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A1H8B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
FC14sing1.35Å1.36Å
C14C13doub1.39Å1.38ÅAromatic
C14C15sing1.38Å1.38ÅAromatic
C13C12sing1.38Å1.39ÅAromatic
C15C16doub1.40Å1.39ÅAromatic
C12C11doub1.38Å1.39ÅAromatic
N4C25sing1.39Å1.34Å
C16C11sing1.40Å1.38ÅAromatic
C16C17sing1.48Å1.48Å
C11C9sing1.50Å1.51Å
C25C24doub1.40Å1.43ÅAromatic
C25N3sing1.32Å1.36ÅAromatic
C8C7sing1.55Å1.52Å
C8C9sing1.54Å1.55Å
C24C23sing1.38Å1.39ÅAromatic
N3C21doub1.33Å1.35ÅAromatic
C7Nsing1.47Å1.47Å
C17O1doub1.21Å1.22Å
C17N1sing1.35Å1.36Å
C23C22doub1.39Å1.39ÅAromatic
F1C2sing1.35Å1.36Å
C9N1sing1.46Å1.48Å
C9C10sing1.51Å1.55Å
C3C2doub1.38Å1.37ÅAromatic
C3C4sing1.38Å1.39ÅAromatic
C21C22sing1.41Å1.39ÅAromatic
C21C20sing1.46Å1.43ÅAromatic
C22N2sing1.38Å1.38ÅAromatic
C2C1sing1.38Å1.37ÅAromatic
N1C18sing1.47Å1.45Å
C20C19doub1.34Å1.38ÅAromatic
C4C5doub1.38Å1.39ÅAromatic
N2C19sing1.37Å1.37ÅAromatic
C19C18sing1.51Å1.49Å
NC10sing1.35Å1.34Å
NC6sing1.46Å1.46Å
C10Odoub1.21Å1.22Å
C1Cdoub1.38Å1.39ÅAromatic
C5Csing1.38Å1.39ÅAromatic
C5C6sing1.51Å1.51Å
C1H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C12H7sing1.08Å1.08Å
C13H8sing1.08Å1.08Å
C15H9sing1.08Å1.08Å
C20H10sing1.08Å1.08Å
C24H11sing1.08Å1.08Å
C4H12sing1.08Å1.08Å
CH13sing1.08Å1.08Å
C6H14sing1.09Å1.10Å
C6H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
N2H18sing0.97Å1.00Å
C23H19sing1.08Å1.08Å
N4H20sing0.97Å1.00Å
N4H21sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
FC14C13118.4°119.9°
FC14C15118.1°119.9°
C13C14C15123.5°120.3°
C14C13C12118.4°120.1°
C14C13H8120.8°119.9°
C14C15C16117.1°119.9°
C14C15H9121.4°120.1°
C13C12C11120.0°120.1°
C13C12H7120.0°119.9°
C12C13H8120.8°119.9°
C15C16C11121.0°119.4°
C15C16C17130.0°132.3°
C16C15H9121.5°120.0°
C12C11C16120.1°120.2°
C12C11C9130.4°133.7°
C11C12H7120.0°120.0°
N4C25C24121.0°119.5°
N4C25N3116.5°119.5°
C25N4H20109.5°120.0°
C25N4H21109.5°120.0°
C11C16C17109.0°108.3°
C16C11C9109.5°106.0°
C16C17O1128.4°124.9°
C16C17N1106.4°110.2°
C11C9C8113.5°110.9°
C11C9N1101.6°107.1°
C11C9C10111.5°111.5°
C24C25N3122.5°121.1°
C25C24C23119.6°119.6°
C25C24H11120.2°120.2°
C25N3C21117.1°121.3°
C7C8C9104.5°101.6°
C8C7N103.4°105.5°
C8C7H3111.0°110.3°
C8C7H4111.0°110.3°
C7C8H5110.7°111.0°
C7C8H6110.7°111.0°
C8C9N1115.7°110.9°
C8C9C10103.0°104.9°
C9C8H5110.7°111.0°
C9C8H6110.7°111.0°
C24C23C22116.8°118.4°
C23C24H11120.2°120.2°
C24C23H19121.6°120.8°
N3C21C22122.4°120.5°
N3C21C20129.7°133.7°
C7NC10114.5°111.2°
C7NC6121.9°124.4°
NC7H3111.0°110.2°
NC7H4110.9°110.2°
O1C17N1125.2°124.9°
C17N1C9113.4°108.4°
C17N1C18122.8°125.8°
C23C22C21121.5°119.1°
C23C22N2132.3°133.6°
C22C23H19121.6°120.8°
F1C2C3118.6°120.0°
F1C2C1118.5°120.0°
N1C9C10111.8°111.6°
C9N1C18123.6°125.8°
C9C10N107.7°109.9°
C9C10O126.2°125.1°
