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EST

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.39ÅAromatic
C1C10sing1.41Å1.39ÅAromatic
C1H1sing1.08Å1.10Å
C2C3sing1.39Å1.36ÅAromatic
C2H2sing1.08Å1.10Å
C3O3sing1.36Å1.39Å
C3C4doub1.38Å1.40ÅAromatic
O3HO3sing0.97Å0.95Å
C4C5sing1.39Å1.40ÅAromatic
C4H4sing1.08Å1.10Å
C5C6sing1.51Å1.51Å
C5C10doub1.36Å1.41ÅAromatic
C6C7sing1.53Å1.52Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.11Å
C7C8sing1.53Å1.53Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.11Å
C8C9sing1.53Å1.55Å
C8C14sing1.51Å1.48Å
C8H8sing1.09Å1.12Å
C9C10sing1.50Å1.51Å
C9C11sing1.52Å1.51Å
C9H9sing1.09Å1.11Å
C11C12sing1.54Å1.54Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12C13sing1.52Å1.53Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
C13C14sing1.55Å1.53Å
C13C17sing1.53Å1.54Å
C13C18sing1.53Å1.53Å
C14C15sing1.53Å1.53Å
C14H14sing1.09Å1.11Å
C15C16sing1.55Å1.56Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.11Å
C16C17sing1.56Å1.54Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
C17O17sing1.43Å1.43Å
C17H17sing1.09Å1.11Å
O17HO7sing0.97Å0.95Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.12Å
C18H183sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C10122.4°120.3°
C2C1H1118.8°119.7°
C1C2C3120.5°119.7°
C1C2H2120.6°120.2°
C10C1H1118.8°120.1°
C1C10C5116.5°119.8°
C1C10C9123.8°117.1°
C3C2H2118.9°120.2°
C2C3O3121.0°120.2°
C2C3C4119.7°119.7°
O3C3C4119.3°120.2°
C3O3HO3120.9°106.9°
C3C4C5119.7°120.6°
C3C4H4119.9°119.7°
C5C4H4120.4°119.7°
C4C5C6117.6°117.6°
C4C5C10121.2°120.0°
C6C5C10121.2°122.4°
C5C6C7117.6°111.3°
C5C6H61109.3°109.1°
C5C6H62109.3°109.1°
C5C10C9119.6°123.1°
C7C6H61109.3°109.2°
C7C6H62109.3°109.0°
C6C7C8114.0°108.2°
C6C7H71110.6°109.6°
C6C7H72110.6°109.7°
H61C6H62100.9°109.1°
C8C7H71110.5°109.7°
C8C7H72110.6°109.8°
C7C8C9109.1°107.9°
C7C8C14114.9°112.7°
C7C8H8107.3°109.7°
H71C7H7299.7°109.7°
C9C8C14113.4°106.9°
C9C8H8109.2°109.8°
C8C9C10112.4°109.6°
C8C9C11113.9°111.4°
C8C9H9106.6°107.8°
C14C8H8102.5°109.7°
C8C14C13117.9°106.8°
C8C14C15124.5°116.9°
C8C14H1487.1°109.8°
C10C9C11115.5°112.0°
C10C9H9104.6°107.9°
C11C9H9102.6°107.9°
C9C11C12115.1°110.6°
C9C11H111110.2°109.3°
C9C11H112110.2°109.3°
C12C11H111110.1°109.2°
C12C11H112110.1°109.2°
C11C12C13111.1°107.7°
C11C12H121111.6°109.8°
C11C12H122111.6°109.8°
H111C11H112100.1°109.2°
C13C12H121111.6°109.8°
C13C12H122111.6°109.8°
C12C13C14110.0°107.8°
C12C13C17114.7°116.1°
C12C13C18110.3°110.1°
H121C12H12298.8°109.8°
C14C13C17100.3°102.1°
C14C13C18116.7°110.2°
C13C14C15103.8°103.4°
C13C14H14115.7°109.8°
C17C13C18104.5°110.1°
C13C17C16107.5°102.7°
C13C17O17114.1°111.6°
C13C17H17108.1°110.2°
C13C18H181110.4°109.4°
C13C18H182111.9°109.5°
C13C18H183111.9°109.5°
