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9V8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F35C32sing1.40Å1.34Å
F34C32sing1.40Å1.34Å
C32F33sing1.40Å1.33Å
C32C16sing1.51Å1.50Å
F37C36sing1.40Å1.33Å
C17C16doub1.38Å1.39ÅAromatic
C17C18sing1.38Å1.39ÅAromatic
C16C20sing1.38Å1.39ÅAromatic
C36F38sing1.40Å1.33Å
C36C18sing1.51Å1.50Å
C36F39sing1.40Å1.33Å
C18C19doub1.38Å1.39ÅAromatic
C20C15doub1.38Å1.39ÅAromatic
C19C15sing1.38Å1.39ÅAromatic
C15C14sing1.51Å1.51Å
C14O13sing1.45Å1.46Å
O13C11sing1.35Å1.35Å
N30N29sing1.40Å1.31ÅAromatic
N30N31doub1.29Å1.35ÅAromatic
N29C28sing1.37Å1.38ÅAromatic
C2N3sing1.48Å1.47Å
C2C1sing1.54Å1.53Å
C11N3sing1.35Å1.35Å
C11O12doub1.21Å1.21Å
N31C27sing1.35Å1.36ÅAromatic
C28C25doub1.39Å1.40ÅAromatic
C28C27sing1.41Å1.39ÅAromatic
C25C24sing1.36Å1.39ÅAromatic
N3C4sing1.48Å1.47Å
C27C26doub1.40Å1.39ÅAromatic
C1C6sing1.57Å1.51Å
C1C5sing1.54Å1.50Å
C24C22doub1.40Å1.40ÅAromatic
C26C22sing1.39Å1.40ÅAromatic
C22C21sing1.48Å1.50Å
C6C5sing1.53Å1.51Å
C6C7sing1.53Å1.52Å
C4C5sing1.54Å1.53Å
C21N10sing1.35Å1.34Å
C21O23doub1.22Å1.23Å
N10C7sing1.46Å1.46Å
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C17H7sing1.08Å1.08Å
C20H8sing1.08Å1.08Å
C24H9sing1.08Å1.08Å
C26H10sing1.08Å1.08Å
C1H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C19H14sing1.08Å1.08Å
C2H15sing1.09Å1.10Å
C2H16sing1.09Å1.10Å
C25H17sing1.08Å1.08Å
N10H18sing0.97Å1.00Å
N29H19sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F35C32F34105.0°109.5°
F35C32F33106.5°109.5°
F35C32C16113.0°109.4°
F34C32F33106.7°109.5°
F34C32C16112.6°109.5°
F33C32C16112.4°109.5°
C32C16C17119.9°120.0°
C32C16C20120.1°120.0°
F37C36F38105.4°109.5°
F37C36C18112.8°109.5°
F37C36F39106.1°109.5°
C16C17C18119.7°120.0°
C17C16C20120.0°120.0°
C16C17H7120.1°120.0°
C17C18C36119.9°120.0°
C17C18C19119.9°120.0°
C18C17H7120.1°120.0°
C16C20C15120.7°120.0°
C16C20H8119.7°120.0°
F38C36C18112.6°109.5°
F38C36F39106.4°109.5°
C18C36F39112.9°109.5°
C36C18C19120.0°120.0°
C18C19C15120.7°120.0°
C18C19H14119.6°120.0°
C20C15C19118.9°120.0°
C20C15C14120.4°120.0°
C15C20H8119.6°120.0°
C19C15C14120.7°120.0°
C15C19H14119.6°120.0°
C15C14O13110.9°109.5°
C15C14H12109.1°109.5°
C15C14H13109.1°109.4°
C14O13C11117.1°117.0°
O13C14H12109.1°109.5°
O13C14H13109.2°109.5°
O13C11N3111.8°120.0°
O13C11O12124.4°120.0°
N29N30N31108.5°109.5°
N30N29C28108.3°106.7°
N30N29H19125.9°126.6°
N30N31C27110.7°110.1°
N29C28C25131.7°133.7°
N29C28C27108.3°106.1°
C28N29H19125.8°126.7°
N3C2C1104.7°104.8°
C2N3C11124.5°127.8°
C2N3C4113.3°104.4°
N3C2H15110.6°110.4°
N3C2H16110.6°110.5°
C2C1C6116.8°118.4°
C2C1C5108.0°105.0°
C2C1H11118.9°118.2°
C1C2H15110.6°110.0°
C1C2H16110.6°110.5°
N3C11O12123.8°120.0°
C11N3C4122.2°127.8°
N31C27C28104.1°107.6°
N31C27C26134.8°133.0°
C25C28C27119.8°120.2°
C28C25C24119.4°120.2°
C28C25H17120.3°119.9°
