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XG6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C1C6sing1.53Å1.53Å
C2N3sing1.47Å1.47Å
N3C4sing1.47Å1.47Å
N3C21sing1.35Å1.38Å
C4C5sing1.53Å1.52Å
C5C6sing1.53Å1.53Å
C6O7sing1.43Å1.44Å
C6C8sing1.53Å1.54Å
C8N9sing1.46Å1.46Å
N9C10sing1.35Å1.41Å
C10C11sing1.48Å1.47Å
C10O12doub1.22Å1.28Å
C11C13doub1.39Å1.40ÅAromatic
C11C15sing1.40Å1.39ÅAromatic
C13C17sing1.40Å1.45ÅAromatic
C14C16sing1.39Å1.37ÅAromatic
C14C15doub1.36Å1.35ÅAromatic
C16C17doub1.41Å1.44ÅAromatic
C16N20sing1.37Å1.40ÅAromatic
C17N18sing1.35Å1.44ÅAromatic
N18N19doub1.29Å1.32ÅAromatic
N19N20sing1.40Å1.40ÅAromatic
C21O30sing1.35Å1.40Å
C21O22doub1.22Å1.24Å
C23C24doub1.39Å1.40ÅAromatic
C23C28sing1.39Å1.39ÅAromatic
C23O31sing1.36Å1.37Å
C24C25sing1.38Å1.40ÅAromatic
C25C26doub1.38Å1.41ÅAromatic
C26C27sing1.38Å1.40ÅAromatic
C26C29sing1.51Å1.51Å
C27C28doub1.38Å1.39ÅAromatic
C29O30sing1.45Å1.43Å
O31C32sing1.43Å1.34Å
C32F33sing1.40Å1.31Å
C32F34sing1.40Å1.31Å
C32F35sing1.40Å1.33Å
C13H48sing1.08Å1.08Å
C15H50sing1.08Å1.08Å
C24H52sing1.08Å1.08Å
C25H53sing1.08Å1.08Å
C27H54sing1.08Å1.08Å
C28H55sing1.08Å1.08Å
C1H36sing1.09Å1.10Å
C1H37sing1.09Å1.10Å
C2H38sing1.09Å1.10Å
C2H39sing1.09Å1.10Å
C4H41sing1.09Å1.10Å
C4H40sing1.09Å1.10Å
C5H42sing1.09Å1.10Å
C5H43sing1.09Å1.10Å
O7H44sing0.97Å0.95Å
C8H46sing1.09Å1.10Å
C8H45sing1.09Å1.10Å
N9H47sing0.97Å1.00Å
C14H49sing1.08Å1.08Å
N20H51sing0.97Å1.00Å
C29H57sing1.09Å1.10Å
C29H56sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6112.6°109.3°
C1C2N3111.2°108.8°
C2C1H36108.7°109.5°
C2C1H37108.7°109.5°
C1C2H38109.1°109.6°
C1C2H39109.0°109.6°
C1C6C5109.4°109.5°
C1C6O7108.9°109.5°
C1C6C8107.2°109.5°
C6C1H36108.7°109.5°
C6C1H37108.7°109.6°
C2N3C4115.3°118.7°
C2N3C21118.7°120.6°
N3C2H38109.0°109.6°
N3C2H39109.0°109.6°
C4N3C21126.0°120.7°
N3C4C5110.8°108.8°
N3C4H41109.1°109.6°
N3C4H40109.1°109.6°
N3C21O30115.7°120.0°
N3C21O22123.4°120.0°
C4C5C6112.4°109.4°
C5C4H41109.2°109.6°
C5C4H40109.1°109.6°
C4C5H42108.7°109.5°
C4C5H43108.7°109.5°
C5C6O7108.1°109.4°
C5C6C8118.6°109.5°
C6C5H42108.7°109.5°
C6C5H43108.8°109.5°
O7C6C8104.3°109.5°
C6O7H44109.5°114.0°
C6C8N9119.1°109.5°
C6C8H46107.0°109.5°
C6C8H45107.0°109.5°
C8N9C10112.2°120.0°
N9C8H46107.0°109.4°
N9C8H45107.0°109.4°
C8N9H47123.9°120.0°
N9C10C11124.0°120.0°
N9C10O12120.1°120.0°
C10N9H47123.9°120.0°
C11C10O12115.9°120.1°
C10C11C13121.9°119.8°
C10C11C15116.6°119.9°
C13C11C15121.3°120.3°
C11C13C17114.3°119.5°
C11C13H48122.8°120.3°
C11C15C14124.8°120.4°
C11C15H50117.6°119.8°
C13C17C16121.7°119.4°
C13C17N18133.3°133.1°
C17C13H48122.9°120.2°
C16C14C15117.5°120.2°
C14C16C17120.3°120.2°
C14C16N20131.5°133.7°
C16C14H49121.2°119.9°
C14C15H50117.6°119.8°
C15C14H49121.3°119.9°
C17C16N20108.2°106.1°
C16C17N18105.0°107.6°
C16N20N19106.2°106.7°
