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ASD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C10sing1.51Å1.55Å
C1C2sing1.53Å1.55Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C10C19sing1.53Å1.54Å
C10C5sing1.50Å1.51Å
C10C9sing1.53Å1.55Å
C11C12sing1.54Å1.51Å
C11C9sing1.52Å1.53Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12C13sing1.52Å1.55Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13C14sing1.53Å1.49Å
C13C17sing1.50Å1.49Å
C13C18sing1.53Å1.50Å
C14C15sing1.53Å1.53Å
C14C8sing1.52Å1.52Å
C14H14sing1.09Å1.10Å
C15C16sing1.55Å1.55Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16C17sing1.51Å1.55Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17O2doub1.21Å1.23Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C18H183sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C2C3sing1.52Å1.51Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3C4sing1.47Å1.45Å
C3O1doub1.21Å1.22Å
C4C5doub1.33Å1.31Å
C4H4sing1.08Å1.08Å
C5C6sing1.52Å1.50Å
C6C7sing1.53Å1.49Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C7C8sing1.53Å1.53Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C8C9sing1.54Å1.59Å
C8H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C10C1C2117.6°112.3°
C10C1H11106.9°108.9°
C10C1H12106.9°108.9°
C1C10C19108.9°106.8°
C1C10C5113.1°115.5°
C1C10C9111.8°111.9°
C2C1H11106.9°109.0°
C2C1H12106.9°108.9°
C1C2C3117.9°107.6°
C1C2H21106.8°109.8°
C1C2H22106.8°109.9°
H11C1H12111.9°108.8°
C19C10C5107.1°106.7°
C19C10C9111.3°106.6°
C10C19H191109.5°109.5°
C10C19H192109.5°109.5°
C10C19H193109.5°109.4°
C5C10C9104.5°108.9°
C10C5C4126.2°123.8°
C10C5C6113.6°117.5°
C10C9C11112.3°109.5°
C10C9C8110.0°108.5°
C10C9H9107.4°109.2°
C12C11C9110.1°111.7°
C12C11H111109.2°109.0°
C12C11H112109.3°109.0°
C11C12C13108.6°107.2°
C11C12H121109.8°109.9°
C11C12H122109.8°109.9°
C9C11H111109.3°109.0°
C9C11H112109.3°109.1°
C11C9C8110.3°111.2°
C11C9H9107.1°109.2°
H111C11H112109.7°109.0°
C13C12H121109.8°109.8°
C13C12H122109.8°109.9°
C12C13C14110.9°107.8°
C12C13C17114.7°116.9°
C12C13C18112.5°109.6°
H121C12H122109.2°110.0°
C14C13C17102.5°103.8°
C14C13C18110.1°109.0°
C13C14C15105.0°101.2°
C13C14C8108.5°107.9°
C13C14H14117.2°110.7°
C17C13C18105.6°109.4°
C13C17C16105.8°106.4°
C13C17O2126.6°127.0°
C13C18H181109.5°109.5°
C13C18H182109.5°109.5°
C13C18H183109.5°109.5°
C15C14C8119.6°115.8°
C15C14H14105.4°110.6°
C14C15C1698.9°102.5°
C14C15H151113.2°110.8°
C14C15H152113.2°110.8°
C8C14H14101.8°110.3°
C14C8C7112.2°110.0°
C14C8C9110.5°107.4°
C14C8H8107.2°109.6°
C16C15H151113.2°110.8°
C16C15H152113.2°110.7°
C15C16C17106.5°106.2°
C15C16H161110.5°110.0°
C15C16H162110.5°110.1°
H151C15H152105.5°110.9°
C17C16H161110.5°110.3°
C17C16H162110.5°110.2°
C16C17O2127.5°126.6°
H161C16H162108.4°110.1°
H181C18H182109.4°109.4°
H181C18H183109.4°109.5°
H182C18H183109.5°109.4°
H191C19H192109.5°109.5°
H191C19H193109.5°109.4°
H192C19H193109.4°109.5°
C3C2H21106.8°109.8°
C3C2H22106.7°109.9°
C2C3C4118.2°116.1°
C2C3O1121.6°122.0°
H21C2H22112.0°109.9°
C4C3O1120.1°121.9°
