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HXI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F30C27sing1.40Å1.34Å
F29C27sing1.40Å1.34Å
F32C31sing1.40Å1.34Å
F34C31sing1.40Å1.34Å
C27F28sing1.40Å1.34Å
C27C12sing1.53Å1.53Å
C31C12sing1.53Å1.54Å
C31F33sing1.40Å1.34Å
C12C11sing1.53Å1.54Å
C12O13sing1.43Å1.43Å
C11C10sing1.47Å1.47Å
C10C9trip1.17Å1.21Å
C9C8sing1.47Å1.48Å
C8C7sing1.53Å1.54Å
C24C23doub1.33Å1.32Å
C19C18sing1.52Å1.51Å
C19C20sing1.53Å1.52Å
C15C14sing1.51Å1.50Å
C21C20sing1.53Å1.52Å
C21C22sing1.53Å1.52Å
C23C18sing1.48Å1.47Å
C23C22sing1.52Å1.51Å
O26C22sing1.43Å1.42Å
C18C17doub1.35Å1.35Å
C17C16sing1.41Å1.44Å
C14C16doub1.35Å1.35Å
C14C2sing1.47Å1.49Å
C20O25sing1.43Å1.43Å
C1C2doub1.40Å1.40ÅAromatic
C1C6sing1.38Å1.39ÅAromatic
C2C3sing1.40Å1.39ÅAromatic
C7C6sing1.51Å1.51Å
C6C5doub1.38Å1.39ÅAromatic
C3C4doub1.38Å1.38ÅAromatic
C5C4sing1.38Å1.39ÅAromatic
C7H1sing1.09Å1.10Å
C7H2sing1.09Å1.10Å
C8H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C1H6sing1.08Å1.08Å
C5H7sing1.08Å1.08Å
C4H8sing1.08Å1.08Å
C3H9sing1.08Å1.08Å
C15H11sing1.09Å1.10Å
C15H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C16H14sing1.08Å1.08Å
C17H15sing1.08Å1.08Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C24H22sing1.08Å1.08Å
C24H23sing1.08Å1.08Å
O13H24sing0.97Å0.95Å
O25H25sing0.97Å0.95Å
O26H26sing0.97Å0.95Å
C11H5sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F30C27F29107.2°109.5°
F30C27F28108.7°109.5°
F30C27C12110.0°109.5°
F29C27F28107.9°109.5°
F29C27C12111.5°109.5°
F32C31F34106.8°109.5°
F32C31C12111.2°109.5°
F32C31F33107.6°109.5°
F34C31C12111.1°109.5°
F34C31F33108.0°109.4°
F28C27C12111.3°109.5°
C27C12C31107.9°109.5°
C27C12C11107.0°109.4°
C27C12O13107.8°109.4°
C12C31F33111.9°109.5°
C31C12C11111.4°109.5°
C31C12O13109.8°109.5°
C11C12O13112.8°109.5°
C12C11C10116.9°109.5°
C12C11H5107.6°109.5°
C12C11H10107.6°109.4°
C12O13H24109.5°114.0°
C11C10C9173.4°180.0°
C10C11H5107.6°109.5°
C10C11H10107.6°109.5°
C10C9C8153.0°179.9°
C9C8C7111.4°109.5°
C9C8H3109.0°109.5°
C9C8H4109.0°109.4°
C8C7C6115.0°109.5°
C8C7H1108.1°109.5°
C8C7H2108.1°109.4°
C7C8H3109.0°109.5°
C7C8H4109.0°109.5°
C24C23C18123.8°121.6°
C24C23C22119.8°121.8°
C23C24H22120.0°120.0°
C23C24H23120.0°120.0°
C18C19C20114.0°108.3°
C19C18C23116.9°116.8°
C19C18C17119.2°121.6°
C18C19H16108.3°109.7°
C18C19H17108.3°109.7°
C19C20C21109.9°109.8°
C19C20O25108.9°109.4°
C20C19H16108.3°109.7°
C20C19H17108.3°109.7°
C19C20H18109.3°109.5°
C15C14C16119.7°120.0°
C15C14C2115.9°120.0°
C14C15H11109.5°109.4°
C14C15H12109.5°109.5°
C14C15H13109.5°109.5°
C20C21C22110.1°109.8°
C21C20O25108.7°109.4°
C21C20H18109.4°109.4°
C20C21H19109.3°109.4°
C20C21H20109.3°109.5°
C21C22C23110.9°108.3°
C21C22O26110.2°109.7°
C22C21H19109.3°109.4°
C22C21H20109.3°109.5°
C21C22H21108.2°109.7°
C18C23C22116.4°116.6°
C23C18C17123.9°121.6°
C23C22O26109.7°109.9°
C23C22H21108.4°109.5°
