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EED

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C9C11sing1.52Å1.54Å
C9C8sing1.54Å1.53Å
C9C10sing1.50Å1.53Å
C9H9sing1.10Å1.10Å
C10C1doub1.39Å1.41ÅAromatic
C10C5sing1.38Å1.39ÅAromatic
C1C2sing1.38Å1.40ÅAromatic
C1H1sing1.08Å1.08Å
C2C3doub1.39Å1.39ÅAromatic
C2H2sing1.08Å1.08Å
C3C4sing1.38Å1.38ÅAromatic
C3O3sing1.36Å1.37Å
O3HO3sing0.97Å0.95Å
C4C5doub1.39Å1.36ÅAromatic
C4H4sing1.08Å1.08Å
C5C6sing1.51Å1.54Å
C6C7sing1.53Å1.54Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C7C8sing1.53Å1.53Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C8C14sing1.50Å1.52Å
C8H8sing1.09Å1.10Å
C14C13sing1.55Å1.51Å
C14C15sing1.53Å1.52Å
C14H14sing1.11Å1.10Å
C15C16sing1.56Å1.56Å
C15H151sing1.08Å1.10Å
C15H152sing1.09Å1.10Å
C16C17sing1.55Å1.53Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17O17sing1.43Å1.44Å
C17C13sing1.54Å1.51Å
C17H17sing1.09Å1.10Å
O17HO17sing0.97Å0.95Å
C13C12sing1.50Å1.55Å
C13C18sing1.53Å1.54Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C18H183sing1.09Å1.10Å
C12C11sing1.53Å1.54Å
C12H121sing1.10Å1.10Å
C12H122sing1.10Å1.10Å
C11C19sing1.53Å1.54Å
C11H11sing1.11Å1.10Å
C19O20sing1.43Å1.45Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
O20C21sing1.43Å1.43Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H213sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C9C8109.1°111.5°
C11C9C10112.3°113.3°
C11C9H9109.3°107.0°
C9C11C12109.7°113.9°
C9C11C19114.6°110.7°
C9C11H11106.7°106.9°
C8C9C10113.7°111.3°
C8C9H9107.8°106.6°
C9C8C7112.2°108.0°
C9C8C14105.3°105.1°
C9C8H8111.3°110.4°
C10C9H9104.3°106.8°
C9C10C1121.0°118.5°
C9C10C5118.3°122.2°
C1C10C5120.7°119.3°
C10C1C2120.6°120.9°
C10C1H1119.7°119.7°
C10C5C4116.9°119.8°
C10C5C6126.3°122.6°
C2C1H1119.7°119.4°
C1C2C3118.3°119.7°
C1C2H2120.9°120.1°
C3C2H2120.8°120.2°
C2C3C4119.1°119.6°
C2C3O3124.6°120.2°
C4C3O3116.3°120.2°
C3C4C5124.4°120.6°
C3C4H4117.8°119.7°
C3O3HO3109.5°114.0°
C5C4H4117.8°119.7°
C4C5C6116.8°117.6°
C5C6C7111.0°110.5°
C5C6H61109.0°109.3°
C5C6H62108.6°109.1°
C7C6H61108.9°109.3°
C7C6H62108.6°109.1°
C6C7C8110.1°107.6°
C6C7H71109.3°109.6°
C6C7H72109.1°109.8°
H61C6H62110.7°109.5°
C8C7H71109.2°109.8°
C8C7H72109.1°109.8°
C7C8C14111.6°112.1°
C7C8H8104.9°109.0°
H71C7H72110.0°110.1°
C14C8H8111.8°112.1°
C8C14C13111.4°109.5°
C8C14C15117.8°118.9°
C8C14H14100.1°108.9°
C13C14C15101.8°101.6°
C13C14H14116.5°109.1°
C14C13C1799.2°100.8°
C14C13C12109.1°110.6°
C14C13C18111.3°111.6°
C15C14H14110.0°108.4°
C14C15C16100.8°101.2°
C14C15H151112.5°112.7°
C14C15H152114.3°110.5°
C16C15H151112.5°111.7°