C28C27C26121.1°119.4°
C25C24C22120.9°120.4°
C25C24H9119.5°119.7°
C24C25H17120.3°119.9°
N3C4C5104.5°104.6°
N3C4H1110.7°110.4°
N3C4H2110.7°110.4°
C27C26C22119.2°119.6°
C27C26H10120.4°120.2°
C6C1C560.1°58.8°
C1C6C559.8°59.7°
C1C6C7118.4°117.0°
C1C6H4116.7°118.5°
C6C1H11119.3°119.5°
C1C5C660.1°61.5°
C1C5C4107.9°104.9°
C1C5H3117.5°121.8°
C5C1H11119.4°122.1°
C24C22C26119.5°120.3°
C24C22C21122.1°119.8°
C22C24H9119.5°119.8°
C26C22C21118.4°119.9°
C22C26H10120.4°120.2°
C22C21N10117.4°120.0°
C22C21O23120.7°120.0°
C5C6C7116.7°117.4°
C6C5C4122.5°118.1°
C6C5H3117.4°119.6°
C5C6H4116.7°117.4°
C6C7N10114.1°109.5°
C7C6H4116.5°115.5°
C6C7H5108.3°109.5°
C6C7H6108.3°109.5°
C5C4H1110.7°110.4°
C5C4H2110.7°110.4°
C4C5H3117.0°117.6°
N10C21O23121.8°120.0°
C21N10C7122.3°120.0°
C21N10H18118.8°120.0°
N10C7H5108.3°109.5°
N10C7H6108.3°109.5°
C7N10H18118.9°120.0°
H1C4H2109.5°110.4°
H5C7H6109.5°109.4°
H12C14H13109.5°109.5°
H15C2H16109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F35C32F34F33112.8°120.0°
F35C32F34C16123.4°120.0°
F35C32F33C16124.4°120.0°
F35C32C16C178.2°120.0°
F35C32C16C20173.1°60.0°
F34C32F33C16123.8°120.0°
F34C32C16C17110.6°120.0°
F34C32C16C2068.1°60.0°
F33C32C16C17128.9°0.0°
F33C32C16C2052.4°180.0°
C32C16C17C20178.7°180.0°
C32C16C17C18179.8°179.8°
C32C16C20C15178.7°180.0°
C32C16C17H70.2°0.1°
C32C16C20H81.3°0.1°
F37C36C18C1710.6°120.0°
F37C36F38C18123.4°120.0°
F37C36F38F39112.4°120.0°
F37C36C18F39120.3°120.0°
F37C36C18C19174.0°60.2°
C16C17C18H7180.0°179.8°
C16C17C18C36178.2°180.0°
C16C17C18C192.7°0.2°
C17C16C20C150.0°0.1°
C17C16C20H8180.0°180.0°
C18C17C16C201.5°0.2°
C17C18C36F38108.5°0.0°
C17C18C36C19175.5°179.8°
C17C18C36F39130.9°120.0°
C17C18C19C152.4°0.0°
C17C18C19H14177.6°180.0°
C16C20C15H8180.0°179.9°
C16C20C15C190.3°0.2°
C16C20C15C14179.0°180.0°
C20C16C17H7178.5°179.9°
F38C36C18F39120.6°120.0°
F38C36C18C1966.9°179.8°
C36C18C19C15177.9°179.8°
C36C18C17H71.8°0.2°
C36C18C19H142.1°0.2°
F39C36C18C1953.7°59.8°
C18C19C15C201.0°0.2°
C18C19C15H14180.0°180.0°
C18C19C15C14179.8°180.0°
C19C18C17H7177.3°180.0°
C20C15C19C14179.2°179.8°
C20C15C14O13145.1°90.0°
C20C15C14H1294.7°150.0°
C20C15C14H1324.9°30.0°
C20C15C19H14179.0°179.8°
C19C15C14O1334.1°89.8°
C19C15C20H8179.7°179.7°
C19C15C14H1286.1°30.2°
C19C15C14H13154.4°150.2°
C15C14O13H12120.2°120.0°
C15C14O13H13120.2°119.9°
C15C14O13C11142.8°180.0°
C14C15C20H81.0°0.1°
C15C14H12H13119.3°120.0°
C14C15C19H140.2°0.0°
C14O13C11N3174.1°180.0°
C14O13C11O125.9°0.0°
O13C14H12H13119.4°120.0°
O13C11N3C20.3°0.4°
O13C11N3O12180.0°179.9°
O13C11N3C4179.4°180.0°
C11O13C14H1222.5°60.0°
C11O13C14H1397.0°60.1°
N30N29C28H19180.0°179.9°
N29N30N31C270.1°0.2°
N30N29C28C25177.7°179.9°
N30N29C28C272.4°0.3°
N31N30N29C281.5°0.3°
N30N31C27C281.3°0.0°
N30N31C27C26178.8°179.7°
N31N30N29H19178.5°179.8°
