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J9E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F22C21sing1.35Å1.34Å
C20C21sing1.39Å1.37ÅAromatic
C20C18doub1.37Å1.36ÅAromatic
C21C23doub1.38Å1.37ÅAromatic
F19C18sing1.35Å1.34Å
C18C17sing1.40Å1.40ÅAromatic
C23C24sing1.39Å1.40ÅAromatic
C24C17doub1.41Å1.34ÅAromatic
C24N25sing1.37Å1.35ÅAromatic
C17C16sing1.41Å1.39ÅAromatic
N25C15sing1.38Å1.31ÅAromatic
C16C15doub1.36Å1.37ÅAromatic
C15C02sing1.47Å1.51Å
C02O01doub1.22Å1.17Å
C02N03sing1.35Å1.44Å
N03C04sing1.47Å1.44Å
C04C05sing1.53Å1.51Å
C04C14sing1.53Å1.51Å
C05C06sing1.53Å1.50Å
C14C13sing1.53Å1.52Å
C06C07sing1.53Å1.50Å
C13C07sing1.53Å1.51Å
C07C08sing1.53Å1.50Å
C07C12sing1.53Å1.50Å
C08C09sing1.53Å1.52Å
C12C11sing1.53Å1.51Å
C09C10sing1.53Å1.52Å
C11C10sing1.53Å1.51Å
C04H1sing1.09Å1.10Å
C05H2sing1.09Å1.10Å
C05H3sing1.09Å1.10Å
C06H4sing1.09Å1.10Å
C06H5sing1.09Å1.10Å
C08H6sing1.09Å1.10Å
C08H7sing1.09Å1.10Å
C09H8sing1.09Å1.10Å
C09H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C13H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C16H20sing1.08Å1.08Å
C20H21sing1.08Å1.08Å
C23H22sing1.08Å1.08Å
N03H23sing0.97Å1.00Å
N25H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F22C21C20118.2°119.7°
F22C21C23119.7°119.7°
C21C20C18118.5°120.6°
C20C21C23122.0°120.6°
C21C20H21120.7°119.8°
C20C18F19116.8°120.1°
C20C18C17120.6°119.8°
C18C20H21120.8°119.7°
C21C23C24118.3°119.9°
C21C23H22120.8°120.0°
F19C18C17122.6°120.1°
C18C17C24119.9°119.7°
C18C17C16134.7°133.3°
C23C24C17120.6°119.5°
C23C24N25129.6°133.2°
C24C23H22120.9°120.1°
C17C24N25109.8°107.3°
C24C17C16105.4°107.0°
C24N25C15109.1°108.8°
C24N25H24125.5°125.6°
C17C16C15107.5°107.8°
C17C16H20126.3°126.2°
N25C15C16108.2°109.0°
N25C15C02124.9°125.5°
C15N25H24125.5°125.6°
C16C15C02126.9°125.5°
C15C16H20126.2°126.1°
C15C02O01119.6°120.0°
C15C02N03120.2°120.0°
O01C02N03120.1°120.0°
C02N03C04114.4°120.0°
C02N03H23122.8°120.0°
N03C04C05109.0°109.5°
N03C04C14110.7°109.5°
N03C04H1107.8°109.5°
C04N03H23122.8°120.0°
C05C04C14115.1°109.5°
C04C05C06106.3°109.5°
C05C04H1107.0°109.5°
C04C05H2110.3°109.5°
C04C05H3110.3°109.5°
C04C14C13115.4°109.5°
C14C04H1107.0°109.5°
C04C14H18108.0°109.5°
C04C14H19108.0°109.5°
C05C06C07105.7°109.5°
C06C05H2110.3°109.5°
C06C05H3110.3°109.4°
C05C06H4110.4°109.5°
C05C06H5110.4°109.5°
C14C13C07115.9°109.4°
C14C13H16107.9°109.5°
C14C13H17107.8°109.5°
C13C14H18108.0°109.4°
C13C14H19108.0°109.4°
C06C07C13114.0°109.4°
C06C07C08108.4°109.5°
C06C07C1286.5°109.5°
C07C06H4110.4°109.5°
C07C06H5110.4°109.4°
C13C07C08115.1°109.4°
C13C07C12118.3°109.4°
C07C13H16107.8°109.5°
C07C13H17107.9°109.4°
C08C07C12111.0°109.5°
C07C08C09108.0°109.5°
C07C08H6109.8°109.5°
C07C08H7109.8°109.5°
C07C12C11106.6°109.5°
C07C12H14110.2°109.4°
C07C12H15110.2°109.4°
C08C09C10110.4°109.5°
C09C08H6109.9°109.4°
C09C08H7109.8°109.4°
C08C09H8109.3°109.5°
C08C09H9109.3°109.4°