C16C15H152114.3°110.1°
C15C16C17106.7°106.1°
C15C16H161110.4°110.1°
C15C16H162111.0°109.9°
H151C15H152103.0°110.4°
C17C16H161110.4°110.2°
C17C16H162111.0°110.1°
C16C17O17110.2°110.6°
C16C17C13101.6°105.0°
C16C17H17115.4°110.7°
H161C16H162107.4°110.4°
O17C17C13113.1°109.7°
O17C17H17104.3°111.0°
C17O17HO17109.5°114.0°
C13C17H17112.6°109.7°
C17C13C12112.2°115.5°
C17C13C18111.1°107.0°
C12C13C18113.2°110.9°
C13C12C11111.0°113.7°
C13C12H121109.0°108.8°
C13C12H122108.6°109.1°
C13C18H181109.5°109.4°
C13C18H182109.5°109.5°
C13C18H183109.4°109.5°
H181C18H182109.5°109.5°
H181C18H183109.5°109.5°
H182C18H183109.5°109.5°
C11C12H121109.0°109.0°
C11C12H122108.6°109.2°
C12C11C19112.3°111.2°
C12C11H11109.3°107.1°
H121C12H122110.6°106.7°
C19C11H11103.8°106.6°
C11C19O20107.4°109.5°
C11C19H191110.2°109.5°
C11C19H192110.6°109.5°
O20C19H191110.2°109.5°
O20C19H192110.7°109.5°
C19O20C21110.4°114.0°
H191C19H192107.8°109.4°
O20C21H211109.5°109.5°
O20C21H212109.5°109.5°
O20C21H213109.4°109.4°
H211C21H212109.5°109.5°
H211C21H213109.4°109.5°
H212C21H213109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C9C8C10126.2°127.5°
C11C9C8H9118.6°116.5°
C11C9C10H9118.3°117.5°
C11C9C10C139.3°40.7°
C11C9C10C5140.7°140.8°
C11C9C8C7173.7°177.6°
C11C9C8C1464.8°62.6°
C11C9C8H856.5°58.5°
C9C11C12C1354.5°42.4°
C9C11C12C19128.7°126.0°
C9C11C12H11116.6°118.0°
C9C11C12H121174.5°164.0°
C9C11C12H12264.9°79.7°
C9C11C19H11115.9°115.9°
C9C11C19O20173.3°176.5°
C9C11C19H19153.3°56.4°
C9C11C19H19265.8°63.6°
C8C9C10H9117.2°115.9°
C8C9C10C1163.8°167.3°
C8C9C10C516.2°14.2°
C9C8C7C662.2°70.7°
C9C8C7C14117.8°115.3°
C9C8C7H8120.9°120.0°
C9C8C7H71177.8°170.1°
C9C8C7H7257.5°48.9°
C9C8C14H8120.9°119.9°
C9C8C14C1366.2°67.9°
C9C8C14C15176.8°176.1°
C9C8C14H1457.7°51.3°
C8C9C11C1260.8°50.5°
C8C9C11C1966.7°75.7°
C8C9C11H11179.1°168.6°
C9C10C1C5180.0°178.6°
C9C10C1C2179.0°178.9°
C9C10C1H11.0°1.7°
C9C10C5C4179.1°178.4°
C9C10C5C60.1°3.0°
C10C9C8C747.4°50.1°
C10C9C8C14168.9°169.9°
C10C9C8H869.8°69.0°
C10C9C11C12172.2°177.0°
C10C9C11C1960.4°50.8°
C10C9C11H1153.9°64.9°
H9C9C10C179.0°76.8°
H9C9C10C5101.0°101.7°
H9C9C8C767.7°65.9°
H9C9C8C1453.8°53.9°
H9C9C8H8175.1°174.9°
H9C9C11C1256.9°65.7°
H9C9C11C19175.7°168.1°
H9C9C11H1161.4°52.4°
C10C1C2H1180.0°179.4°
C10C1C2C30.9°0.5°
C10C1C2H2179.1°179.7°
C1C10C5C40.9°3.1°
C1C10C5C6179.9°175.5°
C5C10C1C20.9°2.5°
C5C10C1H1179.0°176.9°
C10C5C4C30.9°1.8°
C10C5C4C6179.0°178.7°
C10C5C4H4179.1°178.1°
C10C5C6C714.5°16.7°
C10C5C6H61105.5°103.6°
C10C5C6H62133.8°136.7°
C1C2C3H2180.0°179.8°
C1C2C3C40.8°0.9°
C1C2C3O3179.8°179.0°
H1C1C2C3179.1°178.9°
H1C1C2H20.9°0.9°
