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EOD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1doub1.21Å1.25Å
C1O2sing1.34Å1.25Å
C1C2sing1.51Å1.53Å
O2HO2sing0.97Å0.95Å
C2C3sing1.53Å1.53Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3C4sing1.53Å1.53Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C4C5sing1.53Å1.53Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C5C6sing1.53Å1.53Å
C5H51sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
C6C7sing1.53Å1.53Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C7C8sing1.53Å1.53Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C8C9sing1.53Å1.53Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C9C10sing1.53Å1.53Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C10C11sing1.53Å1.53Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11C12sing1.53Å1.52Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12O3sing1.43Å1.44Å
C12C13sing1.53Å1.52Å
C12H12sing1.09Å1.10Å
O3C13sing1.43Å1.43Å
C13C14sing1.53Å1.52Å
C13H13sing1.09Å1.10Å
C14C15sing1.53Å1.53Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C15C16sing1.53Å1.53Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16C17sing1.53Å1.53Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17C18sing1.53Å1.53Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C18H183sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1O2125.4°120.0°
O1C1C2117.3°120.0°
O2C1C2117.3°120.0°
C1O2HO2109.5°120.0°
C1C2C3112.9°109.5°
C1C2H21107.6°109.5°
C1C2H22108.4°109.5°
C3C2H21107.6°109.5°
C3C2H22108.3°109.4°
C2C3C4113.8°109.5°
C2C3H31107.0°109.5°
C2C3H32108.0°109.4°
H21C2H22112.2°109.5°
C4C3H31107.1°109.5°
C4C3H32108.0°109.5°
C3C4C5111.2°109.4°
C3C4H41108.5°109.5°
C3C4H42108.9°109.4°
H31C3H32113.0°109.5°
C5C4H41108.5°109.5°
C5C4H42108.9°109.5°
C4C5C6109.9°109.5°
C4C5H51109.2°109.5°
C4C5H52109.3°109.5°
H41C4H42110.8°109.5°
C6C5H51109.3°109.4°
C6C5H52109.3°109.4°
C5C6C7112.0°109.5°
C5C6H61108.1°109.4°
C5C6H62108.6°109.4°
H51C5H52109.8°109.5°
C7C6H61108.1°109.5°
C7C6H62108.6°109.5°
C6C7C8110.6°109.4°
C6C7H71108.8°109.5°
C6C7H72109.1°109.5°
H61C6H62111.5°109.5°
C8C7H71108.8°109.5°
C8C7H72109.1°109.5°
C7C8C9107.4°109.4°
C7C8H81110.6°109.5°
C7C8H82110.2°109.5°
H71C7H72110.4°109.5°
C9C8H81110.6°109.5°
C9C8H82110.2°109.5°
C8C9C10118.1°109.5°
C8C9H91104.7°109.5°
C8C9H92106.7°109.5°
H81C8H82107.8°109.5°
C10C9H91104.7°109.5°
C10C9H92106.7°109.4°
C9C10C11113.8°109.5°
C9C10H101107.1°109.4°
C9C10H102108.0°109.4°
H91C9H92116.5°109.4°
C11C10H101107.1°109.5°
C11C10H102108.1°109.5°
C10C11C12111.8°109.5°
C10C11H111108.2°109.5°
C10C11H112108.7°109.5°
H101C10H102112.9°109.5°
C12C11H111108.2°109.5°
C12C11H112108.7°109.5°
C11C12O3119.0°117.8°
C11C12C13121.0°117.9°
C11C12H1290.0°115.7°
H111C11H112111.3°109.5°
O3C12C1358.0°57.6°
O3C12H12136.7°117.8°
C12O3C1363.9°64.7°
C13C12H12135.0°117.7°
C12C13O358.0°57.7°
C12C13C14112.4°117.7°
C12C13H13138.8°117.8°
O3C13C14118.9°117.8°
O3C13H13133.3°117.8°