O26C22H21109.5°109.7°
C22O26H26109.5°114.0°
C18C17C16131.1°120.0°
C18C17H15114.5°120.0°
C17C16C14125.7°120.0°
C17C16H14117.2°120.0°
C16C17H15114.5°120.0°
C16C14C2124.4°120.0°
C14C16H14117.2°120.0°
C14C2C1120.2°120.2°
C14C2C3120.7°120.2°
O25C20H18110.5°109.4°
C20O25H25109.5°113.9°
C2C1C6120.7°119.8°
C1C2C3119.1°119.6°
C2C1H6119.6°120.1°
C1C6C7120.5°119.9°
C1C6C5119.1°120.2°
C6C1H6119.6°120.1°
C2C3C4120.4°119.8°
C2C3H9119.8°120.1°
C7C6C5120.4°119.9°
C6C7H1108.1°109.5°
C6C7H2108.0°109.5°
C6C5C4120.5°120.3°
C6C5H7119.8°119.9°
C3C4C5120.1°120.2°
C3C4H8119.9°119.9°
C4C3H9119.8°120.1°
C4C5H7119.7°119.8°
C5C4H8120.0°119.9°
H1C7H2109.5°109.4°
H3C8H4109.5°109.4°
H11C15H12109.4°109.5°
H11C15H13109.5°109.4°
H12C15H13109.4°109.5°
H16C19H17109.5°109.8°
H19C21H20109.5°109.3°
H22C24H23120.0°120.0°
H5C11H10109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F30C27F29F28116.9°120.0°
F30C27F29C12120.5°120.0°
F30C27F28C12121.3°120.0°
F30C27C12C3154.8°180.0°
F30C27C12C1165.1°60.0°
F30C27C12O13173.3°60.0°
F29C27F28C12122.7°120.0°
F29C27C12C3164.0°60.0°
F29C27C12C11176.0°180.0°
F29C27C12O1354.4°60.0°
F32C31F34C12121.4°120.0°
F32C31F34F33115.5°120.0°
F32C31C12C2754.6°60.0°
F32C31C12F33120.4°120.0°
F32C31C12C11171.7°60.0°
F32C31C12O1362.6°180.0°
F34C31C12C2764.2°60.0°
F34C31C12F33120.8°120.0°
F34C31C12C1152.9°180.0°
F34C31C12O13178.6°60.0°
F28C27C12C31175.3°60.0°
F28C27C12C1155.4°60.0°
F28C27C12O1366.2°180.0°
C27C12C31C11117.1°120.0°
C27C12C31O13117.2°120.0°
C27C12C31F33175.0°180.0°
C27C12C11O13118.4°119.9°
C27C12C11C10165.9°60.0°
C27C12O13H24180.0°180.0°
C27C12C11H573.0°60.0°
C27C12C11H1044.9°180.0°
C31C12C11O13123.9°120.1°
C31C12C11C1076.4°180.0°
C31C12O13H2462.7°60.0°
C31C12C11H544.7°60.0°
C31C12C11H10162.5°60.0°
F33C31C12C1167.9°60.0°
F33C31C12O1357.8°60.0°
C12C11C10H5121.1°120.0°
C12C11C10H10121.1°120.0°
C12C11C10C9107.2°135.9°
C11C12O13H2462.1°60.0°
C12C11H5H10116.6°119.9°
O13C12C11C1047.5°59.9°
O13C12C11H5168.6°180.0°
O13C12C11H1073.5°60.1°
C11C10C9C89.0°175.6°
C10C11H5H10116.7°120.0°
C10C9C8C7149.1°20.3°
C10C9C8H390.6°99.7°
C10C9C8H428.8°140.3°
C9C10C11H513.9°15.9°
C9C10C11H10131.7°104.1°
C9C8C7H3120.2°120.0°
C9C8C7H4120.3°120.0°
C9C8C7C666.9°180.0°
C9C8C7H153.9°60.0°
C9C8C7H2172.3°60.0°
C9C8H3H4119.2°119.9°
C8C7C6C170.0°90.0°
C8C7C6H1120.8°120.1°
C8C7C6H2120.8°120.0°
C8C7C6C5111.2°90.0°
C8C7H1H2117.5°120.0°
C7C8H3H4119.1°120.0°
C24C23C18C19141.9°136.6°
C24C23C22C21131.7°133.2°
C24C23C18C22177.3°179.8°
C24C23C22O269.9°107.0°
C24C23C18C1735.1°43.0°
C24C23C22H21109.6°13.6°
C23C24H22H23180.0°180.0°
C18C19C20H16120.7°119.7°
C18C19C20H17120.6°119.7°
C18C19C20C2150.1°57.7°
C19C18C23C17177.0°179.7°
C19C18C23C2235.4°43.6°
C19C18C17C16178.5°180.0°
C18C19C20O2568.9°177.8°
C19C18C17H151.5°0.0°
C18C19H16H17117.9°120.5°
C18C19C20H18170.2°62.4°
C19C20C21O25119.2°120.0°
C19C20C21H18120.1°120.2°
