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STE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1doub1.21Å1.21Å
C1O2sing1.34Å1.22Å
C1C2sing1.51Å1.47Å
O2HO2sing0.97Å0.95Å
C2C3sing1.53Å1.45Å
C2H21sing1.09Å1.12Å
C2H22sing1.09Å1.11Å
C3C4sing1.53Å1.53Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.11Å
C4C5sing1.53Å1.50Å
C4H41sing1.09Å1.11Å
C4H42sing1.09Å1.11Å
C5C6sing1.53Å1.50Å
C5H51sing1.09Å1.12Å
C5H52sing1.09Å1.12Å
C6C7sing1.53Å1.50Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.11Å
C7C8sing1.53Å1.53Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.11Å
C8C9sing1.53Å1.49Å
C8H81sing1.09Å1.11Å
C8H82sing1.09Å1.12Å
C9C10sing1.53Å1.53Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.11Å
C10C11sing1.53Å1.52Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.11Å
C11C12sing1.53Å1.48Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12C13sing1.53Å1.48Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.11Å
C13C14sing1.53Å1.47Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.11Å
C14C15sing1.53Å1.52Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C15C16sing1.53Å1.54Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.12Å
C16C17sing1.53Å1.51Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.12Å
C17C18sing1.53Å1.52Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.11Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.11Å
C18H183sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1O2124.9°120.0°
O1C1C2115.8°119.9°
O2C1C2119.1°120.1°
C1O2HO2125.0°120.1°
C1C2C3122.7°109.5°
C1C2H21107.5°109.4°
C1C2H22107.5°109.5°
C3C2H21107.6°109.5°
C3C2H22107.6°109.5°
C2C3C4119.1°109.5°
C2C3H31108.7°109.4°
C2C3H32108.7°109.5°
H21C2H22102.2°109.4°
C4C3H31108.8°109.4°
C4C3H32108.7°109.5°
C3C4C5112.5°109.5°
C3C4H41111.1°109.4°
C3C4H42111.0°109.5°
H31C3H32101.3°109.4°
C5C4H41111.1°109.5°
C5C4H42111.1°109.5°
C4C5C6115.6°109.5°
C4C5H51110.0°109.4°
C4C5H52109.9°109.5°
H41C4H4299.2°109.5°
C6C5H51110.0°109.5°
C6C5H52110.0°109.5°
C5C6C7116.1°109.5°
C5C6H61109.8°109.4°
C5C6H62109.8°109.4°
H51C5H52100.3°109.5°
C7C6H61109.8°109.5°
C7C6H62109.8°109.5°
C6C7C8113.4°109.5°
C6C7H71110.8°109.4°
C6C7H72110.8°109.5°
H61C6H62100.4°109.5°
C8C7H71110.8°109.4°
C8C7H72110.8°109.5°
C7C8C9113.1°109.5°
C7C8H81110.9°109.4°
C7C8H82110.9°109.5°
H71C7H7299.5°109.5°
C9C8H81110.9°109.5°
C9C8H82110.9°109.5°
C8C9C10112.2°109.5°
C8C9H91111.2°109.4°
C8C9H92111.3°109.5°
H81C8H8299.4°109.4°
C10C9H91111.2°109.5°
C10C9H92111.2°109.5°
C9C10C11110.3°109.5°
C9C10H101111.9°109.4°
C9C10H102111.9°109.5°
H91C9H9299.1°109.5°
C11C10H101111.9°109.4°
C11C10H102111.9°109.5°
C10C11C12114.4°109.5°
C10C11H111110.4°109.4°
C10C11H112110.4°109.5°
H101C10H10298.5°109.5°
C12C11H111110.4°109.4°
C12C11H112110.4°109.5°
C11C12C13116.7°109.5°
C11C12H121109.6°109.4°
C11C12H122109.6°109.5°
H111C11H11299.9°109.4°
C13C12H121109.6°109.5°
C13C12H122109.6°109.5°
C12C13C14119.9°109.5°
C12C13H131108.5°109.4°
C12C13H132108.5°109.5°
H121C12H122100.5°109.5°
C14C13H131108.4°109.4°
C14C13H132108.5°109.5°