C2C3C4118.2°119.9°
C3C2C1122.8°120.0°
C2C3H2120.9°120.0°
C3C4C5121.1°120.0°
C4C3H2120.9°120.0°
C3C4H12119.5°120.0°
C22C21C20107.8°105.9°
C21C22N2106.2°107.3°
C21C20C19107.2°107.1°
C21C20H10126.4°126.4°
C22N2C19111.2°109.8°
C22N2H18124.4°125.1°
C2C1C118.2°120.0°
C2C1H1120.9°120.0°
N1C18C19114.3°109.5°
N1C18H16108.2°109.4°
N1C18H17108.3°109.5°
C20C19N2107.5°109.9°
C20C19C18131.1°125.0°
C19C20H10126.4°126.5°
C4C5C118.5°120.1°
C4C5C6120.9°119.9°
C5C4H12119.4°120.0°
N2C19C18121.3°125.1°
C19N2H18124.4°125.1°
C19C18H16108.3°109.4°
C19C18H17108.3°109.5°
C10NC6123.6°124.4°
NC10O126.1°125.0°
NC6C5113.5°109.5°
NC6H14108.5°109.5°
NC6H15108.4°109.5°
C1CC5121.1°120.0°
CC1H1120.9°120.0°
C1CH13119.5°120.0°
CC5C6120.6°120.0°
C5CH13119.4°120.0°
C5C6H14108.4°109.4°
C5C6H15108.5°109.5°
H3C7H4109.4°110.2°
H5C8H6109.4°110.8°
H14C6H15109.5°109.5°
H16C18H17109.4°109.5°
H20N4H21109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
FC14C13C15179.9°179.9°
FC14C13C12179.9°179.9°
FC14C15C16180.0°179.9°
FC14C13H80.1°0.2°
FC14C15H90.0°0.2°
C14C13C12H8180.0°179.9°
C13C14C15C160.1°0.0°
C14C13C12C110.4°0.0°
C14C13C12H7179.6°180.0°
C13C14C15H9179.9°179.9°
C15C14C13C120.0°0.0°
C14C15C16H9180.0°179.9°
C14C15C16C110.7°0.0°
C14C15C16C17179.9°180.0°
C15C14C13H8180.0°179.9°
C13C12C11H7180.0°179.9°
C13C12C11C161.0°0.0°
C13C12C11C9178.9°179.9°
C15C16C11C121.1°0.0°
C15C16C11C17179.6°180.0°
C15C16C11C9179.4°179.9°
C15C16C17O10.1°0.0°
C15C16C17N1179.0°180.0°
C12C11C16C9178.3°179.9°
C12C11C16C17179.3°180.0°
C12C11C9C853.4°58.9°
C12C11C9N1178.3°180.0°
C12C11C9C1062.4°57.6°
C11C12C13H8179.6°179.9°
N4C25C24N3179.8°179.3°
N4C25C24C23179.9°180.0°
N4C25N3C21179.9°179.7°
N4C25C24H110.1°0.5°
C25N4H20H21120.0°180.0°
C16C11C9C8124.7°121.0°
C11C16C17O1179.6°180.0°
C11C16C17N11.5°0.0°
C16C11C9N10.3°0.1°
C16C11C9C10119.5°122.5°
C16C11C12H7179.0°180.0°
C11C16C15H9179.3°179.9°
C17C16C11C91.0°0.1°
C16C17O1N1178.8°180.0°
C16C17N1C91.3°0.1°
C16C17N1C18177.1°179.9°
C17C16C15H90.1°0.1°
C11C9C8C796.0°96.4°
C11C9C8N1117.0°118.8°
C11C9C8C10120.7°120.5°
C11C9N1C170.7°0.1°
C11C9N1C10119.0°122.3°
C11C9N1C18176.4°179.9°
C11C9C10N106.7°104.4°
C11C9C10O74.8°75.6°
C11C9C8H523.3°21.7°
C11C9C8H6144.8°145.5°
C9C11C12H71.1°0.1°
C25C24C23H11180.0°179.5°
C24C25N3C210.0°0.5°
C25C24C23C220.0°0.5°
C25C24C23H19180.0°179.5°
C24C25N4H20179.8°0.0°
C24C25N4H2159.8°180.0°
N3C25C24C230.1°0.7°
C25N3C21C220.0°0.0°
C25N3C21C20179.9°179.7°
N3C25C24H11179.9°179.7°
N3C25N4H200.0°179.3°
N3C25N4H21120.0°0.8°
C7C8C9H5119.2°118.1°
C7C8C9H6119.2°118.1°
C8C7NH3119.0°119.0°
C8C7NH4119.0°119.1°
C7C8C9N1147.1°144.8°
C7C8C9C1024.7°24.1°
C8C7NC1016.7°16.8°
C8C7NC6162.8°163.1°
C8C7H3H4122.8°122.0°
C7C8H5H6122.3°123.9°
C9C8C7N25.1°24.8°
C8C9N1C17124.2°121.0°
C8C9N1C10117.5°116.6°
C8C9N1C1860.1°59.0°
