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FCU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F09C08sing1.40Å1.36Å
F11C08sing1.40Å1.36Å
C08F10sing1.40Å1.37Å
C08C07sing1.51Å1.51Å
C07C12doub1.38Å1.38ÅAromatic
C07C06sing1.38Å1.40ÅAromatic
C12C03sing1.40Å1.39ÅAromatic
C06C05doub1.38Å1.39ÅAromatic
O01C02doub1.22Å1.17Å
C03C02sing1.48Å1.52Å
C03C04doub1.40Å1.40ÅAromatic
C02N13sing1.35Å1.44Å
C05C04sing1.38Å1.39ÅAromatic
C19C14doub1.40Å1.41ÅAromatic
C19C18sing1.38Å1.39ÅAromatic
N13C14sing1.40Å1.49Å
N13C40sing1.47Å1.47Å
C14C15sing1.39Å1.39ÅAromatic
C18C17doub1.38Å1.41ÅAromatic
C34C35doub1.38Å1.40ÅAromatic
C34C33sing1.40Å1.40ÅAromatic
C40C20sing1.54Å1.49Å
C35C36sing1.39Å1.39ÅAromatic
C32N31doub1.31Å1.47Å
C32C33sing1.47Å1.53Å
N31C30sing1.35Å1.48Å
C33C38doub1.40Å1.40ÅAromatic
C15C20sing1.51Å1.54Å
C15C16doub1.38Å1.42ÅAromatic
C17C16sing1.38Å1.40ÅAromatic
C20N29sing1.47Å1.48Å
C20C21sing1.51Å1.52Å
C36C37doub1.38Å1.40ÅAromatic
C30N29sing1.35Å1.47Å
C30O39doub1.22Å1.19Å
C38C37sing1.38Å1.40ÅAromatic
O28C21doub1.21Å1.19Å
C21N22sing1.35Å1.45Å
N22C23sing1.39Å1.44Å
C23N24sing1.35Å1.35ÅAromatic
C23N27doub1.31Å1.35ÅAromatic
N24N25sing1.41Å1.36ÅAromatic
N27N26sing1.28Å1.36ÅAromatic
N25N26doub1.29Å1.35ÅAromatic
C04H1sing1.08Å1.08Å
C05H2sing1.08Å1.08Å
C06H3sing1.08Å1.08Å
C12H4sing1.08Å1.08Å
C16H5sing1.08Å1.08Å
C17H6sing1.08Å1.08Å
C18H7sing1.08Å1.08Å
C19H8sing1.08Å1.08Å
N22H9sing0.97Å1.00Å
N24H10sing0.97Å1.00Å
N29H11sing0.97Å1.00Å
C32H12sing1.08Å1.08Å
C34H13sing1.08Å1.08Å
C35H14sing1.08Å1.08Å
C36H15sing1.08Å1.08Å
C37H16sing1.08Å1.08Å
C38H17sing1.08Å1.08Å
C40H18sing1.09Å1.10Å
C40H19sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F09C08F11110.3°109.5°
F09C08F10110.4°109.5°
F09C08C07106.5°109.4°
F11C08F10110.4°109.5°
F11C08C07110.7°109.5°
F10C08C07108.4°109.5°
C08C07C12116.4°120.0°
C08C07C06122.8°119.9°
C12C07C06120.8°120.2°
C07C12C03118.5°119.8°
C07C12H4120.8°120.1°
C07C06C05120.2°120.3°
C07C06H3119.9°119.9°
C12C03C02117.4°120.1°
C12C03C04121.9°119.7°
C03C12H4120.8°120.1°
C06C05C04119.8°120.2°
C06C05H2120.1°119.9°
C05C06H3119.9°119.8°
O01C02C03121.5°120.0°
O01C02N13122.3°120.1°
C02C03C04120.8°120.1°
C03C02N13116.2°120.0°
C03C04C05118.9°119.8°
C03C04H1120.6°120.1°
C02N13C14127.0°124.9°
C02N13C40126.4°125.0°
C05C04H1120.6°120.1°
C04C05H2120.1°119.9°
C14C19C18118.7°120.3°
C19C14N13133.4°129.3°
C19C14C15121.6°119.0°
C14C19H8120.7°119.9°
C19C18C17120.4°120.2°
C19C18H7119.8°119.9°
C18C19H8120.7°119.8°
C14N13C40106.4°110.1°
N13C14C15104.8°111.6°
N13C40C20100.4°105.2°
N13C40H18111.7°110.3°
N13C40H19111.7°110.3°
C14C15C20108.8°108.5°
C14C15C16119.5°120.5°
C18C17C16120.5°119.8°
C18C17H6119.7°120.1°
C17C18H7119.8°119.9°
C35C34C33120.0°119.8°
C34C35C36120.6°120.2°
C35C34H13120.0°120.0°
C34C35H14119.7°120.0°
C34C33C32120.7°120.2°
C34C33C38119.4°119.7°
C33C34H13120.0°120.1°
C40C20C15102.8°104.6°