C3C4C5123.8°119.1°
C3C4H4118.1°120.5°
C5C4H4118.1°120.4°
C4C5C6120.2°118.7°
C5C6C7107.6°107.7°
C5C6H61110.1°109.8°
C5C6H62110.1°109.8°
C7C6H61110.1°109.8°
C7C6H62110.1°109.8°
C6C7C8111.3°109.9°
C6C7H71108.9°109.4°
C6C7H72108.9°109.4°
H61C6H62108.8°109.8°
C8C7H71108.9°109.4°
C8C7H72108.9°109.3°
C7C8C9110.4°109.4°
C7C8H8107.3°109.6°
H71C7H72110.1°109.3°
C9C8H8109.1°110.7°
C8C9H9109.6°109.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C10C1C2H11120.0°120.7°
C10C1C2H12120.0°120.7°
C10C1H11H12116.7°118.6°
C1C10C19C5122.6°124.0°
C1C10C19C9123.7°119.7°
C1C10C5C9121.9°126.8°
C1C10C9C1155.9°53.2°
C1C10C19H191180.0°60.0°
C1C10C19H19260.0°180.0°
C1C10C19H19360.0°60.0°
C10C1C2C320.9°55.3°
C10C1C2H21140.9°174.8°
C10C1C2H2299.1°64.3°
C1C10C5C49.5°1.4°
C1C10C5C6172.7°179.0°
C1C10C9C8179.2°174.7°
C1C10C9H961.6°66.4°
C2C1H11H12116.7°118.6°
C2C1C10C19138.1°150.5°
C2C1C10C519.2°32.1°
C2C1C10C998.5°93.2°
C1C2C3H21120.0°119.5°
C1C2C3H22120.0°119.6°
C1C2H21H22116.6°120.9°
C1C2C3C411.4°52.1°
C1C2C3O1169.6°127.8°
H11C1C10C1918.1°29.8°
H11C1C10C5100.8°88.7°
H11C1C10C9141.5°146.0°
H11C1C2C399.2°65.4°
H11C1C2H2120.8°54.1°
H11C1C2H22140.9°175.0°
H12C1C10C19101.9°88.7°
H12C1C10C5139.2°152.8°
H12C1C10C921.5°27.5°
H12C1C2C3140.9°176.0°
H12C1C2H2199.1°64.5°
H12C1C2H2220.9°56.5°
C19C10C5C9118.2°114.7°
C19C10C9C1166.1°63.2°
C10C19H191H192120.0°120.0°
C10C19H191H193120.0°119.9°
C10C19H192H193120.0°120.0°
C19C10C5C4129.4°119.9°
C19C10C5C652.7°60.4°
C19C10C9C857.1°58.3°
C19C10C9H9176.3°177.1°
C5C10C9C11178.7°178.0°
C5C10C19H19157.4°64.1°
C5C10C19H192177.4°56.0°
C5C10C19H19362.6°176.0°
C10C5C4C30.0°3.5°
C10C5C4C6177.7°179.7°
C10C5C4H4180.0°177.3°
C10C5C6C765.8°53.0°
C10C5C6H6154.2°66.6°
C10C5C6H62174.2°172.5°
C5C10C9C858.1°56.4°
C5C10C9H961.1°62.4°
C10C9C11C12179.1°174.5°
C10C9C11C8123.1°120.0°
C10C9C11H9117.7°119.6°
C10C9C11H11159.2°54.0°
C10C9C11H11260.9°64.9°
C10C9C8C14179.6°177.4°
C9C10C19H19156.2°179.7°
C9C10C19H19263.8°60.3°
C9C10C19H193176.3°59.8°
C9C10C5C4112.4°125.4°
C9C10C5C665.5°54.2°
C10C9C8C755.7°63.2°
C10C9C8H9117.9°118.9°
C10C9C8H862.0°57.7°
C12C11C9H111120.0°120.5°
C12C11C9H112120.0°120.6°
C12C11H111H112119.7°118.9°
C11C12C13H121120.0°119.4°
C11C12C13H122120.0°119.5°
C11C12H121H122120.4°121.1°
C11C12C13C1463.7°64.1°
C11C12C13C17179.2°179.6°
C11C12C13C1860.2°54.4°
C12C11C9C856.0°54.6°
C12C11C9H963.2°65.9°
C9C11H111H112119.8°119.0°
C9C11C12C1359.3°57.3°
C9C11C12H12160.7°62.0°
C9C11C12H122179.3°176.8°
C11C9C8C1455.2°56.8°
C11C9C8C7179.8°176.2°
C11C9C8H9117.7°120.5°
C11C9C8H862.4°62.9°
H111C11C12C1360.7°63.2°
H111C11C12H121179.3°177.4°
H111C11C12H12259.3°56.3°
H111C11C9C863.9°65.9°
H111C11C9H9176.9°173.6°
H112C11C12C13179.3°177.9°
H112C11C12H12159.4°58.6°
H112C11C12H12260.7°62.6°
H112C11C9C8176.0°175.2°
H112C11C9H956.8°54.7°
C13C12H121H122120.4°121.1°
C12C13C14C17122.9°124.6°
C12C13C14C18125.2°118.9°
C12C13C17C18124.4°125.3°
C12C13C14C15168.5°168.5°
C12C13C14C862.5°69.5°
C12C13C14H1451.9°51.3°
C12C13C17C16147.9°148.1°
C12C13C17O232.9°32.5°