C8C9C10N15.4°15.7°
C8C9C10O163.1°164.3°
C9C8C7H3144.1°143.8°
C9C8C7H493.9°94.2°
C9C8H5H6122.3°123.8°
C24C23C22H19180.0°179.9°
C24C23C22C210.1°0.0°
C24C23C22N2179.7°179.6°
N3C21C22C230.1°0.2°
N3C21C22C20179.9°179.8°
N3C21C22N2179.8°180.0°
N3C21C20C19179.3°179.7°
N3C21C20H100.6°0.3°
C7NC10C90.7°0.7°
C7NC10C6179.5°179.9°
C7NC10O179.2°179.3°
C7NC6C569.1°90.0°
NC7H3H4122.8°121.8°
NC7C8H5144.3°142.9°
NC7C8H694.1°93.4°
C7NC6H14170.3°29.9°
C7NC6H1551.5°150.0°
O1C17N1C9179.7°179.9°
O1C17N1C183.9°0.0°
C17N1C9C18175.7°180.0°
C17N1C9C10118.3°122.4°
C17N1C18C1985.2°90.1°
C17N1C18H16154.1°150.0°
C17N1C18H1735.5°30.0°
C23C22C21N2179.8°179.7°
C23C22C21C20180.0°180.0°
C23C22N2C19179.1°179.9°
C22C23C24H11180.0°180.0°
C23C22N2H180.9°0.3°
F1C2C3C1179.8°179.9°
F1C2C3C4179.9°180.0°
F1C2C1C179.9°180.0°
F1C2C1H10.1°0.3°
F1C2C3H20.1°0.1°
C9N1C18C1999.5°90.0°
N1C9C10N140.3°135.8°
N1C9C10O38.2°44.1°
N1C9C8H593.7°97.1°
N1C9C8H627.8°26.7°
C9N1C18H1621.3°30.0°
C9N1C18H17139.8°150.0°
C10C9N1C1857.4°57.6°
C9C10NO178.5°180.0°
C9C10NC6178.8°179.2°
C10C9C8H5144.0°142.3°
C10C9C8H694.5°94.0°
C2C3C4H2180.0°180.0°
C2C3C4C50.1°0.0°
C3C2C1C0.1°0.0°
C3C2C1H1179.9°179.7°
C2C3C4H12179.9°179.9°
C4C3C2C10.1°0.0°
C3C4C5H12180.0°180.0°
C3C4C5C0.1°0.1°
C3C4C5C6179.9°180.0°
C22C21C20C190.8°0.0°
C21C22N2C191.0°0.4°
C22C21C20H10179.2°180.0°
C21C22N2H18178.9°180.0°
C21C22C23H19179.9°180.0°
C20C21C22N20.1°0.3°
C21C20C19H10180.0°180.0°
C21C20C19N21.4°0.3°
C21C20C19C18177.8°180.0°
C22N2C19C201.6°0.4°
C22N2C19H18180.0°179.6°
C22N2C19C18178.4°179.8°
N2C22C23H190.3°0.3°
C2C1CH1180.0°179.7°
C2C1CC50.1°0.1°
C1C2C3H2179.9°180.0°
C2C1CH13179.9°179.8°
N1C18C19C2085.9°95.0°
N1C18C19N298.1°84.7°
N1C18C19H16120.7°119.9°
N1C18C19H17120.7°120.0°
N1C18H16H17117.8°120.0°
C20C19N2C18176.8°179.8°
C20C19C18H16153.4°145.0°
C20C19C18H1734.9°25.0°
C20C19N2H18178.4°180.0°
C4C5C6N34.4°90.0°
C4C5CC10.1°0.1°
C4C5CC6179.8°179.9°
C5C4C3H2179.9°180.0°
C4C5CH13179.9°179.7°
C4C5C6H1486.3°150.0°
C4C5C6H15154.9°30.0°
N2C19C20H10178.6°179.7°
N2C19C18H1622.6°35.2°
N2C19C18H17141.1°155.3°
C18C19C20H102.2°0.0°
C19C18H16H17117.8°120.1°
C18C19N2H181.6°0.2°
C10NC6C5111.4°90.0°
C10NC7H3135.8°135.8°
C10NC7H4102.3°102.3°
C10NC6H149.1°150.0°
C10NC6H15128.0°30.0°
C6NC10O0.3°0.8°
NC6C5C145.9°89.9°
NC6C5H14120.6°120.0°
NC6C5H15120.6°120.0°
C6NC7H343.7°44.1°
C6NC7H478.2°77.8°
NC6H14H15118.2°120.1°
C1CC5H13180.0°179.8°
C1CC5C6179.9°180.0°
C5CC1H1179.9°179.8°
CC5C4H12179.9°179.9°
CC5C6H1493.5°30.1°
CC5C6H1525.3°150.0°
C6C5C4H120.1°0.0°
C6C5CH130.1°0.2°
C5C6H14H15118.2°120.0°
H1C1CH130.2°0.0°
H2C3C4H120.1°0.0°
H3C7C8H596.7°98.1°
H3C7C8H624.9°25.7°
H4C7C8H525.3°23.9°
H4C7C8H6146.9°147.7°
H7C12C13H80.4°0.1°
H11C24C23H190.0°0.0°

225946

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