C13C14C15114.6°109.5°
C13C14H141110.4°109.4°
C13C14H142110.4°109.5°
H131C13H132101.5°109.5°
C15C14H141110.3°109.5°
C15C14H142110.3°109.5°
C14C15C16108.9°109.5°
C14C15H151112.4°109.4°
C14C15H152112.4°109.5°
H141C14H14299.9°109.4°
C16C15H151112.4°109.4°
C16C15H152112.4°109.5°
C15C16C17108.2°109.5°
C15C16H161112.7°109.4°
C15C16H162112.7°109.5°
H151C15H15298.0°109.5°
C17C16H161112.7°109.5°
C17C16H162112.7°109.5°
C16C17C18110.8°109.5°
C16C17H171111.7°109.4°
C16C17H172111.7°109.5°
H161C16H16297.7°109.4°
C18C17H171111.7°109.5°
C18C17H172111.8°109.5°
C17C18H181110.8°109.5°
C17C18H182111.7°109.4°
C17C18H183111.7°109.4°
H171C17H17298.7°109.4°
H181C18H182111.8°109.5°
H181C18H183111.7°109.5°
H182C18H18398.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1O2C2176.8°179.9°
O1C1O2HO2180.0°0.1°
O1C1C2C3179.0°0.1°
O1C1C2H2153.7°120.1°
O1C1C2H2255.7°120.1°
O2C1C2C34.0°180.0°
O2C1C2H21129.3°60.1°
O2C1C2H22121.3°59.8°
C2C1O2HO23.2°180.0°
C1C2C3H21125.3°119.9°
C1C2C3H22125.3°120.1°
C1C2H21H22113.0°119.9°
C1C2C3C4179.4°180.0°
C1C2C3H3154.1°60.0°
C1C2C3H3255.3°59.9°
C3C2H21H22113.1°120.0°
C2C3C4H31125.2°120.0°
C2C3C4H32125.3°120.1°
C2C3H31H32114.4°120.0°
C2C3C4C5154.6°180.0°
C2C3C4H4129.3°60.1°
C2C3C4H4280.2°59.9°
H21C2C3C455.4°60.1°
H21C2C3H31179.3°180.0°
H21C2C3H3269.9°60.1°
H22C2C3C454.1°59.9°
H22C2C3H3171.2°60.1°
H22C2C3H32179.4°180.0°
C4C3H31H32114.5°120.0°
C3C4C5H41125.3°119.9°
C3C4C5H42125.2°120.1°
C3C4H41H42116.9°119.9°
C3C4C5C6167.5°180.0°
C3C4C5H5142.2°60.1°
C3C4C5H5267.3°59.9°
H31C3C4C580.2°60.0°
H31C3C4H41154.5°180.0°
H31C3C4H4245.1°60.1°
H32C3C4C529.3°59.9°
H32C3C4H4196.0°60.0°
H32C3C4H42154.6°180.0°
C5C4H41H42117.0°120.1°
C4C5C6H51125.2°120.0°
C4C5C6H52125.2°120.0°
C4C5H51H52115.8°120.0°
C4C5C6C762.8°180.0°
C4C5C6H6162.4°60.0°
C4C5C6H62171.9°59.9°
H41C4C5C667.3°60.1°
H41C4C5H51167.5°179.9°
H41C4C5H5258.0°59.9°
H42C4C5C642.2°60.0°
H42C4C5H5183.0°60.0°
H42C4C5H52167.5°180.0°
C6C5H51H52115.9°120.0°
C5C6C7H61125.2°119.9°
C5C6C7H62125.2°120.0°
C5C6H61H62115.6°120.0°
C5C6C7C862.3°180.0°
C5C6C7H7162.9°60.0°
C5C6C7H72172.4°59.9°
H51C5C6C7171.9°60.0°
H51C5C6H6162.8°180.0°
H51C5C6H6246.7°60.0°
H52C5C6C762.4°60.0°
H52C5C6H61172.4°60.0°
H52C5C6H6262.8°179.9°
C7C6H61H62115.6°120.1°
C6C7C8H71125.2°119.9°
C6C7C8H72125.3°120.1°
C6C7H71H72116.7°120.0°
C6C7C8C9174.7°180.0°
C6C7C8H8160.0°60.0°
C6C7C8H8249.5°59.9°
H61C6C7C8172.5°60.1°
H61C6C7H7162.3°180.0°
H61C6C7H7247.2°60.0°
H62C6C7C863.0°59.9°
H62C6C7H71171.8°60.0°
H62C6C7H7262.4°179.9°
C8C7H71H72116.7°120.0°
C7C8C9H81125.3°119.9°
C7C8C9H82125.3°120.1°
C7C8H81H82116.8°119.9°
C7C8C9C10167.7°180.0°
C7C8C9H9167.0°60.1°
C7C8C9H9242.4°59.9°
H71C7C8C949.5°60.1°
H71C7C8H81174.8°179.9°
H71C7C8H8275.7°60.0°
H72C7C8C960.0°59.9°
H72C7C8H8165.3°60.1°
H72C7C8H82174.8°180.0°
C9C8H81H82116.7°120.1°
C8C9C10H91125.3°120.0°
C8C9C10H92125.3°120.1°
C8C9H91H92117.1°120.0°
C8C9C10C1153.5°180.0°
C8C9C10H101178.7°60.0°
C8C9C10H10271.8°59.9°
H81C8C9C1042.4°60.0°
H81C8C9H91167.7°180.0°
H81C8C9H9282.9°60.0°
H82C8C9C1067.0°59.9°
H82C8C9H9158.2°60.0°