C14C13H1395.0°115.7°
C13C14C15106.5°109.4°
C13C14H141111.1°109.5°
C13C14H142110.5°109.4°
C15C14H141111.2°109.5°
C15C14H142110.5°109.5°
C14C15C16118.6°109.5°
C14C15H151104.4°109.5°
C14C15H152106.5°109.4°
H141C14H142107.2°109.5°
C16C15H151104.4°109.5°
C16C15H152106.5°109.5°
C15C16C17116.5°109.4°
C15C16H161105.6°109.5°
C15C16H162107.2°109.5°
H151C15H152117.0°109.5°
C17C16H161105.6°109.4°
C17C16H162107.2°109.5°
C16C17C18110.1°109.4°
C16C17H171109.1°109.5°
C16C17H172109.3°109.5°
H161C16H162115.2°109.5°
C18C17H171109.1°109.4°
C18C17H172109.3°109.5°
C17C18H181109.4°109.5°
C17C18H182109.5°109.4°
C17C18H183109.5°109.4°
H171C17H172110.0°109.5°
H181C18H182109.5°109.5°
H181C18H183109.4°109.5°
H182C18H183109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1O2C2179.4°179.9°
O1C1O2HO20.0°0.0°
O1C1C2C3161.5°0.0°
O1C1C2H2179.9°120.0°
O1C1C2H2241.6°120.0°
O2C1C2C317.9°180.0°
O2C1C2H21100.6°60.0°
O2C1C2H22137.9°60.1°
C2C1O2HO2179.4°180.0°
C1C2C3H21118.5°120.0°
C1C2C3H22120.0°120.0°
C1C2H21H22119.1°120.1°
C1C2C3C459.8°180.0°
C1C2C3H3158.3°60.0°
C1C2C3H32179.8°60.0°
C3C2H21H22119.0°120.0°
C2C3C4H31118.1°120.0°
C2C3C4H32120.0°120.0°
C2C3H31H32118.8°120.0°
C2C3C4C5122.9°180.0°
C2C3C4H413.6°60.0°
C2C3C4H42117.1°60.0°
H21C2C3C4178.3°60.0°
H21C2C3H3160.2°180.0°
H21C2C3H3261.7°60.0°
H22C2C3C460.2°60.0°
H22C2C3H31178.3°60.0°
H22C2C3H3259.8°180.0°
C4C3H31H32118.8°120.1°
C3C4C5H41119.3°120.0°
C3C4C5H42120.0°119.9°
C3C4H41H42119.5°120.0°
C3C4C5C6163.1°180.0°
C3C4C5H5177.1°60.0°
C3C4C5H5243.1°60.0°
H31C3C4C5119.0°60.0°
H31C3C4H41121.7°180.0°
H31C3C4H421.0°60.0°
H32C3C4C52.9°60.0°
H32C3C4H41116.4°60.0°
H32C3C4H42122.9°180.0°
C5C4H41H42119.5°120.0°
C4C5C6H51119.8°120.0°
C4C5C6H52120.0°120.0°
C4C5H51H52119.9°120.0°
C4C5C6C7148.0°180.0°
C4C5C6H6129.1°59.9°
C4C5C6H6292.0°60.0°
H41C4C5C643.8°60.0°
H41C4C5H51163.7°179.9°
H41C4C5H5276.2°60.0°
H42C4C5C676.9°60.1°
H42C4C5H5143.0°59.9°
H42C4C5H52163.1°180.0°
C6C5H51H52119.9°119.9°
C5C6C7H61118.9°120.0°
C5C6C7H62120.0°120.0°
C5C6H61H62119.3°119.9°
C5C6C7C8179.0°180.0°
C5C6C7H7159.5°60.0°
C5C6C7H7261.0°60.1°
H51C5C6C792.1°60.0°
H51C5C6H61148.9°180.0°
H51C5C6H6227.9°60.0°
H52C5C6C728.0°60.0°
H52C5C6H6190.9°60.1°
H52C5C6H62148.0°180.0°
C7C6H61H62119.3°120.0°
C6C7C8H71119.5°120.0°
C6C7C8H72120.0°120.0°
C6C7H71H72119.7°120.0°
C6C7C8C9129.0°180.0°
C6C7C8H818.2°60.0°
C6C7C8H82111.0°60.0°
H61C6C7C862.1°60.0°
H61C6C7H71178.4°180.0°
H61C6C7H7257.9°60.0°
H62C6C7C859.0°60.0°
H62C6C7H7160.5°60.0°
H62C6C7H72179.0°180.0°
C8C7H71H72119.7°120.0°
C7C8C9H81120.8°120.0°
C7C8C9H82120.0°120.0°
C7C8H81H82120.5°120.0°
C7C8C9C10128.2°180.0°
C7C8C9H9112.3°60.0°
C7C8C9H92111.8°60.0°
H71C7C8C9111.5°60.0°
H71C7C8H81127.7°180.0°
H71C7C8H828.5°60.0°
H72C7C8C99.0°60.0°
H72C7C8H81111.8°60.0°
H72C7C8H82129.0°180.0°
C9C8H81H82120.6°120.0°
C8C9C10H91115.9°120.1°
C8C9C10H92120.0°120.0°
C8C9H91H92117.6°120.0°
C8C9C10C110.5°180.0°
C8C9C10H101117.6°60.0°
C8C9C10H102120.5°60.0°
H81C8C9C10111.0°60.0°