C15C14H14106.9°109.8°
C14C15C16101.5°105.3°
C14C15H151115.3°110.2°
C14C15H152115.3°110.3°
C16C15H151115.2°110.4°
C16C15H152115.3°110.2°
C15C16C17105.1°106.6°
C15C16H161113.9°110.0°
C15C16H162113.9°110.2°
H151C15H15295.2°110.3°
C17C16H161113.9°109.6°
C17C16H162113.9°110.3°
C16C17O17110.5°110.8°
C16C17H17111.8°110.7°
H161C16H16296.6°110.1°
O17C17H17104.8°110.6°
C17O17HO7114.2°106.8°
H181C18H182111.8°109.5°
H181C18H183111.9°109.5°
H182C18H18398.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C10H1179.9°179.7°
C1C2C3H2180.0°179.9°
C1C2C3O3179.7°179.8°
C1C2C3C40.2°0.4°
C2C1C10C50.0°0.8°
C2C1C10C9178.2°179.4°
C10C1C2C30.1°0.1°
C10C1C2H2179.9°179.8°
C1C10C5C40.4°1.0°
C1C10C5C6179.6°179.1°
C1C10C5C9178.2°179.8°
C1C10C9C8150.2°159.4°
C1C10C9C1117.3°35.1°
C1C10C9H994.6°83.5°
H1C1C2C3179.9°179.8°
H1C1C2H20.1°0.1°
H1C1C10C5180.0°179.5°
H1C1C10C91.9°0.3°
C2C3O3C4179.6°179.8°
C2C3O3HO3180.0°89.9°
C2C3C4C50.6°0.1°
C2C3C4H4179.4°180.0°
H2C2C3O30.2°0.1°
H2C2C3C4179.8°179.7°
O3C3C4C5179.9°179.9°
O3C3C4H40.2°0.2°
C4C3O3HO30.4°89.9°
C3C4C5H4180.0°179.9°
C3C4C5C6179.9°179.5°
C3C4C5C100.7°0.6°
C4C5C6C10179.2°179.9°
C4C5C6C7177.7°164.7°
C4C5C6H6152.4°44.2°
C4C5C6H6257.0°74.9°
C4C5C10C9178.7°179.1°
H4C4C5C60.1°0.6°
H4C4C5C10179.2°179.3°
C5C6C7H61125.2°120.5°
C5C6C7H62125.3°120.4°
C5C6H61H62115.1°119.1°
C5C6C7C825.1°48.7°
C5C6C7H71150.4°70.9°
C5C6C7H72100.1°168.5°
C6C5C10C92.2°0.7°
C10C5C6C71.5°15.1°
C10C5C6H61126.7°135.7°
C10C5C6H62123.8°105.2°
C5C10C9C831.7°20.5°
C5C10C9C11164.6°144.7°
C5C10C9H983.4°96.7°
C7C6H61H62115.0°119.0°
C6C7C8H71125.3°119.6°
C6C7C8H72125.3°119.7°
C6C7H71H72116.5°120.5°
C6C7C8C953.2°70.0°
C6C7C8C14178.2°172.2°
C6C7C8H865.0°49.6°
H61C6C7C8100.1°169.3°
H61C6C7H7125.1°49.6°
H61C6C7H72134.6°71.0°
H62C6C7C8150.4°71.7°
H62C6C7H7184.3°168.7°
H62C6C7H7225.2°48.1°
C8C7H71H72116.4°120.7°
C7C8C9C14129.5°121.5°
C7C8C9H8117.0°119.5°
C7C8C14H8116.0°122.6°
C7C8C9C1056.3°53.9°
C7C8C9C11170.1°178.5°
C7C8C9H957.7°63.3°
C7C8C14C13171.2°176.5°
C7C8C14C1555.0°61.3°
C7C8C14H1453.5°64.5°
H71C7C8C9178.4°49.6°
H71C7C8C1453.0°68.2°
H71C7C8H860.2°169.2°
H72C7C8C972.1°170.3°
H72C7C8C1456.5°52.5°
H72C7C8H8169.7°70.1°
C9C8C14H8117.5°119.0°
C8C9C10C11132.9°124.3°
C8C9C10H9115.2°117.2°
C8C9C11H9114.7°118.2°
C8C9C11C1245.8°56.2°
C8C9C11H111171.1°64.1°
C8C9C11H11279.4°176.4°
C9C8C14C1344.8°65.1°
C9C8C14C15178.6°179.7°
C9C8C14H1472.9°53.9°
C14C8C9C10174.2°175.4°
C14C8C9C1140.6°60.0°
C14C8C9H971.8°58.2°
C8C14C13C1251.2°69.2°
C8C14C13C15142.2°123.9°
C8C14C13H14101.1°119.0°
C8C14C13C17172.4°168.0°
C8C14C13C1875.5°51.0°
C8C14C15H1498.3°125.9°
C8C14C15C16176.8°146.3°
C8C14C15H15158.0°27.3°
C8C14C15H15251.5°94.8°
H8C8C9C1060.7°65.6°
H8C8C9C1172.9°59.0°
H8C8C9H9174.7°177.2°
H8C8C14C1372.7°53.9°
