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XSK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01N02sing1.49Å1.47Å
N02C03sing1.50Å1.48Å
C01C04sing1.49Å1.48Å
C03C05sing1.51Å1.49Å
C04C05sing1.58Å1.42Å
C05C06sing1.51Å1.52Å
C06N07sing1.50Å1.48Å
C04C08sing1.50Å1.54Å
N07C08sing1.49Å1.49Å
N07C11sing1.35Å1.45Å
C11C12sing1.48Å1.50Å
C11O13doub1.22Å1.23Å
C12C14doub1.40Å1.40ÅAromatic
C14C15sing1.36Å1.41ÅAromatic
C12C16sing1.39Å1.37ÅAromatic
C16C17doub1.40Å1.43ÅAromatic
C15C18doub1.39Å1.42ÅAromatic
C17C18sing1.41Å1.36ÅAromatic
C18N19sing1.37Å1.38ÅAromatic
N19N20sing1.40Å1.37ÅAromatic
C17N21sing1.35Å1.37ÅAromatic
N20N21doub1.29Å1.37ÅAromatic
N02C22sing1.35Å1.45Å
C22C23sing1.51Å1.55Å
C22O24doub1.21Å1.20Å
C23O25sing1.43Å1.40Å
O25C26sing1.36Å1.36Å
C26C27doub1.39Å1.39ÅAromatic
C27C28sing1.38Å1.38ÅAromatic
C28C29doub1.39Å1.40ÅAromatic
C29C30sing1.39Å1.41ÅAromatic
C26C31sing1.39Å1.41ÅAromatic
C30C31doub1.38Å1.40ÅAromatic
C29O32sing1.36Å1.39Å
O32C33sing1.43Å1.34Å
C33F34sing1.40Å1.33Å
C33F35sing1.40Å1.33Å
C33F36sing1.40Å1.32Å
C01H38sing1.09Å1.10Å
C01H37sing1.09Å1.10Å
C04H09sing1.09Å1.10Å
C05H10sing1.09Å1.10Å
C06H41sing1.09Å1.10Å
C06H42sing1.09Å1.10Å
C15H46sing1.08Å1.08Å
C16H47sing1.08Å1.08Å
C23H49sing1.09Å1.10Å
C23H50sing1.09Å1.10Å
C27H51sing1.08Å1.08Å
C28H52sing1.08Å1.08Å
C03H39sing1.09Å1.10Å
C03H40sing1.09Å1.10Å
C08H44sing1.09Å1.10Å
C08H43sing1.09Å1.10Å
C14H45sing1.08Å1.08Å
N19H48sing0.97Å1.00Å
C30H53sing1.08Å1.08Å
C31H54sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01N02C03107.8°107.7°
N02C01C04101.2°104.6°
C01N02C22125.1°126.2°
N02C01H38111.5°110.4°
N02C01H37111.5°110.4°
N02C03C0597.0°102.4°
C03N02C22126.9°126.1°
N02C03H39112.5°110.8°
N02C03H40112.5°110.9°
C01C04C05100.5°100.7°
C01C04C08122.8°129.3°
C04C01H38111.5°110.4°
C04C01H37111.5°110.4°
C01C04H09109.8°108.6°
C03C05C0498.8°97.8°
C03C05C06127.0°124.1°
C03C05H10107.9°111.7°
C05C03H39112.5°110.8°
C05C03H40112.5°110.8°
C04C05C06105.7°97.8°
C05C04C08103.2°100.6°
C05C04H09110.6°107.5°
C04C05H10108.7°111.9°
C05C06N07101.7°102.4°
C06C05H10107.5°111.2°
C05C06H41111.4°110.8°
C05C06H42111.4°110.8°
C06N07C08109.8°107.8°
C06N07C11128.8°126.1°
N07C06H41111.4°110.8°
N07C06H42111.4°110.8°
C04C08N07102.5°104.6°
C08C04H09109.0°107.9°
C04C08H44111.2°110.4°
C04C08H43111.2°110.4°
C08N07C11121.4°126.1°
N07C08H44111.2°110.4°
N07C08H43111.2°110.4°
N07C11C12127.5°120.0°
N07C11O13115.5°120.0°
C12C11O13116.7°120.1°
C11C12C14124.2°119.9°
C11C12C16115.7°119.9°
C12C14C15120.1°120.5°
C14C12C16119.9°120.2°
C12C14H45119.9°119.7°
C14C15C18119.7°120.2°
C14C15H46120.1°120.0°
C15C14H45119.9°119.8°
C12C16C17120.2°119.6°
C12C16H47119.9°120.2°
C16C17C18120.4°119.4°
C16C17N21131.4°133.1°
C17C16H47119.9°120.3°
C15C18C17119.5°120.2°
C15C18N19132.5°133.7°
C18C15H46120.1°119.9°
C17C18N19107.9°106.1°
C18C17N21108.2°107.6°
C18N19N20107.7°106.7°
C18N19H48126.2°126.6°
N19N20N21108.3°109.5°
N20N19H48126.2°126.6°
C17N21N20107.9°110.2°