C12C11C10110.1°109.5°
C12C11H12109.3°109.4°
C12C11H13109.3°109.5°
C11C12H14110.2°109.5°
C11C12H15110.2°109.5°
C09C10C11112.2°109.5°
C10C09H8109.2°109.5°
C10C09H9109.2°109.5°
C09C10H10108.8°109.5°
C09C10H11108.8°109.4°
C11C10H10108.8°109.5°
C11C10H11108.8°109.5°
C10C11H12109.3°109.4°
C10C11H13109.3°109.5°
H2C05H3109.5°109.4°
H4C06H5109.4°109.5°
H6C08H7109.5°109.5°
H8C09H9109.5°109.5°
H10C10H11109.5°109.4°
H12C11H13109.5°109.5°
H14C12H15109.5°109.5°
H16C13H17109.4°109.5°
H18C14H19109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F22C21C20C23179.8°179.9°
F22C21C20C18179.8°179.9°
F22C21C23C24179.7°180.0°
F22C21C20H210.2°0.0°
F22C21C23H220.3°0.1°
C21C20C18H21180.0°180.0°
C21C20C18F19179.6°179.9°
C21C20C18C170.0°0.0°
C20C21C23C240.1°0.1°
C20C21C23H22180.0°180.0°
C18C20C21C230.0°0.0°
C20C18F19C17179.6°180.0°
C20C18C17C240.2°0.0°
C20C18C17C16179.8°180.0°
C21C23C24H22180.0°180.0°
C21C23C24C170.2°0.1°
C21C23C24N25179.7°179.7°
C23C21C20H21180.0°179.9°
F19C18C17C24179.8°179.9°
F19C18C17C160.6°0.0°
F19C18C20H210.4°0.0°
C18C17C24C230.3°0.0°
C18C17C24C16179.7°180.0°
C18C17C24N25179.6°179.8°
C18C17C16C15179.1°180.0°
C18C17C16H200.9°0.0°
C17C18C20H21180.0°180.0°
C23C24C17N25179.9°179.8°
C23C24C17C16180.0°179.9°
C23C24N25C15179.5°179.8°
C23C24N25H240.6°0.1°
C17C24N25C150.4°0.4°
C24C17C16C150.6°0.0°
C24C17C16H20179.4°180.0°
C17C24C23H22179.8°180.0°
C17C24N25H24179.5°179.6°
N25C24C17C160.1°0.3°
C24N25C15H24180.0°179.9°
C24N25C15C160.8°0.4°
C24N25C15C02179.2°179.8°
N25C24C23H220.3°0.3°
C17C16C15N250.8°0.2°
C17C16C15H20180.0°180.0°
C17C16C15C02179.2°180.0°
N25C15C16C02178.4°179.7°
N25C15C02O0117.1°179.7°
N25C15C02N03163.3°0.0°
N25C15C16H20179.2°179.8°
C16C15C02O01161.0°0.0°
C16C15C02N0318.6°179.7°
C16C15N25H24179.2°179.6°
C15C02O01N03179.6°179.7°
C15C02N03C04178.1°179.7°
C02C15C16H200.8°0.0°
C15C02N03H231.9°0.4°
C02C15N25H240.7°0.1°
O01C02N03C041.5°0.0°
O01C02N03H23178.5°179.9°
C02N03C04H23180.0°179.9°
C02N03C04C05148.6°154.9°
C02N03C04C1483.9°85.1°
C02N03C04H132.8°34.9°
N03C04C05C14125.0°120.0°
N03C04C05H1116.3°120.0°
N03C04C14H1117.2°120.0°
N03C04C05C06170.0°180.0°
N03C04C14C13115.9°180.0°
N03C04C05H270.5°60.0°
N03C04C05H350.5°60.0°
N03C04C14H185.0°60.0°
N03C04C14H19123.2°60.0°
C05C04C14H1118.7°120.0°
C04C05C06H2119.5°120.1°
C04C05C06H3119.5°120.0°
C05C04C14C138.2°60.0°
C04C05C06C0775.8°60.0°
C04C05H2H3121.5°120.0°
C04C05C06H443.5°60.1°
C04C05C06H5164.7°179.9°
C05C04C14H18129.1°60.0°
C05C04C14H19112.7°180.0°
C05C04N03H2331.4°25.0°
C14C04C05C0645.0°60.0°
C04C14C13H18120.9°120.0°
C04C14C13H19120.9°120.0°
C04C14C13C0732.7°60.0°
C14C04C05H2164.5°179.9°
C14C04C05H374.5°60.0°
C04C14C13H1688.3°60.0°
C04C14C13H17153.7°180.0°
C04C14H18H19117.3°120.1°
C14C04N03H2396.1°95.1°
C05C06C07H4119.4°120.0°
C05C06C07H5119.4°120.0°
C05C06C07C1351.9°60.0°
C05C06C07C0877.7°60.0°
C05C06C07C12171.4°180.0°
C06C05C04H173.7°60.0°