H81C8C9H91133.1°180.0°
H81C8C9H929.0°60.0°
H82C8C9C108.2°60.0°
H82C8C9H91107.7°60.0°
H82C8C9H92128.2°180.0°
C10C9H91H92117.6°119.9°
C9C10C11H101118.1°120.0°
C9C10C11H102120.0°119.9°
C9C10H101H102118.8°119.9°
C9C10C11C12118.7°180.0°
C9C10C11H111122.3°60.0°
C9C10C11H1121.3°60.0°
H91C9C10C11116.4°59.9°
H91C9C10H1011.7°180.0°
H91C9C10H102123.5°60.0°
H92C9C10C11119.5°60.0°
H92C9C10H101122.4°60.0°
H92C9C10H1020.6°180.0°
C11C10H101H102118.8°120.1°
C10C11C12H111119.0°120.0°
C10C11C12H112120.0°120.0°
C10C11H111H112119.4°120.0°
C10C11C12O3138.6°116.4°
C10C11C12C13153.3°177.6°
C10C11C12H127.7°30.6°
H101C10C11C120.6°60.0°
H101C10C11H111119.6°180.0°
H101C10C11H112119.4°60.0°
H102C10C11C12121.3°60.1°
H102C10C11H1112.3°59.9°
H102C10C11H112118.7°180.0°
C12C11H111H112119.4°120.0°
C11C12O3C13110.4°106.9°
C11C12O3H12126.0°146.3°
C11C12C13H12126.9°146.4°
C11C12C13C144.0°0.1°
C11C12C13H13132.0°146.3°
H111C11C12O3102.4°123.6°
H111C11C12C1334.3°57.6°
H111C11C12H12111.3°89.4°
H112C11C12O318.6°3.6°
H112C11C12C1386.7°62.4°
H112C11C12H12127.7°150.6°
O3C12C13H12126.1°106.8°
O3C12C13C14111.0°106.9°
O3C12C13H13121.0°106.9°
C12C13C14H13148.6°146.9°
C12C13C14C15150.4°176.4°
C12C13C14H14129.2°56.3°
C12C13C14H14289.7°63.6°
H12C12C13C14122.9°146.3°
H12C12C13H135.1°0.1°
O3C13C14H13146.6°147.0°
O3C13C14C15144.8°117.5°
O3C13C14H14194.0°122.4°
O3C13C14H14224.9°2.4°
C13C14C15H141121.2°120.0°
C13C14C15H142120.0°120.0°
C13C14H141H142120.8°120.0°
C13C14C15C16113.2°180.0°
C13C14C15H151131.2°60.0°
C13C14C15H1526.9°60.0°
H13C13C14C151.8°29.5°
H13C13C14H141119.4°90.6°
H13C13C14H142121.8°149.4°
C15C14H141H142120.8°120.0°
C14C15C16H151115.7°120.0°
C14C15C16H152120.0°120.0°
C14C15H151H152117.4°120.0°
C14C15C16C170.6°180.0°
C14C15C16H161117.4°60.0°
C14C15C16H162119.4°60.0°
H141C14C15C168.0°60.0°
H141C14C15H151107.6°180.0°
H141C14C15H152128.0°60.0°
H142C14C15C16126.9°60.0°
H142C14C15H15111.2°60.0°
H142C14C15H152113.1°180.0°
C16C15H151H152117.4°120.1°
C15C16C17H161116.8°120.0°
C15C16C17H162120.0°120.0°
C15C16H161H162118.0°120.0°
C15C16C17C18166.0°180.0°
C15C16C17H17146.3°60.1°
C15C16C17H17273.9°60.0°
H151C15C16C17115.0°60.1°
H151C15C16H1611.7°180.0°
H151C15C16H162125.0°60.0°
H152C15C16C17120.6°60.0°
H152C15C16H161122.6°59.9°
H152C15C16H1620.6°179.9°
C17C16H161H162118.0°120.0°
C16C17C18H171119.7°119.9°
C16C17C18H172120.0°120.0°
C16C17H171H172119.8°120.0°
C16C17C18H18161.0°59.9°
C16C17C18H182179.0°60.1°
C16C17C18H18359.0°180.0°
H161C16C17C1877.2°60.0°
H161C16C17H171163.1°180.0°
H161C16C17H17242.8°60.0°
H162C16C17C1846.1°60.0°
H162C16C17H17173.7°60.0°
H162C16C17H172166.1°180.0°
C18C17H171H172119.8°120.0°
C17C18H181H182120.0°120.0°
C17C18H181H183120.0°120.0°
C17C18H182H183120.0°119.9°
H171C17C18H18158.8°60.0°
H171C17C18H18261.3°NaN°
H171C17C18H183178.7°60.0°
H172C17C18H181179.0°180.0°
H172C17C18H18259.0°60.0°
H172C17C18H18361.0°60.0°
H181C18H182H183120.0°120.1°

224931

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