C40C20N29110.7°110.6°
C40C20C21107.9°110.3°
C20C40H18111.7°110.4°
C20C40H19111.7°110.2°
C35C36C37119.5°120.3°
C36C35H14119.7°119.9°
C35C36H15120.3°119.8°
N31C32C33117.2°120.0°
C32N31C30125.4°120.0°
N31C32H12121.4°120.0°
C32C33C38119.8°120.2°
C33C32H12121.4°120.0°
N31C30N29126.3°120.0°
N31C30O39120.3°120.0°
C33C38C37120.4°119.8°
C33C38H17119.8°120.1°
C20C15C16131.2°131.0°
C15C20N29123.8°110.4°
C15C20C21102.0°110.4°
C15C16C17119.1°120.2°
C15C16H5120.4°119.9°
C17C16H5120.5°119.9°
C16C17H6119.7°120.1°
N29C20C21108.5°110.4°
C20N29C30131.5°120.0°
C20N29H11114.3°120.0°
C20C21O28121.5°120.0°
C20C21N22114.8°120.0°
C36C37C38120.1°120.2°
C37C36H15120.3°119.8°
C36C37H16119.9°119.9°
N29C30O39113.4°120.0°
C30N29H11114.2°120.0°
C38C37H16120.0°119.9°
C37C38H17119.8°120.1°
O28C21N22123.7°120.0°
C21N22C23121.7°120.1°
C21N22H9119.1°119.9°
N22C23N24125.8°126.4°
N22C23N27124.4°126.4°
C23N22H9119.2°120.0°
N24C23N27109.8°107.2°
C23N24N25106.5°105.3°
C23N24H10126.8°127.4°
C23N27N26107.0°110.5°
N24N25N26108.7°106.8°
N25N24H10126.8°127.4°
N27N26N25108.1°110.3°
H18C40H19109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F09C08F11F10122.3°120.0°
F09C08F11C07117.7°120.0°
F09C08F10C07116.3°119.9°
F09C08C07C1231.0°30.0°
F09C08C07C06148.4°149.5°
F11C08F10C07121.4°120.1°
F11C08C07C12151.0°150.0°
F11C08C07C0628.5°29.5°
F10C08C07C1287.8°90.0°
F10C08C07C0692.8°90.6°
C08C07C12C06179.4°179.5°
C08C07C12C03179.1°180.0°
C08C07C06C05179.7°179.8°
C08C07C06H30.3°0.3°
C08C07C12H40.9°0.5°
C07C12C03H4180.0°179.5°
C12C07C06C050.3°0.3°
C07C12C03C02179.7°179.8°
C07C12C03C041.2°0.5°
C12C07C06H3179.7°179.8°
C06C07C12C030.3°0.5°
C07C06C05H3180.0°179.9°
C07C06C05C040.0°0.1°
C07C06C05H2180.0°180.0°
C06C07C12H4179.7°180.0°
C12C03C02O0166.1°9.4°
C12C03C02C04179.1°179.7°
C12C03C02N13111.4°170.3°
C12C03C04C051.4°0.3°
C12C03C04H1178.6°179.8°
C06C05C04C030.8°0.1°
C06C05C04H2180.0°179.9°
C06C05C04H1179.3°180.0°
O01C02C03N13177.5°179.7°
O01C02C03C04114.8°170.2°
O01C02N13C145.4°6.1°
O01C02N13C40179.8°173.6°
C02C03C04C05179.5°180.0°
C03C02N13C14177.2°173.6°
C03C02N13C402.3°6.7°
C02C03C04H10.5°0.1°
C02C03C12H40.3°0.3°
C04C03C02N1367.8°10.0°
C03C04C05H1180.0°179.9°
C03C04C05H2179.2°180.0°
C04C03C12H4178.9°180.0°
C02N13C14C1928.3°0.0°
C02N13C14C40175.7°179.7°
C02N13C14C15146.2°180.0°
C02N13C40C20134.9°179.9°
C02N13C40H18106.6°61.1°
C02N13C40H1916.3°61.1°
C04C05C06H3180.0°180.0°
C14C19C18H8180.0°180.0°
C19C14N13C15174.5°180.0°
C19C14N13C40156.0°179.8°
C14C19C18C171.8°0.1°
C19C14C15C20179.2°180.0°
C19C14C15C166.3°0.0°
C14C19C18H7178.2°180.0°
C18C19C14N13178.6°179.9°
C18C19C14C154.7°0.1°
C19C18C17H7180.0°180.0°
C19C18C17C160.4°0.0°
C19C18C17H6179.6°180.0°
C14N13C40C2040.9°0.3°
N13C14C15C205.5°0.0°
N13C14C15C16178.4°180.0°
N13C14C19H81.4°0.0°
C14N13C40H1877.7°118.7°
C14N13C40H19159.4°119.1°
C40N13C14C1529.4°0.2°
N13C40C20H18118.5°118.9°
N13C40C20H19118.5°118.9°