C12C13C18H181180.0°55.2°
C12C13C18H18260.0°175.2°
C12C13C18H18360.0°64.9°
H121C12C13C1456.3°55.3°
H121C12C13C1759.2°61.0°
H121C12C13C18179.8°173.8°
H122C12C13C14176.3°176.4°
H122C12C13C1760.9°60.1°
H122C12C13C1859.8°65.1°
C14C13C17C18115.3°116.2°
C13C14C15C8122.0°116.3°
C13C14C15H14124.4°117.3°
C13C14C8H14124.2°121.0°
C13C14C15C1643.6°40.8°
C13C14C15H15176.4°77.5°
C13C14C15H152163.6°158.9°
C14C13C17C1627.6°29.5°
C14C13C17O2153.2°151.0°
C14C13C18H18155.7°62.5°
C14C13C18H182175.7°57.5°
C14C13C18H18364.3°177.4°
C13C14C8C7178.6°177.1°
C13C14C8C957.7°63.9°
C13C14C8H861.1°56.5°
C17C13C14C1545.7°43.9°
C17C13C14C8174.7°165.9°
C17C13C14H1470.9°73.4°
C13C17C16C150.8°3.6°
C13C17C16O2179.2°179.5°
C13C17C16H161119.2°115.6°
C13C17C16H162120.8°122.7°
C17C13C18H18154.2°175.4°
C17C13C18H18265.8°55.4°
C17C13C18H183174.2°64.5°
C18C13C14C1566.3°72.6°
C18C13C14C862.7°49.5°
C18C13C14H14177.1°170.2°
C18C13C17C1687.7°86.6°
C18C13C17O291.5°92.8°
C13C18H181H182120.0°120.0°
C13C18H181H183120.0°120.1°
C13C18H182H183120.0°120.0°
C15C14C8H14115.5°126.5°
C14C15C16H151120.0°118.3°
C14C15C16H152120.0°118.2°
C14C15H151H152124.3°123.5°
C14C15C16C1725.3°23.4°
C14C15C16H161145.2°142.7°
C14C15C16H16294.7°95.8°
C15C14C8C758.3°64.6°
C15C14C8C9178.0°176.4°
C15C14C8H859.2°56.0°
C8C14C15C16165.6°157.1°
C8C14C15H15145.6°38.8°
C8C14C15H15274.4°84.8°
C14C8C7C6178.6°178.8°
C14C8C7C9123.7°117.8°
C14C8C7H8117.5°120.6°
C14C8C7H7161.3°58.6°
C14C8C7H7258.6°61.0°
C14C8C9H8117.6°119.7°
C14C8C9H962.5°63.7°
H14C14C15C1680.8°76.5°
H14C14C15H151159.2°165.2°
H14C14C15H15239.2°41.6°
H14C14C8C757.2°61.9°
H14C14C8C966.4°57.1°
H14C14C8H8174.8°177.5°
C16C15H151H152124.2°123.4°
C15C16C17H161120.0°119.1°
C15C16C17H162120.0°119.2°
C15C16H161H162121.3°121.5°
C15C16C17O2179.9°177.0°
H151C15C16C1794.7°94.8°
H151C15C16H16125.2°24.5°
H151C15C16H162145.3°145.9°
H152C15C16C17145.3°141.6°
H152C15C16H16194.7°99.1°
H152C15C16H16225.3°22.4°
C17C16H161H162121.2°121.8°
H161C16C17O259.9°63.9°
H162C16C17O260.1°57.8°
H181C18H182H183120.0°120.0°
H191C19H192H193120.0°120.0°
C3C2H21H22116.5°121.0°
C2C3C4O1179.1°180.0°
C2C3C4C50.7°23.6°
C2C3C4H4179.3°155.6°
H21C2C3C4131.4°171.6°
H21C2C3O149.6°8.3°
H22C2C3C4108.6°67.4°
H22C2C3O170.4°112.6°
C3C4C5H4180.0°179.2°
C3C4C5C6177.7°176.2°
O1C3C4C5179.8°156.4°
O1C3C4H40.2°24.4°
C4C5C6C7112.2°126.7°
C4C5C6H61127.8°113.7°
C4C5C6H627.8°7.2°
H4C4C5C62.3°3.0°
C5C6C7H61120.0°119.6°
C5C6C7H62120.0°119.6°
C5C6H61H62120.8°120.9°
C5C6C7C857.7°55.2°
C5C6C7H71177.7°175.4°
C5C6C7H7262.2°64.9°
C7C6H61H62120.7°120.8°
C6C7C8H71120.0°120.2°
C6C7C8H72120.0°120.2°
C6C7H71H72119.3°119.8°
C6C7C8C954.9°63.4°
C6C7C8H863.9°58.2°
H61C6C7C862.3°64.4°
H61C6C7H7157.8°55.8°
H61C6C7H72177.8°175.5°
H62C6C7C8177.8°174.8°
H62C6C7H7162.2°65.0°
H62C6C7H7257.8°54.7°
C8C7H71H72119.2°119.7°
C7C8C9H8117.7°120.9°
C7C8C9H962.1°55.7°
H71C7C8C9175.0°176.4°
H71C7C8H856.2°62.0°
H72C7C8C965.1°56.7°
H72C7C8H8176.1°178.3°
H8C8C9H9179.9°176.6°

246704

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