N02C22C23121.0°120.0°
N02C22O24120.4°120.0°
C23C22O24118.6°120.0°
C22C23O25107.7°109.5°
C22C23H49109.9°109.5°
C22C23H50109.9°109.4°
C23O25C26118.2°117.0°
O25C23H49109.9°109.5°
O25C23H50109.9°109.5°
O25C26C27115.4°120.0°
O25C26C31122.1°120.0°
C26C27C28117.9°120.0°
C27C26C31122.4°120.0°
C26C27H51121.1°120.0°
C27C28C29121.3°120.0°
C28C27H51121.0°120.0°
C27C28H52119.4°120.0°
C28C29C30120.9°120.0°
C28C29O32116.0°120.0°
C29C28H52119.3°120.0°
C29C30C31118.4°120.0°
C30C29O32123.1°120.0°
C29C30H53120.8°120.0°
C26C31C30119.0°120.0°
C26C31H54120.5°120.0°
C31C30H53120.8°120.0°
C30C31H54120.5°120.0°
C29O32C33119.9°117.0°
O32C33F34108.0°109.5°
O32C33F35111.6°109.5°
O32C33F36107.6°109.5°
F34C33F35109.4°109.5°
F34C33F36114.6°109.4°
F35C33F36105.8°109.5°
H38C01H37109.5°110.5°
H41C06H42109.5°110.9°
H49C23H50109.4°109.4°
H39C03H40109.5°110.9°
H44C08H43109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01N02C03C22176.3°180.0°
N02C01C04H38118.6°118.8°
N02C01C04H37118.6°118.8°
C01N02C03C0529.5°25.8°
N02C01C04C0537.4°35.0°
N02C01C04C08150.7°148.4°
C01N02C22C23177.9°180.0°
C01N02C22O242.1°0.0°
N02C01H38H37123.9°122.4°
N02C01C04H0979.2°77.7°
C01N02C03H39147.4°92.4°
C01N02C03H4088.4°144.0°
C03N02C01C043.6°6.8°
N02C03C05H39117.9°118.2°
N02C03C05H40117.9°118.3°
N02C03C05C0452.8°45.6°
N02C03C05C06170.1°150.6°
C03N02C22C232.2°0.0°
C03N02C22O24177.8°180.0°
C03N02C01H38122.2°112.0°
C03N02C01H37115.0°125.6°
N02C03C05H1060.2°71.8°
N02C03H39H40125.9°123.5°
C01C04C05C0357.4°50.1°
C01C04C05C08127.6°133.7°
C01C04C05H09116.0°113.5°
C01C04C05C06170.0°176.3°
C01C04C08H09130.4°134.1°
C01C04C08N07145.4°148.4°
C04C01N02C22180.0°173.2°
C04C01H38H37123.9°122.4°
C01C04C05H1054.9°67.1°
C01C04C08H4495.7°92.8°
C01C04C08H4326.5°29.6°
C03C05C04C06132.5°126.2°
C03C05C04H10112.4°117.2°
C03C05C06H10129.8°137.8°
C03C05C06N07148.4°150.7°
C03C05C04C08175.0°176.2°
C05C03N02C22146.8°154.2°
C03C05C04H0958.5°63.5°
C03C05C06H4192.8°91.1°
C03C05C06H4229.7°32.4°
C05C03H39H40125.8°123.5°
C04C05C06H10116.0°117.2°
C04C05C06N0734.2°45.6°
C05C04C08H09117.6°112.5°
C05C04C08N0733.4°35.0°
C05C04C01H38156.0°83.7°
C05C04C01H3781.2°153.8°
C04C05C06H41153.0°163.9°
C04C05C06H4284.5°72.6°
C04C05C03H39170.7°72.6°
C04C05C03H4065.1°163.9°
C05C04C08H44152.3°153.8°
C05C04C08H4385.5°83.8°
C05C06N07H41118.7°118.2°
C05C06N07H42118.8°118.2°
C06C05C04C0842.5°50.1°
C05C06N07C0812.1°25.8°
C05C06N07C11168.1°154.2°
C06C05C04H0974.0°62.7°
C05C06H41H42123.6°123.5°
C06C05C03H3972.0°32.5°
C06C05C03H4052.2°91.1°
C06N07C08C0412.1°6.7°
C06N07C08C11179.9°180.0°
C06N07C11C125.4°174.6°
C06N07C11O13179.1°5.4°
N07C06C05H1081.7°71.5°
N07C06H41H42123.6°123.6°
C06N07C08H44131.0°125.5°
C06N07C08H43106.7°112.0°
C04C08N07H44118.9°118.8°
C04C08N07H43118.9°118.8°
C04C08N07C11167.7°173.2°
C08C04C01H3890.7°29.6°
C08C04C01H3732.1°92.8°
C08C04C05H1072.6°66.6°
C04C08H44H43123.2°122.4°
C08N07C11C12174.8°5.5°
C08N07C11O131.1°174.6°
N07C08C04H0984.2°77.5°