C16N20H51126.9°126.6°
C17N18N19108.6°110.2°
N18N19N20112.1°109.5°
N19N20H51126.9°126.7°
O30C21O22120.9°120.0°
C21O30C29113.4°117.0°
C24C23C28124.0°119.9°
C24C23O31112.9°120.0°
C23C24C25117.7°119.9°
C23C24H52121.1°120.0°
C28C23O31123.1°120.1°
C23C28C27117.6°119.9°
C23C28H55121.2°120.0°
C23O31C32119.5°117.0°
C24C25C26119.1°120.0°
C25C24H52121.1°120.0°
C24C25H53120.4°120.0°
C25C26C27121.5°120.2°
C25C26C29120.7°119.9°
C26C25H53120.5°120.0°
C27C26C29117.7°119.9°
C26C27C28120.0°120.1°
C26C27H54120.0°120.0°
C26C29O30108.3°109.5°
C26C29H57109.8°109.5°
C26C29H56109.7°109.5°
C28C27H54120.0°120.0°
C27C28H55121.2°120.0°
O30C29H57109.8°109.4°
O30C29H56109.7°109.5°
O31C32F33113.3°109.4°
O31C32F34112.0°109.4°
O31C32F35109.6°109.5°
F33C32F34105.8°109.5°
F33C32F35106.8°109.5°
F34C32F35109.1°109.5°
H36C1H37109.4°109.5°
H38C2H39109.5°109.7°
H41C4H40109.5°109.7°
H42C5H43109.5°109.4°
H46C8H45109.5°109.5°
H57C29H56109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H36120.5°119.9°
C2C1C6H37120.5°120.0°
C1C2N3H38120.3°119.8°
C1C2N3H39120.3°119.8°
C1C2N3C452.9°53.6°
C1C2N3C21127.8°126.4°
C2C1C6C553.4°61.4°
C2C1C6O764.5°58.6°
C2C1C6C8176.7°178.6°
C2C1H36H37118.6°120.0°
C1C2H38H39119.2°120.4°
C6C1C2N352.4°54.7°
C1C6C5C454.2°61.4°
C1C6C5O7118.4°120.0°
C1C6C5C8123.3°120.0°
C1C6O7C8114.2°120.0°
C1C6C8N9175.8°180.0°
C6C1H36H37118.5°120.1°
C6C1C2H38172.7°174.5°
C6C1C2H3967.8°65.1°
C1C6C5H4266.2°58.7°
C1C6C5H43174.7°178.6°
C1C6O7H44180.0°180.0°
C1C6C8H4662.9°60.1°
C1C6C8H4554.4°60.0°
C2N3C4C21179.3°180.0°
C2N3C4C553.6°53.6°
C2N3C21O30179.3°180.0°
C2N3C21O220.8°0.0°
N3C2C1H36172.9°174.6°
N3C2C1H3768.1°65.3°
N3C2H38H39119.2°120.3°
C2N3C4H41173.8°173.4°
C2N3C4H4066.6°66.2°
N3C4C5H41120.2°119.8°
N3C4C5H40120.2°119.8°
N3C4C5C654.0°54.6°
C4N3C21O300.0°0.1°
C4N3C21O22179.9°180.0°
C4N3C2H38173.1°173.4°
C4N3C2H3967.4°66.2°
N3C4H41H40119.4°120.3°
N3C4C5H4266.4°65.4°
N3C4C5H43174.5°174.7°
C21N3C4C5127.2°126.4°
N3C21O30O22179.9°180.0°
N3C21O30C29107.9°180.0°
C21N3C2H387.5°6.5°
C21N3C2H39111.9°113.8°
C21N3C4H416.9°6.5°
C21N3C4H40112.7°113.8°
C4C5C6H42120.4°120.0°
C4C5C6H43120.4°120.0°
C4C5C6O764.2°58.6°
C4C5C6C8177.5°178.6°
C5C4H41H40119.4°120.4°
C4C5H42H43118.7°120.1°
C5C6O7C8127.1°120.0°
C5C6C8N951.4°60.0°
C5C6C1H36173.9°178.7°
C5C6C1H3767.1°58.6°
C6C5C4H41174.2°174.4°
C6C5C4H4066.2°65.2°
C6C5H42H43118.7°120.0°
C5C6O7H4461.3°60.0°
C5C6C8H46172.7°179.9°
C5C6C8H4570.0°60.0°
O7C6C8N968.9°60.0°
O7C6C1H3656.0°61.3°
O7C6C1H37175.0°178.6°
O7C6C5H42175.4°178.7°
O7C6C5H4356.3°61.4°
O7C6C8H4652.5°60.0°
O7C6C8H45169.8°180.0°
C6C8N9H46121.4°120.0°
C6C8N9H45121.3°120.1°
C6C8N9C10121.1°180.0°
C8C6C1H3656.3°58.7°
C8C6C1H3762.8°61.4°
C8C6C5H4257.1°61.3°
C8C6C5H4362.0°58.6°
C8C6O7H4465.8°60.0°
C6C8H46H45115.6°120.1°
C6C8N9H4758.9°0.0°
