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78M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O21C20sing1.43Å1.44Å
C20C18sing1.53Å1.53Å
C18O19sing1.43Å1.43Å
C18C17sing1.53Å1.53Å
C17O2sing1.45Å1.42Å
O2C1sing1.34Å1.46Å
C1O1doub1.21Å1.21Å
C1C2sing1.51Å1.51Å
C2C3sing1.53Å1.53Å
C3C4sing1.53Å1.53Å
C4C5sing1.53Å1.53Å
C5C6sing1.53Å1.52Å
C6C7sing1.51Å1.51Å
C7C8doub1.31Å1.33Å
C8C9sing1.51Å1.51Å
C9C10sing1.53Å1.52Å
C10C11sing1.53Å1.52Å
C11C12sing1.53Å1.52Å
C12C13sing1.53Å1.52Å
C15C14sing1.53Å1.52Å
C13C14sing1.53Å1.53Å
O21H21sing0.97Å0.95Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
O19H19sing0.97Å0.95Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C2H21Csing1.09Å1.10Å
C2H22Csing1.09Å1.10Å
C3H31Csing1.09Å1.10Å
C3H32Csing1.09Å1.10Å
C4H41Csing1.09Å1.10Å
C4H42Csing1.09Å1.10Å
C5H51Csing1.09Å1.10Å
C5H52Csing1.09Å1.10Å
C6H61Csing1.09Å1.10Å
C6H62Csing1.09Å1.10Å
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H91Csing1.09Å1.10Å
C9H92Csing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C15H153sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O21C20C18109.7°109.5°
C20O21H21109.5°114.0°
O21C20H201109.4°109.5°
O21C20H202109.4°109.5°
C20C18O19108.0°109.5°
C20C18C17112.1°109.5°
C18C20H201109.4°109.5°
C18C20H202109.4°109.5°
C20C18H18109.0°109.5°
O19C18C17108.3°109.5°
O19C18H18110.4°109.4°
C18O19H19109.5°114.0°
C18C17O2107.8°109.5°
C17C18H18109.0°109.4°
C18C17H171109.9°109.5°
C18C17H172109.9°109.5°
C17O2C1123.7°117.0°
O2C17H171109.9°109.5°
O2C17H172109.9°109.5°
O2C1O1118.3°120.0°
O2C1C2122.4°120.0°
O1C1C2119.2°120.0°
C1C2C3109.7°109.5°
C1C2H21C109.4°109.5°
C1C2H22C109.4°109.5°
C2C3C4115.4°109.5°
C3C2H21C109.4°109.5°
C3C2H22C109.4°109.5°
C2C3H31C108.0°109.5°
C2C3H32C108.0°109.5°
C3C4C5110.6°109.5°
C4C3H31C108.0°109.5°
C4C3H32C108.0°109.4°
C3C4H41C109.2°109.5°
C3C4H42C109.2°109.4°
C4C5C6113.6°109.5°
C5C4H41C109.2°109.5°
C5C4H42C109.1°109.5°
C4C5H51C108.4°109.4°
C4C5H52C108.5°109.4°
C5C6C7109.8°109.5°
C6C5H51C108.5°109.5°
C6C5H52C108.4°109.5°
C5C6H61C109.4°109.5°
C5C6H62C109.4°109.4°
C6C7C8119.7°120.0°
C7C6H61C109.4°109.5°
C7C6H62C109.4°109.5°
C6C7H7120.1°120.0°
C7C8C9119.6°120.0°
C8C7H7120.1°120.0°
C7C8H8120.2°120.0°
C8C9C10110.8°109.5°
C9C8H8120.2°120.0°
C8C9H91C109.2°109.5°
C8C9H92C109.1°109.5°
C9C10C11110.5°109.5°
C10C9H91C109.2°109.4°
C10C9H92C109.1°109.5°
C9C10H101109.2°109.5°
C9C10H102109.2°109.5°
C10C11C12111.9°109.5°
C11C10H101109.2°109.4°
C11C10H102109.2°109.5°
C10C11H111108.9°109.4°
C10C11H112108.8°109.5°
C11C12C13112.0°109.5°
C12C11H111108.8°109.5°
C12C11H112108.9°109.5°
C11C12H121108.8°109.5°
C11C12H122108.9°109.5°
C12C13C14111.1°109.5°
C13C12H121108.9°109.5°
C13C12H122108.8°109.4°
C12C13H131109.0°109.5°
C12C13H132109.0°109.5°
C15C14C13111.5°109.5°
C14C15H151109.5°109.5°
C14C15H152109.5°109.5°
