22119.7°119.9°
C11C12H3120.1°120.1°
C8C7C22119.5°120.0°
C7C22H4108.5°109.4°
C7C22H5108.5°109.5°
C7C22C21113.3°109.5°
H4C22H5109.5°109.5°
H4C22C21108.5°109.4°
H5C22C21108.5°109.5°
C22C21O1119.3°120.0°
C22C21N4118.9°120.0°
O1C21N4121.8°120.0°
C15N4C21119.9°125.0°
N4C15H6110.7°110.3°
N4C15C16104.7°105.2°
C15N4C14112.5°110.1°
N4C15H20110.6°110.3°
C21N4C14126.2°124.9°
H6C15C16110.6°110.3°
H6C15H20109.5°110.3°
C15C16H7111.0°110.4°
C15C16C13103.3°104.6°
C16C15H20110.6°110.3°
C15C16H21111.0°110.4°
H7C16C13111.0°110.5°
H7C16H21109.4°110.4°
C14C13C16108.9°108.6°
C14C13C20121.5°120.6°
C13C14N4109.9°111.6°
C13C14C19118.0°119.2°
C16C13C20129.6°130.8°
C13C16H21111.0°110.5°
C13C20H8119.8°120.0°
C13C20C17120.4°120.0°
H8C20C17119.8°120.0°
N4C14C19132.0°129.2°
C14C19H9119.8°119.7°
C14C19C18120.4°120.5°
H9C19C18119.8°119.8°
C19C18H10119.2°119.9°
C19C18C17121.6°120.1°
H10C18C17119.2°119.9°
C18C17C20118.1°119.5°
C18C17C5120.5°120.3°
C20C17C5121.0°120.2°
C17C5C1131.9°126.7°
C17C5C6121.3°126.8°
C1C5C6106.6°106.5°
C5C1C2106.2°106.2°
C5C1C4136.4°135.1°
C5C6H11125.2°125.2°
C5C6N3109.6°109.6°
H11C6N3125.2°125.2°
C6N3C25125.2°124.9°
C6N3C2110.4°110.3°
N3C25H12109.5°109.5°
N3C25H13109.5°109.5°
N3C25H14109.5°109.5°
C25N3C2124.4°124.8°
H12C25H13109.4°109.5°
H12C25H14109.5°109.4°
H13C25H14109.5°109.5°
N3C2C1107.1°107.4°
N3C2N1131.2°134.1°
C1C2N1121.7°118.5°
C2C1C4117.3°118.8°
C2N1C3119.8°120.8°
N1C3N2120.3°122.7°
N1C3C24118.1°118.7°
N2C3C24121.5°118.7°
C3N2C4121.8°121.0°
C3C24H15109.5°109.4°
C3C24H16109.5°109.5°
C3C24H17109.5°109.5°
H15C24H16109.5°109.5°
H15C24H17109.5°109.5°
H16C24H17109.4°109.4°
N2C4C1119.1°118.3°
N2C4N5120.5°120.8°
C1C4N5120.3°120.8°
C4N5H18109.5°120.0°
C4N5H19109.5°120.0°
H18N5H19109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F2C23F1F3120.3°120.0°
F2C23F1C9119.3°120.0°
F2C23F3C9122.1°120.0°
F2C23C9C8160.1°90.0°
F2C23C9C1019.5°90.3°
F1C23F3C9121.6°120.0°
F1C23C9C843.0°150.0°
F1C23C9C10136.6°29.7°
F3C23C9C876.3°30.0°
F3C23C9C10104.1°149.8°
C23C9C8C10179.6°179.7°
C23C9C8H10.2°0.1°
C23C9C10H20.6°0.0°
C23C9C10C11179.4°179.9°
C23C9C8C7179.8°180.0°
C9C8H1C7180.0°179.9°
C8C9C10H2179.8°179.7°
C8C9C10C110.2°0.2°
C9C8C7C121.0°0.1°
C9C8C7C22179.9°179.7°
H1C8C9C10179.8°179.9°
H1C8C7C12179.0°179.9°
H1C8C7C220.1°0.2°
C9C10H2C11180.0°179.9°
C9C10C11F4179.3°180.0°
C9C10C11C120.1°0.0°
C10C9C8C70.2°0.3°
H2C10C11F40.7°0.0°
H2C10C11C12179.9°180.0°
C10C11F4C12179.3°180.0°
C10C11C12C70.9°0.2°
C10C11C12H3179.1°180.0°
F4C11C12C7179.9°179.8°
F4C11C12H30.1°0.0°
C7C12C11H3180.0°179.8°
C12C7C8C22179.0°179.8°
C12C7C22H456.3°150.0°
C12C7C22H5175.2°30.0°
C12C7C22C2164.2°90.1°
C11C12C7C81.3°0.2°
C11C12C7C22179.7°180.0°
H3C12C7C8178.7°180.0°
H3C12C7C220.3°0.3°
C8C7C22H4122.6°30.2°
C8C7C22H53.8°150.2°
C8C7C22C21116.8°89.7°
C7C22H4H5118.2°120.0°
C7C22H4C21123.5°120.0°
C7C22H5C21123.5°120.0°
C7C22C21O186.4°0.1°
C7C22C21N493.1°180.0°
H4C22H5C21118.3°120.0°
H4C22C21O134.1°120.0°
H4C22C21N4146.4°60.1°
H5C22C21O1153.0°119.9°
H5C22C21N427.5°60.0°
C22C21O1N4179.5°179.9°
C22C21N4C154.3°179.9°