C06C05H2H3121.5°119.9°
C05C06H4H5121.8°120.0°
C14C13C07C061.6°60.0°
C14C13C07H16121.0°120.0°
C14C13C07H17120.9°120.0°
C14C13C07C08127.7°60.0°
C14C13C07C1297.8°180.0°
C13C14C04H1126.9°60.0°
C14C13H16H17117.1°120.1°
C13C14H18H19117.3°119.9°
C06C07C13C08126.1°120.0°
C06C07C13C1299.4°120.0°
C06C07C08C1293.4°120.1°
C06C07C08C09157.2°180.0°
C06C07C12C11173.8°180.0°
C07C06C05H2164.7°179.9°
C07C06C05H343.7°60.0°
C07C06H4H5121.7°119.9°
C06C07C08H637.4°60.1°
C06C07C08H783.0°60.0°
C06C07C12H1466.7°60.0°
C06C07C12H1554.3°60.1°
C06C07C13H16119.3°60.0°
C06C07C13H17122.6°180.0°
C13C07C08C12137.7°120.0°
C13C07C08C0973.9°60.0°
C13C07C12C1170.8°60.0°
C13C07C06H467.6°60.0°
C13C07C06H5171.3°180.0°
C13C07C08H6166.4°180.0°
C13C07C08H745.9°60.0°
C13C07C12H1448.8°60.0°
C13C07C12H15169.7°180.0°
C07C13H16H17117.1°119.9°
C07C13C14H18153.6°60.0°
C07C13C14H1988.2°180.0°
C07C08C09H6119.7°120.0°
C07C08C09H7119.8°120.1°
C08C07C12C1165.4°60.0°
C07C08C09C1056.1°59.9°
C08C07C06H4162.9°180.0°
C08C07C06H541.8°60.0°
C07C08H6H7120.7°120.1°
C07C08C09H8176.2°180.0°
C07C08C09H964.0°60.0°
C08C07C12H14175.0°180.0°
C08C07C12H1554.1°60.0°
C08C07C13H166.8°180.0°
C08C07C13H17111.3°60.0°
C12C07C08C0963.8°59.9°
C07C12C11H14119.5°120.0°
C07C12C11H15119.5°119.9°
C07C12C11C1059.8°60.0°
C12C07C06H451.9°59.9°
C12C07C06H569.2°60.0°
C12C07C08H655.9°60.0°
C12C07C08H7176.4°180.0°
C07C12C11H1260.3°179.9°
C07C12C11H13179.9°60.0°
C07C12H14H15121.3°119.9°
C12C07C13H16141.2°60.0°
C12C07C13H1723.2°60.0°
C08C09C10H8120.1°120.0°
C08C09C10H9120.2°119.9°
C08C09C10C1153.9°60.0°
C09C08H6H7120.7°119.9°
C08C09H8H9119.6°120.0°
C08C09C10H1066.5°60.1°
C08C09C10H11174.3°180.0°
C12C11C10C0956.1°60.0°
C12C11C10H12120.1°119.9°
C12C11C10H13120.1°120.0°
C12C11C10H1064.3°60.0°
C12C11C10H11176.5°180.0°
C12C11H12H13119.7°120.0°
C11C12H14H15121.3°120.1°
C09C10C11H10120.4°120.0°
C09C10C11H11120.4°120.0°
C10C09C08H663.6°60.0°
C10C09C08H7175.9°180.0°
C10C09H8H9119.6°120.0°
C09C10H10H11118.8°119.9°
C09C10C11H1264.0°180.0°
C09C10C11H13176.2°60.0°
C11C10C09H8174.0°180.0°
C11C10C09H966.3°59.9°
C11C10H10H11118.7°120.0°
C10C11H12H13119.7°120.0°
C10C11C12H14179.4°180.0°
C10C11C12H1559.7°59.9°
H1C04C05H245.8°60.1°
H1C04C05H3166.8°180.0°
H1C04C14H18112.2°180.0°
H1C04C14H196.0°60.0°
H1C04N03H23147.2°145.0°
H2C05C06H475.9°60.0°
H2C05C06H545.3°60.0°
H3C05C06H4163.0°180.0°
H3C05C06H575.8°60.0°
H6C08C09H856.5°60.0°
H6C08C09H9176.2°180.0°
H7C08C09H864.0°59.9°
H7C08C09H955.7°60.1°
H8C09C10H1053.6°60.0°
H8C09C10H1165.6°60.0°
H9C09C10H10173.3°NaN°
H9C09C10H1154.1°60.1°
H10C10C11H12175.6°59.9°
H10C10C11H1355.8°180.0°
H11C10C11H1256.5°60.1°
H11C10C11H1363.4°60.0°
H12C11C12H1459.3°60.1°
H12C11C12H15179.8°60.0°
H13C11C12H1460.6°59.9°
H13C11C12H1560.3°180.0°
H16C13C14H1832.6°180.0°
H16C13C14H19150.9°60.0°
H17C13C14H1885.5°60.0°
H17C13C14H1932.8°60.0°

222624

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