H8C8C14C1561.1°61.3°
H8C8C14H14169.6°172.9°
C10C9C11H9113.1°118.5°
C10C9C11C12178.0°179.4°
C10C9C11H11156.7°59.1°
C10C9C11H11252.8°60.3°
C9C11C12H111125.3°120.3°
C9C11C12H112125.3°120.4°
C9C11H111H112116.0°119.5°
C9C11C12C1352.6°57.3°
C9C11C12H12172.7°176.9°
C9C11C12H122177.8°62.2°
H9C9C11C1268.9°62.0°
H9C9C11H11156.4°177.7°
H9C9C11H112165.9°58.2°
C12C11H111H112115.9°119.3°
C11C12C13H121125.3°119.6°
C11C12C13H122125.3°119.6°
C11C12H121H122117.5°120.9°
C11C12C13C1452.2°63.5°
C11C12C13C17164.4°177.3°
C11C12C13C1878.0°56.7°
H111C11C12C13177.9°63.0°
H111C11C12H12152.6°56.6°
H111C11C12H12256.9°177.5°
H112C11C12C1372.7°177.6°
H112C11C12H121162.0°62.8°
H112C11C12H12252.5°58.1°
C13C12H121H122117.5°120.9°
C12C13C14C17121.2°122.7°
C12C13C14C18126.7°120.2°
C12C13C17C18120.9°126.0°
C12C13C14C15166.6°166.9°
C12C13C14H1449.8°49.8°
C12C13C17C16146.6°157.7°
C12C13C17O1790.4°83.6°
C12C13C17H1725.8°39.7°
C12C13C18H181180.0°54.4°
C12C13C18H18254.8°174.4°
C12C13C18H18354.7°65.6°
H121C12C13C1473.1°176.9°
H121C12C13C1739.1°63.2°
H121C12C13C18156.7°62.8°
H122C12C13C14177.5°56.0°
H122C12C13C1770.4°57.7°
H122C12C13C1847.2°176.3°
C14C13C17C18121.3°117.1°
C13C14C15H14122.8°117.1°
C13C14C15C1644.3°29.3°
C13C14C15H15181.0°89.7°
C13C14C15H152169.6°148.2°
C14C13C17C1628.8°40.8°
C14C13C17O17151.7°159.5°
C14C13C17H1792.1°77.2°
C14C13C18H18153.4°64.4°
C14C13C18H182178.7°55.6°
C14C13C18H18371.9°175.6°
C17C13C14C1545.4°44.1°
C17C13C14H1471.4°73.0°
C13C17C16C152.4°23.1°
C13C17C16O17125.1°119.3°
C13C17C16H17118.5°117.6°
C13C17C16H161122.8°96.0°
C13C17C16H162127.7°142.6°
C13C17O17H17118.1°123.0°
C13C17O17HO7179.9°175.3°
C17C13C18H18156.2°176.3°
C17C13C18H18269.0°56.3°
C17C13C18H183178.5°63.7°
C18C13C14C1566.7°72.9°
C18C13C14H14176.5°170.0°
C18C13C17C1692.5°76.3°
C18C13C17O1730.5°42.4°
C18C13C17H17146.7°165.8°
C13C18H181H182125.2°120.0°
C13C18H181H183125.4°120.0°
C13C18H182H183117.9°120.0°
C14C15C16H151125.3°119.0°
C14C15C16H152125.3°118.9°
C14C15H151H152121.2°122.0°
C14C15C16C1725.1°4.0°
C14C15C16H161150.4°122.8°
C14C15C16H162100.2°115.7°
H14C14C15C1678.5°87.8°
H14C14C15H151156.2°153.1°
H14C14C15H15246.8°31.1°
C16C15H151H152121.1°122.0°
C15C16C17H161125.2°119.0°
C15C16C17H162125.3°119.6°
C15C16H161H162119.8°121.6°
C15C16C17O17127.6°142.4°
C15C16C17H17116.0°94.5°
H151C15C16C17100.1°114.9°
H151C15C16H16125.1°3.8°
H151C15C16H162134.6°125.4°
H152C15C16C17150.4°123.0°
H152C15C16H16184.3°118.3°
H152C15C16H16225.2°3.3°
C17C16H161H162119.8°121.5°
C16C17O17H17120.6°123.1°
C16C17O17HO758.7°61.5°
H161C16C17O172.3°23.4°
H161C16C17H17118.7°146.4°
H162C16C17O17107.1°98.0°
H162C16C17H179.2°25.1°
H17C17O17HO762.0°61.7°
H181C18H182H183117.7°120.0°

246704

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