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T6I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O8C3doub1.21Å1.26Å
O15C3sing1.34Å1.27Å
C3C1sing1.51Å1.54Å
C1C21sing1.53Å1.53Å
C1C2sing1.53Å1.54Å
F22C11sing1.40Å1.37Å
C11C5sing1.51Å1.53Å
C11C10sing1.51Å1.52Å
N4C5sing1.35Å1.37Å
N4C2sing1.47Å1.45Å
C7C10doub1.38Å1.40ÅAromatic
C7C23sing1.39Å1.41ÅAromatic
C5O9doub1.21Å1.23Å
C2C6sing1.51Å1.53Å
C28C23sing1.51Å1.51Å
C28C27sing1.53Å1.53Å
C10C16sing1.38Å1.40ÅAromatic
C23C24doub1.38Å1.41ÅAromatic
C27C26sing1.53Å1.52Å
C6C13doub1.38Å1.40ÅAromatic
C6C12sing1.38Å1.40ÅAromatic
C16C14doub1.38Å1.39ÅAromatic
C13C17sing1.38Å1.40ÅAromatic
C24C14sing1.39Å1.40ÅAromatic
C24C25sing1.51Å1.51Å
C12C18doub1.38Å1.40ÅAromatic
C26C25sing1.53Å1.53Å
C17C19doub1.38Å1.40ÅAromatic
C18C19sing1.38Å1.40ÅAromatic
C19C20sing1.51Å1.50Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C7H3sing1.08Å1.08Å
C11H4sing1.09Å1.10Å
C12H5sing1.08Å1.08Å
C13H6sing1.08Å1.08Å
C14H7sing1.08Å1.08Å
C16H8sing1.08Å1.08Å
C17H9sing1.08Å1.08Å
C18H10sing1.08Å1.08Å
C20H11sing1.09Å1.10Å
C20H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C21H14sing1.09Å1.10Å
C21H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C25H17sing1.09Å1.10Å
C25H18sing1.09Å1.10Å
C26H19sing1.09Å1.10Å
C26H20sing1.09Å1.10Å
C27H21sing1.09Å1.10Å
C27H22sing1.09Å1.10Å
C28H23sing1.09Å1.10Å
C28H24sing1.09Å1.10Å
N4H25sing0.97Å1.00Å
O15H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O8C3O15128.7°120.0°
O8C3C1115.2°120.0°
O15C3C1116.2°120.0°
C3O15H26109.5°117.0°
C3C1C21104.9°109.5°
C3C1C2113.6°109.5°
C3C1H1108.7°109.5°
C21C1C2112.2°109.5°
C21C1H1108.6°109.4°
C1C21H14109.5°109.5°
C1C21H15109.5°109.5°
C1C21H16109.5°109.5°
C1C2N4110.8°109.5°
C1C2C6115.3°109.5°
C2C1H1108.6°109.5°
C1C2H2106.7°109.5°
F22C11C5111.4°109.5°
F22C11C10111.8°109.5°
F22C11H4108.7°109.5°
C5C11C10111.2°109.4°
C11C5N4114.3°120.0°
C11C5O9122.8°120.0°
C5C11H4106.6°109.5°
C11C10C7121.0°120.1°
C11C10C16120.1°120.1°
C10C11H4106.8°109.5°
C5N4C2123.8°120.0°
N4C5O9122.8°120.0°
C5N4H25118.1°120.0°
N4C2C6109.2°109.5°
N4C2H2107.7°109.4°
C2N4H25118.1°120.0°
C10C7C23120.9°120.6°
C7C10C16118.9°119.8°
C10C7H3119.5°119.7°
C7C23C28119.0°117.8°
C7C23C24119.6°119.7°
C23C7H3119.5°119.7°
C2C6C13120.2°120.0°
C2C6C12121.7°120.0°
C6C2H2106.8°109.5°
C23C28C27113.0°110.6°
C28C23C24121.4°122.6°
C23C28H23108.6°109.2°
C23C28H24108.6°109.3°
C28C27C26110.4°108.5°
C28C27H21109.2°109.7°
C28C27H22109.2°109.7°
C27C28H23108.6°109.2°
C27C28H24108.6°109.3°
C10C16C14120.6°119.8°
C10C16H8119.7°120.1°
C23C24C14119.3°119.7°
C23C24C25121.9°122.5°
C27C26C25110.6°108.4°
C27C26H19109.2°109.7°
C27C26H20109.2°109.7°
C26C27H21109.2°109.7°
C26C27H22109.2°109.7°
C13C6C12118.1°120.0°
C6C13C17120.9°120.0°
C6C13H6119.5°120.0°