C14C15H153109.4°109.4°
C15C14H141109.0°109.5°
C15C14H142109.0°109.4°
C14C13H131109.1°109.5°
C14C13H132109.0°109.4°
C13C14H141108.9°109.5°
C13C14H142108.9°109.4°
H201C20H202109.5°109.4°
H171C17H172109.5°109.5°
H21CC2H22C109.5°109.4°
H31CC3H32C109.4°109.4°
H41CC4H42C109.5°109.5°
H51CC5H52C109.5°109.5°
H61CC6H62C109.5°109.5°
H91CC9H92C109.5°109.5°
H101C10H102109.5°109.4°
H111C11H112109.5°109.4°
H121C12H122109.4°109.5°
H131C13H132109.5°109.4°
H151C15H152109.5°109.5°
H151C15H153109.5°109.5°
H152C15H153109.5°109.4°
H141C14H142109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O21C20C18H201120.0°120.0°
O21C20C18H202120.0°120.0°
O21C20C18O1946.6°65.0°
O21C20C18C17165.9°175.0°
O21C20H201H202119.9°120.0°
O21C20C18H1873.4°55.0°
C20C18O19C17121.6°120.0°
C20C18O19H18119.1°120.0°
C20C18C17H18120.8°120.0°
C20C18C17O2179.7°175.0°
C18C20O21H21180.0°180.0°
C18C20H201H202119.9°120.0°
C20C18O19H19180.0°60.0°
C20C18C17H17159.9°55.0°
C20C18C17H17260.6°65.0°
O19C18C17H18120.2°119.9°
O19C18C17O261.3°65.0°
O19C18C20H201166.6°175.0°
O19C18C20H20273.4°55.0°
O19C18C17H171179.0°175.0°
O19C18C17H17258.4°55.0°
C18C17O2H171119.7°120.0°
C18C17O2H172119.7°120.0°
C18C17O2C1149.5°179.9°
C17C18C20H20174.1°54.9°
C17C18C20H20245.8°65.0°
C17C18O19H1958.4°60.1°
C18C17H171H172120.8°120.0°
C17O2C1O1152.1°0.1°
C17O2C1C229.4°180.0°
O2C17C18H1858.9°55.0°
O2C17H171H172120.8°120.0°
O2C1O1C2178.6°179.9°
O2C1C2C3109.7°180.0°
C1O2C17H17190.8°60.0°
C1O2C17H17229.7°60.0°
O2C1C2H21C130.3°60.0°
O2C1C2H22C10.4°59.9°
O1C1C2C368.9°0.0°
O1C1C2H21C51.2°120.1°
O1C1C2H22C171.1°120.0°
C1C2C3H21C120.0°120.0°
C1C2C3H22C120.0°120.1°
C1C2C3C456.6°180.0°
C1C2H21CH22C119.9°120.0°
C1C2C3H31C177.5°60.0°
C1C2C3H32C64.3°60.0°
C2C3C4H31C120.9°120.0°
C2C3C4H32C120.9°120.0°
C2C3C4C5162.9°180.0°
C3C2H21CH22C119.9°120.0°
C2C3H31CH32C117.3°120.0°
C2C3C4H41C76.9°60.0°
C2C3C4H42C42.8°60.0°
C3C4C5H41C120.2°120.0°
C3C4C5H42C120.2°119.9°
C3C4C5C6165.1°180.0°
C4C3C2H21C63.5°60.0°
C4C3C2H22C176.6°60.0°
C4C3H31CH32C117.3°119.9°
C3C4H41CH42C119.5°120.0°
C3C4C5H51C74.3°60.0°
C3C4C5H52C44.5°60.0°
C4C5C6H51C120.6°120.0°
C4C5C6H52C120.6°120.0°
C4C5C6C781.8°180.0°
C5C4C3H31C42.0°60.0°
C5C4C3H32C76.2°60.0°
C5C4H41CH42C119.4°120.0°
C4C5H51CH52C118.1°119.9°
C4C5C6H61C38.2°60.0°
C4C5C6H62C158.1°60.0°
C5C6C7H61C120.0°120.0°
C5C6C7H62C120.0°120.0°
C5C6C7C8176.9°127.6°
C6C5C4H41C44.9°60.0°
C6C5C4H42C74.7°60.0°
C6C5H51CH52C118.1°120.1°
C5C6H61CH62C119.9°120.0°
C5C6C7H73.1°52.3°
C6C7C8H7180.0°179.9°
C6C7C8C91.5°7.6°
C7C6C5H51C157.5°60.0°
C7C6C5H52C38.8°60.0°
C7C6H61CH62C119.9°120.0°
C6C7C8H8178.5°172.4°
C7C8C9H8180.0°180.0°
C7C8C9C10147.6°126.3°
C8C7C6H61C56.9°7.6°
C8C7C6H62C63.1°112.4°
C7C8C9H91C27.4°113.7°
C7C8C9H92C92.3°6.3°
C8C9C10H91C120.2°120.0°
C8C9C10H92C120.2°120.0°
C8C9C10C1191.6°180.0°