H82C8C9H92167.7°180.0°
C10C9H91H92117.1°120.0°
C9C10C11H101125.3°119.9°
C9C10C11H102125.3°120.1°
C9C10H101H102117.8°119.9°
C9C10C11C1253.9°180.0°
C9C10C11H111179.2°60.0°
C9C10C11H11271.3°59.9°
H91C9C10C1171.8°60.0°
H91C9C10H10153.5°180.0°
H91C9C10H102162.9°60.1°
H92C9C10C11178.8°59.9°
H92C9C10H10155.9°60.0°
H92C9C10H10253.5°179.9°
C11C10H101H102117.8°120.1°
C10C11C12H111125.2°120.0°
C10C11C12H112125.2°120.1°
C10C11H111H112116.3°120.0°
C10C11C12C13147.9°180.0°
C10C11C12H12186.8°60.1°
C10C11C12H12222.7°59.9°
H101C10C11C1271.3°60.1°
H101C10C11H11153.9°179.9°
H101C10C11H112163.5°60.0°
H102C10C11C12179.2°59.9°
H102C10C11H11155.6°60.1°
H102C10C11H11254.0°180.0°
C12C11H111H112116.2°120.0°
C11C12C13H121125.3°119.9°
C11C12C13H122125.3°120.1°
C11C12H121H122115.4°119.9°
C11C12C13C1490.7°180.0°
C11C12C13H131144.1°60.1°
C11C12C13H13234.6°59.9°
H111C11C12C1322.7°60.0°
H111C11C12H121148.0°180.0°
H111C11C12H122102.6°60.1°
H112C11C12C1386.8°59.9°
H112C11C12H12138.5°60.0°
H112C11C12H122147.9°180.0°
C13C12H121H122115.3°120.1°
C12C13C14H131125.3°119.9°
C12C13C14H132125.3°120.0°
C12C13H131H132114.2°120.0°
C12C13C14C1568.1°180.0°
C12C13C14H141166.7°60.0°
C12C13C14H14257.1°59.9°
H121C12C13C1434.6°60.1°
H121C12C13H13190.6°180.0°
H121C12C13H132159.9°60.0°
H122C12C13C14144.0°60.0°
H122C12C13H13118.8°60.0°
H122C12C13H13290.7°180.0°
C14C13H131H132114.1°120.0°
C13C14C15H141125.3°120.0°
C13C14C15H142125.3°120.1°
C13C14H141H142116.2°119.9°
C13C14C15C16159.5°180.0°
C13C14C15H15134.1°60.0°
C13C14C15H15275.3°59.9°
H131C13C14C1557.2°60.1°
H131C13C14H14168.1°179.9°
H131C13C14H142177.6°60.0°
H132C13C14C15166.6°60.0°
H132C13C14H14141.4°60.0°
H132C13C14H14268.1°179.9°
C15C14H141H142116.1°120.0°
C14C15C16H151125.3°119.9°
C14C15C16H152125.3°120.1°
C14C15H151H152118.3°120.0°
C14C15C16C1717.7°180.0°
C14C15C16H161107.6°60.0°
C14C15C16H162143.0°59.9°
H141C14C15C1675.3°60.1°
H141C14C15H151159.4°180.0°
H141C14C15H15250.0°60.1°
H142C14C15C1634.1°59.9°
H142C14C15H15191.2°60.0°
H142C14C15H152159.4°180.0°
C16C15H151H152118.3°120.0°
C15C16C17H161125.3°119.9°
C15C16C17H162125.3°120.1°
C15C16H161H162118.6°119.9°
C15C16C17C18134.6°180.0°
C15C16C17H171100.2°60.0°
C15C16C17H1729.3°59.9°
H151C15C16C17143.0°60.1°
H151C15C16H16117.7°179.9°
H151C15C16H16291.7°60.0°
H152C15C16C17107.6°59.9°
H152C15C16H161127.1°60.1°
H152C15C16H16217.7°180.0°
C17C16H161H162118.6°120.0°
C16C17C18H171125.2°120.0°
C16C17C18H172125.3°120.1°
C16C17H171H172117.6°120.0°
C16C17C18H181180.0°180.0°
C16C17C18H18254.7°59.9°
C16C17C18H18354.8°60.0°
H161C16C17C189.3°60.0°
H161C16C17H171134.5°180.0°
H161C16C17H172116.0°60.1°
H162C16C17C18100.1°59.9°
H162C16C17H17125.1°60.1°
H162C16C17H172134.6°180.0°
C18C17H171H172117.7°120.0°
C17C18H181H182125.3°120.0°
C17C18H181H183125.2°120.0°
C17C18H182H183117.6°119.9°
H171C17C18H18154.7°60.0°
H171C17C18H182180.0°60.1°
H171C17C18H18370.5°180.0°
H172C17C18H18154.8°60.0°
H172C17C18H18270.6°180.0°
H172C17C18H183180.0°60.1°
H181C18H182H183117.6°120.0°

246704

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