C6C12C18121.1°120.0°
C6C12H5119.5°120.0°
C16C14C24120.6°120.5°
C16C14H7119.7°119.7°
C14C16H8119.7°120.1°
C13C17C19120.5°120.0°
C17C13H6119.5°120.0°
C13C17H9119.8°120.0°
C14C24C25118.8°117.8°
C24C14H7119.7°119.7°
C24C25C26113.5°110.6°
C24C25H17108.4°109.2°
C24C25H18108.5°109.2°
C12C18C19120.6°120.0°
C18C12H5119.4°120.0°
C12C18H10119.7°120.0°
C26C25H17108.5°109.3°
C26C25H18108.5°109.2°
C25C26H19109.2°109.6°
C25C26H20109.2°109.7°
C17C19C18118.8°120.0°
C17C19C20121.0°120.0°
C19C17H9119.7°120.0°
C18C19C20120.2°120.0°
C19C18H10119.7°120.0°
C19C20H11109.5°109.5°
C19C20H12109.4°109.5°
C19C20H13109.5°109.5°
H11C20H12109.5°109.4°
H11C20H13109.5°109.5°
H12C20H13109.5°109.4°
H14C21H15109.4°109.5°
H14C21H16109.5°109.5°
H15C21H16109.5°109.5°
H17C25H18109.4°109.3°
H19C26H20109.5°109.8°
H21C27H22109.5°109.6°
H23C28H24109.5°109.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O8C3O15C1179.4°180.0°
O8C3C1C21112.7°127.0°
O8C3C1C2124.4°7.0°
O8C3C1H13.4°113.0°
O8C3O15H260.0°0.0°
O15C3C1C2167.9°53.0°
O15C3C1C255.0°173.0°
O15C3C1H1176.1°67.0°
C3C1C21C2123.8°120.0°
C3C1C21H1116.0°120.0°
C3C1C2H1121.1°120.0°
C3C1C2N459.9°174.1°
C3C1C2C6175.3°65.9°
C3C1C2H257.0°54.1°
C3C1C21H14180.0°60.0°
C3C1C21H1560.0°180.0°
C3C1C21H1660.0°60.0°
C1C3O15H26179.4°179.9°
C21C1C2H1120.1°120.0°
C21C1C2N4178.7°65.9°
C21C1C2C656.6°54.1°
C21C1C2H261.8°174.1°
C1C21H14H15120.0°120.0°
C1C21H14H16120.0°120.0°
C1C21H15H16120.0°120.0°
C1C2N4C5164.5°85.0°
C1C2N4C6128.1°120.0°
C1C2N4H2116.3°120.0°
C1C2C6H2118.3°120.0°
C1C2C6C1381.6°101.1°
C1C2C6C1299.5°79.2°
C2C1C21H1456.1°180.0°
C2C1C21H1563.8°60.0°
C2C1C21H16176.2°60.0°
C1C2N4H2515.5°95.0°
F22C11C5C10125.5°120.0°
F22C11C5H4118.4°120.0°
F22C11C10H4118.7°120.0°
F22C11C5N4157.6°105.0°
F22C11C10C7100.3°125.0°
F22C11C5O923.0°75.0°
F22C11C10C1679.6°55.0°
C5C11C10H4116.0°120.0°
C11C5N4O9179.4°180.0°
C11C5N4C2174.4°180.0°
C5C11C10C7134.4°115.0°
C5C11C10C1645.7°65.0°
C11C5N4H255.6°0.0°
C10C11C5N476.9°135.0°
C11C10C7C16179.9°180.0°
C11C10C7C23179.9°180.0°
C10C11C5O9102.5°45.0°
C11C10C16C14179.9°179.9°
C11C10C7H30.1°0.3°
C11C10C16H80.1°0.2°
C5N4C2H25180.0°180.0°
C5N4C2C667.4°155.0°
C5N4C2H248.2°35.0°
N4C5C11H439.2°15.0°
C2N4C5O95.1°0.0°
N4C2C6H2116.2°120.0°
N4C2C6C1344.0°138.9°
N4C2C6C12135.0°40.8°
N4C2C1H161.1°54.1°
C10C7C23H3180.0°179.7°
C10C7C23C28180.0°179.4°
C10C7C23C240.0°0.3°
C7C10C16C140.1°0.1°
C7C10C11H418.4°5.0°
C7C10C16H8180.0°179.9°
C7C23C28C24179.9°179.7°
C7C23C28C27162.8°162.4°
C23C7C10C160.0°0.0°
C7C23C24C140.1°0.4°
C7C23C24C25180.0°179.3°
C7C23C28H2376.7°77.4°
C7C23C28H2442.3°42.1°
O9C5C11H4141.4°165.0°
O9C5N4H25174.9°180.0°
C2C6C13C12179.0°179.7°
C2C6C13C17179.4°180.0°
C2C6C12C18179.5°180.0°
C6C2C1H163.6°174.1°
C2C6C12H50.5°0.0°
C2C6C13H60.6°0.0°