C19C20C21C2261.3°66.3°
C20C19C18C2337.5°46.9°
C20C19C18C17145.3°133.4°
C19C20O25H18120.2°119.9°
C20C19H16H17118.0°120.6°
C19C20C21H1958.8°173.7°
C19C20C21H20178.6°53.9°
C19C20O25H25180.0°60.0°
C15C14C16C170.7°0.1°
C15C14C16C2179.6°179.9°
C15C14C2C1155.4°65.0°
C15C14C2C325.4°115.0°
C14C15H11H12120.0°120.0°
C14C15H11H13120.1°119.9°
C14C15H12H13120.0°120.0°
C15C14C16H14179.3°180.0°
C20C21C22H19120.1°120.0°
C20C21C22H20120.1°120.2°
C20C21C22C2358.7°57.9°
C20C21C22O26179.8°62.1°
C21C20O25H18120.1°119.8°
C21C20C19H1670.6°177.4°
C21C20C19H17170.7°62.0°
C20C21H19H20119.7°119.9°
C20C21C22H2160.1°177.3°
C21C20O25H2560.2°179.7°
C21C22C23C1845.6°47.0°
C21C22C23O26121.9°119.8°
C21C22C23H21118.7°119.5°
C21C22O26H21118.9°120.6°
C22C21C20O2557.8°173.7°
C22C21C20H18178.6°53.9°
C22C21H19H20119.7°119.9°
C21C22O26H26180.0°180.0°
C18C23C22O26167.5°72.8°
C23C18C17C161.6°0.3°
C23C18C17H15178.4°179.7°
C23C18C19H1683.1°166.6°
C23C18C19H17158.2°72.8°
C18C23C22H2173.0°166.6°
C18C23C24H22177.2°0.1°
C18C23C24H232.8°180.0°
C23C22O26H21118.8°120.5°
C22C23C18C17147.6°136.8°
C23C22C21H1961.4°178.0°
C23C22C21H20178.8°62.3°
C22C23C24H220.0°179.8°
C22C23C24H23180.0°0.2°
C23C22O26H2657.8°61.0°
O26C22C21H1960.1°58.0°
O26C22C21H2059.7°177.8°
C18C17C16H15180.0°180.0°
C18C17C16C14156.3°179.9°
C18C17C16H1423.7°0.0°
C17C18C19H1694.0°13.7°
C17C18C19H1724.7°106.9°
C17C16C14H14180.0°179.9°
C17C16C14C2179.7°180.0°
C16C14C2C125.0°114.9°
C16C14C2C3154.2°65.1°
C16C14C15H11180.0°90.0°
C16C14C15H1260.0°149.9°
C16C14C15H1360.0°29.9°
C14C16C17H1523.7°0.0°
C14C2C1C3179.2°180.0°
C14C2C1C6178.7°180.0°
C14C2C3C4178.4°180.0°
C14C2C1H61.3°0.3°
C14C2C3H91.5°0.0°
C2C14C15H110.4°90.0°
C2C14C15H12119.6°30.0°
C2C14C15H13120.4°150.0°
C2C14C16H140.3°0.1°
O25C20C19H16170.4°62.6°
O25C20C19H1751.7°58.1°
O25C20C21H19177.9°53.6°
O25C20C21H2062.3°66.1°
C2C1C6H6180.0°179.7°
C2C1C6C7178.7°180.0°
C2C1C6C50.2°0.0°
C1C2C3C40.7°0.0°
C1C2C3H9179.3°180.0°
C6C1C2C30.4°0.0°
C1C6C7C5178.8°180.0°
C1C6C5C40.2°0.0°
C1C6C7H1169.2°30.1°
C1C6C7H250.8°150.0°
C1C6C5H7179.8°180.0°
C2C3C4H9180.0°180.0°
C2C3C4C50.7°0.0°
C3C2C1H6179.6°179.7°
C2C3C4H8179.3°180.0°
C7C6C5C4178.6°180.0°
C6C7H1H2117.5°120.0°
C6C7C8H3172.9°60.0°
C6C7C8H453.4°60.0°
C7C6C1H61.3°0.3°
C7C6C5H71.4°0.0°
C6C5C4C30.5°0.1°
C6C5C4H7180.0°179.9°
C5C6C7H19.6°149.9°
C5C6C7H2128.0°30.0°
C5C6C1H6179.8°179.7°
C6C5C4H8179.5°180.0°
C3C4C5H8180.0°180.0°
C3C4C5H7179.5°180.0°
C5C4C3H9179.3°180.0°
H1C7C8H366.3°60.1°
H1C7C8H4174.2°180.0°
H2C7C8H352.1°180.0°
H2C7C8H467.4°60.0°
H7C5C4H80.5°0.0°
H8C4C3H90.7°0.0°
H11C15H12H13120.0°120.0°
H14C16C17H15156.3°179.9°
H16C19C20H1849.5°57.2°
H17C19C20H1869.2°177.9°
H18C20C21H1961.3°66.1°
H18C20C21H2058.5°174.1°
H18C20O25H2559.8°59.8°
H19C21C22H21179.8°62.6°
H20C21C22H2160.0°57.2°
H21C22O26H2661.0°59.5°

246905

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