C9C8C7H7178.6°172.5°
C8C9H91CH92C119.4°120.0°
C8C9C10H101148.2°60.0°
C8C9C10H10228.5°60.0°
C9C10C11H101120.2°120.0°
C9C10C11H102120.2°120.1°
C9C10C11C12144.0°180.0°
C10C9C8H832.4°53.7°
C10C9H91CH92C119.4°120.0°
C9C10H101H102119.5°120.0°
C9C10C11H11195.7°60.0°
C9C10C11H11223.6°59.9°
C10C11C12H111120.4°120.0°
C10C11C12H112120.4°120.0°
C10C11C12C1378.0°180.0°
C11C10C9H91C28.6°60.0°
C11C10C9H92C148.2°60.0°
C11C10H101H102119.5°119.9°
C10C11H111H112118.9°119.9°
C10C11C12H12142.4°60.0°
C10C11C12H122161.6°60.0°
C11C12C13H121120.4°120.1°
C11C12C13H122120.4°120.0°
C11C12C13C14135.5°180.0°
C12C11C10H10123.8°60.0°
C12C11C10H10295.9°60.0°
C12C11H111H112118.9°120.0°
C11C12H121H122118.9°120.0°
C11C12C13H13115.3°59.9°
C11C12C13H132104.2°60.0°
C12C13C14C15136.6°180.0°
C12C13C14H131120.2°120.1°
C12C13C14H132120.2°120.0°
C13C12C11H111161.6°60.0°
C13C12C11H11242.4°60.0°
C13C12H121H122118.8°119.9°
C12C13H131H132119.2°120.0°
C12C13C14H141103.1°60.0°
C12C13C14H14216.3°60.1°
C15C14C13H141120.3°120.0°
C15C14C13H142120.3°120.0°
C15C14C13H131103.2°59.9°
C15C14C13H13216.4°60.0°
C14C15H151H152120.0°120.0°
C14C15H151H153120.0°120.0°
C14C15H152H153120.0°119.9°
C15C14H141H142119.1°120.0°
C14C13C12H121104.1°59.9°
C14C13C12H12215.1°60.0°
C14C13H131H132119.3°119.9°
C13C14C15H151180.0°60.0°
C13C14C15H15260.0°60.1°
C13C14C15H15360.0°180.0°
C13C14H141H142119.1°120.0°
H21O21C20H20160.0°60.0°
H21O21C20H20260.0°60.0°
H201C20C18H1846.6°65.0°
H202C20C18H18166.6°175.0°
H18C18O19H1960.9°180.0°
H18C18C17H17160.9°65.1°
H18C18C17H172178.6°175.0°
H21CC2C3H31C57.4°180.0°
H21CC2C3H32C175.7°60.0°
H22CC2C3H31C62.5°60.0°
H22CC2C3H32C55.7°180.0°
H31CC3C4H41C162.2°180.0°
H31CC3C4H42C78.1°60.0°
H32CC3C4H41C44.0°60.0°
H32CC3C4H42C163.6°179.9°
H41CC4C5H51C165.5°180.0°
H41CC4C5H52C75.7°60.0°
H42CC4C5H51C45.9°60.0°
H42CC4C5H52C164.7°180.0°
H51CC5C6H61C82.4°180.0°
H51CC5C6H62C37.5°59.9°
H52CC5C6H61C158.8°60.0°
H52CC5C6H62C81.3°180.0°
H61CC6C7H7123.1°172.3°
H62CC6C7H7117.0°67.6°
H7C7C8H81.4°7.5°
H8C8C9H91C152.6°66.3°
H8C8C9H92C87.7°173.7°
H91CC9C10H10191.6°180.0°
H91CC9C10H102148.8°60.0°
H92CC9C10H10128.0°60.0°
H92CC9C10H10291.6°180.0°
H101C10C11H111144.2°180.0°
H101C10C11H11296.6°60.1°
H102C10C11H11124.5°60.1°
H102C10C11H112143.8°180.0°
H111C11C12H12178.0°NaN°
H111C11C12H12241.2°60.0°
H112C11C12H121162.7°60.0°
H112C11C12H12278.0°180.0°
H121C12C13H131135.6°180.0°
H121C12C13H13216.1°60.0°
H122C12C13H131105.1°60.0°
H122C12C13H132135.4°180.0°
H131C13C14H14117.1°179.9°
H131C13C14H142136.5°60.0°
H132C13C14H141136.7°60.0°
H132C13C14H142103.9°180.0°
H151C15H152H153120.0°120.0°
H151C15C14H14159.7°180.0°
H151C15C14H14259.7°60.0°
H152C15C14H14160.3°59.9°
H152C15C14H142179.7°180.0°
H153C15C14H141179.7°60.0°
H153C15C14H14260.3°60.0°

225946

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