N13C40C20C1535.7°0.3°
N13C40C20N2998.4°118.5°
N13C40C20C21143.0°119.1°
N13C40H18H19124.2°122.2°
C14C15C20C4019.4°0.2°
C14C15C20C16171.8°180.0°
C14C15C16C174.8°0.0°
C14C15C20N29106.5°118.8°
C14C15C20C21131.2°118.9°
C14C15C16H5175.3°180.0°
C15C14C19H8175.3°180.0°
C18C17C16C151.9°0.0°
C18C17C16H6180.0°180.0°
C18C17C16H5178.1°180.0°
C17C18C19H8178.2°180.0°
C35C34C33H13180.0°180.0°
C34C35C36H14180.0°179.9°
C35C34C33C32179.5°180.0°
C35C34C33C380.4°0.2°
C34C35C36C370.1°0.0°
C34C35C36H15179.9°180.0°
C33C34C35C360.2°0.0°
C34C33C32N3166.3°174.3°
C34C33C32C38179.9°179.8°
C34C33C38C370.1°0.5°
C34C33C32H12113.7°5.7°
C33C34C35H14179.8°180.0°
C34C33C38H17179.9°179.7°
C40C20C15N29126.0°119.0°
C40C20C15C21111.8°118.7°
C40C20C15C16152.3°179.8°
C40C20N29C21118.3°122.4°
C40C20N29C3097.9°161.7°
C40C20C21O2820.5°29.0°
C40C20C21N22161.9°151.0°
C40C20N29H1182.1°18.3°
C20C40H18H19124.2°122.0°
C35C36C37H15180.0°180.0°
C35C36C37C380.3°0.2°
C36C35C34H13179.8°180.0°
C35C36C37H16179.7°180.0°
N31C32C33H12180.0°180.0°
N31C32C33C38113.6°5.5°
C32N31C30N29179.6°170.4°
C32N31C30O390.9°9.6°
C33C32N31C3014.1°34.6°
C32C33C38C37179.7°179.8°
C32C33C34H130.5°0.0°
C32C33C38H170.3°0.0°
N31C30N29C200.5°171.3°
N31C30N29O39178.8°180.0°
N31C30N29H11179.5°8.7°
C30N31C32H12165.9°145.4°
C33C38C37C360.2°0.5°
C33C38C37H17180.0°179.8°
C38C33C32H1266.4°174.5°
C38C33C34H13179.6°179.8°
C33C38C37H16179.8°179.7°
C20C15C16C17175.8°179.9°
C15C20N29C21119.2°122.4°
C15C20N29C3024.6°46.4°
C15C20C21O2887.5°86.1°
C15C20C21N2290.2°93.9°
C20C15C16H54.2°0.0°
C15C20N29H11155.4°133.6°
C15C20C40H1882.9°118.6°
C15C20C40H19154.2°119.2°
C15C16C17H5180.0°179.9°
C16C15C20N2981.7°61.3°
C16C15C20C2140.5°61.1°
C15C16C17H6178.1°180.0°
C16C17C18H7179.5°180.0°
C20N29C30H11180.0°180.0°
C20N29C30O39179.3°8.7°
N29C20C21O28140.4°151.5°
N29C20C21N2241.9°28.5°
N29C20C40H18143.1°122.5°
N29C20C40H1920.2°0.3°
C21C20N29C30143.8°75.9°
C20C21O28N22177.4°180.0°
C20C21N22C23178.7°176.9°
C20C21N22H91.3°3.1°
C21C20N29H1136.2°104.1°
C21C20C40H1824.5°0.1°
C21C20C40H1998.5°122.0°
C36C37C38H16180.0°179.8°
C37C36C35H14179.9°180.0°
C36C37C38H17179.8°179.7°
O39C30N29H110.7°171.3°
C38C37C36H15179.7°179.7°
O28C21N22C231.1°3.1°
O28C21N22H9178.9°176.9°
C21N22C23H9180.0°180.0°
C21N22C23N2446.5°0.0°
C21N22C23N27135.2°179.7°
N22C23N24N27178.5°179.8°
N22C23N24N25178.6°180.0°
N22C23N27N26178.5°179.9°
N22C23N24H101.5°0.0°
C23N24N25H10180.0°180.0°
N24C23N27N260.0°0.4°
C23N24N25N260.1°0.0°
N24C23N22H9133.6°180.0°
N27C23N24N250.0°0.2°
C23N27N26N250.0°0.4°
N27C23N22H944.7°0.3°
N27C23N24H10180.0°179.8°
N24N25N26N270.1°0.2°
N26N25N24H10179.9°180.0°
H1C04C05H20.8°0.1°
H2C05C06H30.0°0.1°
H5C16C17H61.9°0.0°
H6C17C18H70.5°0.0°
H7C18C19H81.8°0.0°
H13C34C35H140.2°0.0°
H14C35C36H150.1°0.1°
H15C36C37H160.3°0.1°
H16C37C38H170.2°0.1°

227344

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