C22C21N4C14169.8°0.3°
O1C21N4C15176.2°0.0°
O1C21N4C1410.8°179.8°
C15N4C21C14165.4°179.7°
N4C15H6C16115.6°115.8°
N4C15H6H20122.2°122.1°
N4C15C16H20119.2°118.9°
N4C15C16H7127.0°118.8°
C15N4C14C132.2°0.4°
N4C15C16C138.0°0.0°
C15N4C14C19173.2°179.9°
N4C15C16H21111.0°118.9°
C21N4C15H654.8°61.0°
C21N4C15C16174.0°180.0°
C21N4C14C13168.6°179.8°
C21N4C14C196.8°0.3°
C21N4C15H2066.7°61.0°
H6C15C16H20121.5°122.1°
H6C15C16H77.8°0.1°
H6C15C16C13111.3°118.9°
H6C15N4C14112.5°119.2°
H6C15C16H21129.7°122.1°
C15C16H7C13114.3°115.2°
C15C16H7H21122.9°122.3°
C15C16C13C147.2°0.2°
C15C16C13H21119.0°118.8°
C15C16C13C20173.6°179.8°
C16C15N4C146.7°0.2°
H7C16C13C14126.2°119.0°
H7C16C13H21121.9°122.5°
H7C16C13C2054.6°61.5°
H7C16C15H20113.8°122.2°
C14C13C16C20179.2°179.5°
C14C13C20H8179.2°180.0°
C13C14N4C19175.3°179.6°
C13C14C19H9178.9°179.9°
C13C14C19C181.1°0.0°
C14C13C20C170.8°0.0°
C14C13C16H21111.9°118.6°
C16C13C20H81.7°0.5°
C16C13C14N43.4°0.4°
C16C13C14C19179.5°180.0°
C16C13C20C17178.4°179.4°
C13C16C15H20127.2°119.0°
C13C20H8C17180.0°180.0°
C20C13C14N4177.3°180.0°
C20C13C14C191.2°0.4°
C13C20C17C182.9°0.9°
C13C20C17C5175.9°179.6°
C20C13C16H2167.4°61.0°
H8C20C17C18177.1°179.1°
H8C20C17C54.1°0.5°
N4C14C19H93.9°0.6°
N4C14C19C18176.1°179.5°
C14N4C15H20125.9°118.7°
C14C19H9C18180.0°179.9°
C14C19C18H10178.9°180.0°
C14C19C18C171.1°0.9°
H9C19C18H101.1°0.0°
H9C19C18C17178.9°179.0°
C19C18H10C17180.0°179.1°
C19C18C17C203.1°1.4°
C19C18C17C5176.1°180.0°
H10C18C17C20176.9°179.6°
H10C18C17C53.9°1.0°
C18C17C20C5173.0°178.6°
C18C17C5C155.4°50.0°
C18C17C5C6118.5°129.7°
C20C17C5C1131.8°131.4°
C20C17C5C654.3°48.9°
C17C5C1C6174.6°179.7°
C17C5C6H112.9°0.0°
C17C5C6N3177.1°180.0°
C17C5C1C2176.5°180.0°
C17C5C1C45.2°0.0°
C1C5C6H11178.2°179.8°
C1C5C6N31.8°0.2°
C5C1C2N31.3°0.1°
C5C1C2C4178.7°179.9°
C5C1C2N1178.8°179.9°
C5C1C4N2178.6°179.7°
C5C1C4N51.7°0.2°
C5C6H11N3180.0°180.0°
C5C6N3C25178.8°180.0°
C5C6N3C21.0°0.1°
C6C5C1C21.9°0.2°
C6C5C1C4179.8°179.7°
H11C6N3C251.2°0.1°
H11C6N3C2179.0°179.8°
C6N3C25C2179.8°179.9°
C6N3C25H12180.0°90.0°
C6N3C25H1360.0°150.0°
C6N3C25H1460.0°30.0°
C6N3C2C10.2°0.0°
C6N3C2N1180.0°180.0°
N3C25H12H13120.0°120.0°
N3C25H12H14120.0°120.0°
N3C25H13H14120.0°120.0°
C25N3C2C1180.0°179.9°
C25N3C2N10.1°0.1°
H12C25H13H14120.0°119.9°
H12C25N3C20.2°90.2°
H13C25N3C2120.2°29.8°
H14C25N3C2119.8°149.8°
N3C2C1N1179.9°180.0°
N3C2N1C3179.6°180.0°
N3C2C1C4180.0°179.8°
C1C2N1C30.2°0.1°
C2C1C4N20.4°0.4°
C2C1C4N5179.9°179.9°
C2N1C3N20.3°0.1°
C2N1C3C24179.9°180.0°
N1C2C1C40.1°0.2°
N1C3N2C24179.8°180.0°
N1C3C24H150.0°90.1°
N1C3C24H16120.0°149.9°
N1C3C24H17120.0°30.0°
N1C3N2C40.0°0.2°
N2C3C24H15179.8°90.0°
N2C3C24H1659.8°30.0°
N2C3C24H1760.2°150.0°
C3N2C4C10.4°0.4°
C3N2C4N5179.9°179.9°
C3C24H15H16120.0°120.0°
C3C24H15H17120.0°120.0°
C3C24H16H17120.0°120.0°
C24C3N2C4179.8°179.8°
H15C24H16H17120.0°120.1°
N2C4C1N5179.7°179.5°
N2C4N5H180.0°0.1°
N2C4N5H19120.0°180.0°
C1C4N5H18179.7°179.6°
C1C4N5H1960.3°0.5°
C4N5H18H19120.0°180.0°
H20C15C16H218.2°0.0°

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