C8N9C10H47180.0°180.0°
C8N9C10C11177.5°180.0°
C8N9C10O120.3°0.3°
N9C8H46H45115.6°119.9°
N9C10C11O12177.9°179.7°
N9C10C11C1339.9°179.7°
N9C10C11C15144.8°0.6°
C10N9C8H46117.5°60.0°
C10N9C8H450.2°60.0°
C10C11C13C15175.1°179.7°
C10C11C13C17177.6°180.0°
C10C11C15C14178.8°180.0°
C10C11C13H482.4°0.1°
C10C11C15H501.2°0.0°
C11C10N9H472.5°0.0°
O12C10C11C13138.1°0.0°
O12C10C11C1537.3°179.7°
O12C10N9H47179.7°179.7°
C11C13C17H48180.0°180.0°
C13C11C15C143.5°0.3°
C11C13C17C161.5°0.0°
C11C13C17N18178.7°180.0°
C13C11C15H50176.5°179.7°
C15C11C13C172.5°0.3°
C11C15C14C163.1°0.0°
C11C15C14H50180.0°180.0°
C15C11C13H48177.5°179.7°
C11C15C14H49176.9°179.7°
C13C17C16C141.3°0.2°
C13C17C16N18179.8°180.0°
C13C17C16N20179.2°180.0°
C13C17N18N19179.9°180.0°
C16C14C15H49180.0°179.8°
C14C16C17N20179.5°179.8°
C14C16C17N18178.8°179.8°
C14C16N20N19178.3°179.7°
C16C14C15H50176.9°180.0°
C14C16N20H511.7°0.2°
C15C14C16C172.0°0.2°
C15C14C16N20178.7°179.9°
C16C17N18N190.1°0.0°
C17C16N20N191.1°0.0°
C16C17C13H48178.5°180.0°
C17C16C14H49178.0°180.0°
C17C16N20H51178.9°180.0°
N20C16C17N180.6°0.0°
C16N20N19N181.2°0.0°
C16N20N19H51180.0°179.9°
N20C16C14H491.3°0.3°
C17N18N19N200.8°0.0°
N18C17C13H481.3°0.0°
N18N19N20H51178.8°180.0°
C21O30C29C26179.7°180.0°
C21O30C29H5760.5°60.0°
C21O30C29H5659.9°59.9°
O22C21O30C2972.2°0.0°
C24C23C28O31179.6°179.8°
C23C24C25H52180.0°179.9°
C23C24C25C260.7°0.1°
C24C23C28C270.3°0.1°
C24C23O31C32115.3°180.0°
C23C24C25H53179.2°180.0°
C24C23C28H55179.7°180.0°
C28C23C24C251.0°0.0°
C23C28C27C260.7°0.1°
C23C28C27H55180.0°179.9°
C28C23O31C3264.4°0.2°
C28C23C24H52179.0°179.9°
C23C28C27H54179.3°180.0°
O31C23C24C25179.3°179.8°
O31C23C28C27179.9°179.7°
C23O31C32F3347.1°60.0°
C23O31C32F34166.6°180.0°
C23O31C32F3572.2°60.0°
O31C23C24H520.7°0.3°
O31C23C28H550.1°0.2°
C24C25C26H53180.0°179.9°
C24C25C26C270.2°0.0°
C24C25C26C29178.8°180.0°
C25C26C27C29178.7°180.0°
C25C26C27C281.0°0.1°
C25C26C29O3044.7°90.0°
C26C25C24H52179.2°180.0°
C25C26C27H54179.1°180.0°
C25C26C29H57164.6°150.0°
C25C26C29H5675.1°30.0°
C26C27C28H54180.0°179.9°
C27C26C29O30136.6°90.0°
C27C26C25H53179.8°180.0°
C26C27C28H55179.3°180.0°
C27C26C29H5716.7°30.0°
C27C26C29H56103.6°150.0°
C29C26C27C28179.6°179.9°
C26C29O30H57119.8°120.0°
C26C29O30H56119.8°120.0°
C29C26C25H531.2°0.0°
C29C26C27H540.4°0.0°
C26C29H57H56120.5°120.1°
O30C29H57H56120.5°120.0°
O31C32F33F34123.1°120.0°
O31C32F33F35120.8°120.0°
O31C32F34F35121.6°120.0°
F33C32F34F35114.6°120.0°
H50C15C14H493.1°0.3°
H52C24C25H530.8°0.1°
H54C27C28H550.7°0.1°
H36C1C2H3866.9°65.6°
H36C1C2H3952.6°54.8°
H37C1C2H3852.2°54.5°
H37C1C2H39171.7°174.9°
H41C4C5H4253.8°54.4°
H41C4C5H4365.3°65.6°
H40C4C5H42173.4°174.8°
H40C4C5H4354.3°54.9°
H46C8N9H4762.5°120.0°
H45C8N9H47179.8°120.0°

251174

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