C6C2N4H25112.6°25.0°
C23C28C27H23120.5°120.2°
C23C28C27H24120.5°120.3°
C23C28C27C2648.0°51.1°
C28C23C24C14180.0°179.3°
C28C23C24C250.1°1.1°
C28C23C7H30.0°0.3°
C23C28C27H21168.1°68.7°
C23C28C27H2272.2°170.8°
C23C28H23H24118.4°119.5°
C27C28C23C2417.3°17.9°
C28C27C26H21120.1°119.8°
C28C27C26H22120.1°119.8°
C28C27C26C2562.6°69.8°
C28C27C26H1957.6°170.5°
C28C27C26H20177.3°49.9°
C28C27H21H22119.6°120.5°
C27C28H23H24118.4°119.5°
C10C16C14H8180.0°180.0°
C10C16C14C240.1°0.0°
C16C10C7H3180.0°179.8°
C16C10C11H4161.7°175.0°
C10C16C14H7179.9°179.9°
C23C24C14C160.1°0.3°
C23C24C14C25179.9°179.7°
C23C24C25C2614.1°18.1°
C24C23C7H3180.0°180.0°
C23C24C14H7179.9°179.7°
C23C24C25H17106.5°102.2°
C23C24C25H18134.8°138.3°
C24C23C28H23103.3°102.3°
C24C23C28H24137.8°138.2°
C27C26C25C2444.8°51.2°
C27C26C25H19120.2°119.7°
C27C26C25H20120.1°119.7°
C27C26C25H1775.8°69.1°
C27C26C25H18165.5°171.4°
C27C26H19H20119.5°120.6°
C26C27H21H22119.6°120.5°
C26C27C28H2372.6°69.2°
C26C27C28H24168.5°171.4°
C6C13C17H6180.0°180.0°
C13C6C12C180.5°0.3°
C6C13C17C190.1°0.0°
C13C6C2H2160.2°18.9°
C13C6C12H5179.5°179.8°
C6C13C17H9179.9°179.9°
C12C6C13C170.5°0.3°
C6C12C18H5180.0°180.0°
C6C12C18C190.2°0.0°
C12C6C2H218.8°160.8°
C12C6C13H6179.6°179.7°
C6C12C18H10179.8°180.0°
C16C14C24H7180.0°180.0°
C16C14C24C25180.0°179.4°
C13C17C19H9180.0°179.9°
C13C17C19C180.2°0.3°
C13C17C19C20180.0°180.0°
C14C24C25C26166.0°162.2°
C24C14C16H8179.9°180.0°
C14C24C25H1773.4°77.5°
C14C24C25H1845.3°42.0°
C24C25C26H17120.6°120.3°
C24C25C26H18120.6°120.2°
C25C24C14H70.0°0.6°
C24C25H17H18118.1°119.4°
C24C25C26H1975.4°170.9°
C24C25C26H20165.0°68.5°
C12C18C19C170.2°0.3°
C12C18C19H10180.0°179.9°
C12C18C19C20180.0°180.0°
C26C25H17H18118.2°119.5°
C25C26H19H20119.5°120.5°
C25C26C27H21177.3°49.9°
C25C26C27H2257.6°170.4°
C17C19C18C20179.8°179.7°
C19C17C13H6179.9°180.0°
C17C19C18H10179.8°179.7°
C17C19C20H1189.9°90.0°
C17C19C20H12150.1°150.0°
C17C19C20H1330.1°30.1°
C19C18C12H5179.8°179.9°
C18C19C17H9179.8°179.6°
C18C19C20H1189.9°90.3°
C18C19C20H1230.1°29.7°
C18C19C20H13150.1°149.6°
C20C19C17H90.0°0.1°
C20C19C18H100.1°0.0°
C19C20H11H12120.0°120.1°
C19C20H11H13120.0°120.1°
C19C20H12H13120.0°120.0°
H1C1C2H2178.1°65.9°
H1C1C21H1464.0°60.0°
H1C1C21H15176.1°60.1°
H1C1C21H1656.1°180.0°
H2C2N4H25131.8°145.0°
H5C12C18H100.2°0.0°
H6C13C17H90.1°0.1°
H7C14C16H80.1°0.0°
H11C20H12H13120.0°119.9°
H14C21H15H16120.0°120.0°
H17C25C26H19164.0°50.6°
H17C25C26H2044.4°171.2°
H18C25C26H1945.3°68.9°
H18C25C26H2074.4°51.7°
H19C26C27H2162.5°69.7°
H19C26C27H22177.8°50.7°
H20C26C27H2157.1°169.7°
H20C26C27H2262.6°69.9°
H21C27C28H2347.6°171.1°
H21C27C28H2471.4°51.6°
H22C27C28H23167.3°50.6°
H22C27C28H2448.3°68.8°

224931

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