C08N07C06H41130.8°144.1°
C08N07C06H42106.7°92.3°
N07C08H44H43123.2°122.4°
N07C11C12O13173.6°180.0°
N07C11C12C14124.5°146.7°
N07C11C12C1661.0°33.8°
C11N07C06H4149.3°36.0°
C11N07C06H4273.2°87.6°
C11N07C08H4448.8°54.5°
C11N07C08H4373.4°68.0°
C11C12C14C16174.3°179.5°
C11C12C14C15177.4°180.0°
C11C12C16C17177.8°179.8°
C11C12C16H472.2°0.2°
C11C12C14H452.6°0.1°
O13C11C12C1461.8°33.3°
O13C11C12C16112.7°146.2°
C12C14C15H45180.0°179.9°
C14C12C16C173.1°0.8°
C12C14C15C181.4°0.1°
C12C14C15H46178.6°179.7°
C14C12C16H47176.9°179.7°
C15C14C12C163.1°0.6°
C14C15C18H46180.0°179.8°
C14C15C18C170.3°0.2°
C14C15C18N19179.3°179.7°
C12C16C17H47180.0°179.6°
C12C16C17C181.4°0.5°
C12C16C17N21178.0°179.5°
C16C12C14H45176.9°179.5°
C16C17C18C150.4°0.0°
C16C17C18N21179.5°180.0°
C16C17C18N19179.6°179.9°
C16C17N21N20178.9°180.0°
C15C18C17N19179.2°179.9°
C15C18N19N20178.9°180.0°
C15C18C17N21179.9°180.0°
C18C15C14H45178.6°180.0°
C15C18N19H481.1°0.1°
C17C18N19N200.1°0.1°
C18C17N21N201.6°0.0°
C17C18C15H46179.6°180.0°
C18C17C16H47178.6°179.9°
C17C18N19H48179.9°179.9°
C18N19N20H48180.0°179.9°
N19C18C17N210.9°0.1°
C18N19N20N211.1°0.1°
N19C18C15H460.7°0.1°
N19N20N21C171.7°0.0°
N21C17C16H472.0°0.1°
N21N20N19H48178.9°179.9°
N02C22C23O24180.0°180.0°
N02C22C23O2557.2°180.0°
C22N02C01H3861.4°68.0°
C22N02C01H3761.3°54.4°
N02C22C23H4962.5°60.0°
N02C22C23H50176.9°60.0°
C22N02C03H3928.9°87.6°
C22N02C03H4095.3°35.9°
C22C23O25H49119.7°120.0°
C22C23O25H50119.8°120.0°
C22C23O25C26178.8°180.0°
C22C23H49H50120.8°119.9°
O24C22C23O25122.8°0.0°
O24C22C23H49117.5°120.1°
O24C22C23H503.0°120.0°
C23O25C26C27172.6°180.0°
C23O25C26C317.0°0.2°
O25C23H49H50120.8°120.0°
O25C26C27C31179.7°179.8°
O25C26C27C28179.4°179.8°
O25C26C31C30179.5°179.8°
C26O25C23H4959.0°60.0°
C26O25C23H5061.5°60.0°
O25C26C27H510.6°0.2°
O25C26C31H540.5°0.2°
C26C27C28H51180.0°180.0°
C26C27C28C290.0°0.0°
C27C26C31C300.2°0.0°
C26C27C28H52180.0°179.9°
C27C26C31H54179.8°180.0°
C27C28C29H52180.0°179.9°
C27C28C29C300.4°0.1°
C28C27C26C310.3°0.0°
C27C28C29O32179.5°180.0°
C28C29C30O32179.1°179.9°
C28C29C30C310.5°0.2°
C28C29O32C33163.8°180.0°
C29C28C27H51180.0°179.9°
C28C29C30H53179.5°180.0°
C29C30C31C260.2°0.1°
C29C30C31H53180.0°179.8°
C30C29O32C3317.1°0.1°
C30C29C28H52179.6°180.0°
C29C30C31H54179.8°179.9°
C26C31C30H54180.0°179.9°
C31C26C27H51179.7°180.0°
C26C31C30H53179.8°180.0°
C31C30C29O32179.6°179.9°
C29O32C33F34176.3°59.9°
C29O32C33F3556.1°180.0°
C29O32C33F3659.6°60.0°
O32C29C28H520.5°0.1°
O32C29C30H530.4°0.1°
O32C33F34F35121.6°120.0°
O32C33F34F36119.9°120.0°
O32C33F35F36116.8°120.0°
F34C33F35F36123.9°120.0°
H38C01C04H0939.4°163.5°
H37C01C04H09162.2°41.1°
H09C04C05H10170.9°179.3°
H09C04C08H4434.7°41.3°
H09C04C08H43156.9°163.7°
H10C05C06H4137.0°46.7°
H10C05C06H42159.6°170.3°
H10C05C03H3957.7°170.1°
H10C05C03H40178.1°46.5°
H46C15C14H451.4°0.2°
H51C27C28H520.0°0.0°
H53C30C31H540.2°0.1°

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