N29C28C27N312.2°0.2°
N29C28C25C27175.0°179.7°
N29C28C25C24178.3°180.0°
N29C28C27C26179.9°180.0°
N29C28C25H171.7°0.3°
N3C2C1H15119.2°118.7°
N3C2C1H16119.3°119.0°
C2N3C11C4179.6°179.6°
C2N3C11O12179.8°179.7°
N3C2C1C664.2°85.9°
N3C2C1C50.8°23.6°
C2N3C4C512.7°39.3°
C2N3C4H1106.6°158.1°
C2N3C4H2131.9°79.5°
N3C2C1H11141.1°116.5°
N3C2H15H16122.2°122.5°
C1C2N3C11171.7°140.4°
C1C2N3C48.6°39.3°
C2C1C6C596.2°91.0°
C2C1C6H11154.7°157.2°
C2C1C5H11140.0°138.2°
C2C1C6C7157.7°161.5°
C2C1C5C46.7°0.2°
C2C1C5H3141.5°136.7°
C2C1C6H410.6°15.9°
C1C2H15H16122.2°122.3°
C11N3C4C5167.7°140.4°
C11N3C4H173.1°21.6°
C11N3C4H248.4°100.9°
C11N3C2H1552.5°101.1°
C11N3C2H1669.0°21.3°
O12C11N3C40.6°0.0°
N31C27C28C25178.2°180.0°
N31C27C28C26177.9°179.8°
N31C27C26C22179.4°179.6°
N31C27C26H100.5°0.3°
C28C25C24H17180.0°179.8°
C25C28C27C263.9°0.2°
C28C25C24C221.3°0.1°
C28C25C24H9178.7°180.0°
C25C28N29H192.2°0.1°
C27C28C25C243.3°0.2°
C28C27C26C222.3°0.1°
C28C27C26H10177.6°180.0°
C27C28C25H17176.7°180.0°
C27C28N29H19177.6°179.8°
C25C24C22H9180.0°179.9°
C25C24C22C260.2°0.4°
C25C24C22C21179.1°179.9°
N3C4C5C111.5°23.8°
N3C4C5C654.0°89.1°
N3C4C5H1119.2°118.8°
N3C4C5H2119.2°118.8°
N3C4H1H2122.3°122.5°
N3C4C5H3146.5°115.2°
C4N3C2H15127.8°79.2°
C4N3C2H16110.6°158.3°
C27C26C22C240.3°0.4°
C27C26C22H10180.0°179.9°
C27C26C22C21179.6°180.0°
C6C1C5H11108.9°107.4°
C1C6C5C7108.8°106.8°
C1C6C5H4106.8°108.6°
C1C6C7H4147.2°146.7°
C1C6C5C493.0°92.4°
C1C6C7N1099.3°117.0°
C6C1C5H3107.4°108.9°
C1C6C7H521.3°3.0°
C1C6C7H6140.0°123.0°
C6C1C2H1555.1°32.8°
C6C1C2H16176.6°155.0°
C1C5C4H3135.0°139.0°
C1C5C4H1107.8°142.6°
C1C5C4H2130.7°95.0°
C5C1C2H15120.0°95.1°
C5C1C2H16118.5°142.6°
C24C22C26C21179.3°179.7°
C24C22C21N104.9°0.0°
C24C22C21O23179.4°179.9°
C24C22C26H10179.7°179.7°
C22C24C25H17178.7°179.7°
C26C22C21N10175.8°179.7°
C26C22C21O230.1°0.3°
C26C22C24H9179.8°179.8°
C22C21N10O23175.6°179.9°
C22C21N10C7176.1°180.0°
C21C22C24H90.9°0.1°
C21C22C26H100.4°0.0°
C22C21N10H183.9°0.1°
C5C6C7H4144.5°145.3°
C6C5C4H3159.5°155.7°
C5C6C7N10167.7°175.0°
C6C5C4H1173.3°152.0°
C6C5C4H265.2°29.7°
C5C6C7H547.0°65.0°
C5C6C7H671.6°55.0°
C7C6C5C4158.2°160.8°
C6C7N10C21138.6°180.0°
C6C7N10H5120.7°120.0°
C6C7N10H6120.7°120.0°
C7C6C5H31.2°5.6°
C6C7H5H6117.9°120.0°
C7C6C1H113.0°4.3°
C6C7N10H1841.5°0.1°
C5C4H1H2122.3°122.3°
C4C5C6H413.8°16.2°
C4C5C1H11133.3°138.3°
C21N10C7H18180.0°179.9°
C21N10C7H517.9°60.0°
C21N10C7H6100.8°59.9°
O23C21N10C70.5°0.1°
O23C21N10H18179.6°180.0°
N10C7C6H447.8°29.6°
N10C7H5H6117.9°120.0°
H1C4C5H327.2°3.7°
H2C4C5H394.3°126.0°
H3C5C6H4145.7°139.0°
H3C5C1H111.5°1.5°
H4C6C7H5168.5°149.6°
H4C6C7H672.9°90.4°
H4C6C1H11144.1°141.4°
H5C7N10H18162.2°120.1°
H6C7N10H1879.2°120.0°
H9C24C25H171.3°0.2°
H11C1C2H1599.7°124.7°
H11C1C2H1621.8°2.5°

226707

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