C2C3C4O3179.0°179.9°
C2C3O3HO3167.4°90.0°
C2C3C4C50.9°0.3°
C2C3C4H4179.1°179.9°
H2C2C3C4179.2°178.9°
H2C2C3O30.2°1.2°
C4C3O3HO311.6°90.0°
C3C4C5H4180.0°179.9°
C3C4C5C6180.0°177.0°
O3C3C4C5180.0°179.7°
O3C3C4H40.0°0.2°
C4C5C6C7166.5°162.0°
C4C5C6H6173.5°77.7°
C4C5C6H6247.2°42.0°
H4C4C5C60.0°3.2°
C5C6C7H61120.0°120.3°
C5C6C7H62119.3°120.0°
C5C6H61H62119.4°119.5°
C5C6C7C843.9°52.3°
C5C6C7H71163.9°171.7°
C5C6C7H7275.8°67.2°
C7C6H61H62119.3°119.5°
C6C7C8H71120.0°119.3°
C6C7C8H72119.7°119.5°
C6C7H71H72119.7°120.9°
C6C7C8C14180.0°174.0°
C6C7C8H858.7°49.4°
H61C6C7C876.1°68.0°
H61C6C7H7143.9°51.4°
H61C6C7H72164.2°172.5°
H62C6C7C8163.2°172.3°
H62C6C7H7176.8°68.4°
H62C6C7H7243.5°52.7°
C8C7H71H72119.7°121.0°
C7C8C14H8117.2°123.0°
C7C8C14C13171.9°175.0°
C7C8C14C1554.9°59.0°
C7C8C14H1464.2°65.8°
H71C7C8C1460.0°54.8°
H71C7C8H861.3°69.9°
H72C7C8C1460.3°66.4°
H72C7C8H8178.4°168.9°
C8C14C13C15126.4°126.5°
C8C14C13H14113.9°119.1°
C8C14C15H14113.7°125.0°
C8C14C15C16162.9°166.2°
C8C14C15H15142.9°46.8°
C8C14C15H15274.0°77.3°
C8C14C13C17178.4°175.7°
C8C14C13C1261.1°61.6°
C8C14C13C1864.5°62.4°
H8C8C14C1354.7°52.0°
H8C8C14C1562.3°64.0°
H8C8C14H14178.6°171.3°
C13C14C15H14124.2°114.9°
C13C14C15C1640.8°46.1°
C13C14C15H15179.2°73.3°
C13C14C15H152163.9°162.6°
C14C13C17C1645.7°32.4°
C14C13C17O17163.9°151.2°
C14C13C17C12115.0°119.2°
C14C13C17C18117.2°116.8°
C14C13C17H1778.2°86.6°
C14C13C12C18124.5°124.4°
C14C13C18H18121.0°67.1°
C14C13C18H18299.1°172.9°
C14C13C18H183141.0°52.9°
C14C13C12C1153.8°46.7°
C14C13C12H121173.8°168.5°
C14C13C12H12265.5°75.4°
C14C15C16H151120.0°120.1°
C14C15C16H152123.0°116.9°
C14C15H151H152123.5°124.0°
C14C15C16C1712.0°25.6°
C14C15C16H161132.0°144.8°
C14C15C16H162109.1°93.4°
C15C14C13C1755.2°49.2°
C15C14C13C12172.6°171.9°
C15C14C13C1861.9°64.1°
H14C14C15C1683.3°68.8°
H14C14C15H151156.7°171.7°
H14C14C15H15239.7°47.7°
H14C14C13C1764.5°65.2°
H14C14C13C1252.9°57.5°
H14C14C13C18178.5°178.5°
C16C15H151H152123.5°122.8°
C15C16C17H161120.0°119.1°
C15C16C17H162121.1°118.9°
C15C16H161H162121.2°121.5°
C15C16C17O17141.0°122.7°
C15C16C17C1320.8°4.4°
C15C16C17H17101.2°113.8°
H151C15C16C17108.0°94.5°
H151C15C16H16112.0°24.7°
H151C15C16H162130.9°146.5°
H152C15C16C17135.0°142.5°
H152C15C16H161105.0°98.3°
H152C15C16H16214.0°23.5°
C17C16H161H162121.1°121.8°
C16C17O17C13113.0°115.4°
C16C17O17H17124.4°123.3°
C16C17C13H17124.0°118.9°
C16C17O17HO1787.2°61.4°
C16C17C13C12160.8°151.6°
C16C17C13C1871.4°84.4°
H161C16C17O1721.0°3.6°
H161C16C17C1399.2°114.7°
H161C16C17H17138.8°127.0°
H162C16C17O1797.9°118.4°
H162C16C17C13141.9°123.3°
H162C16C17H1719.9°5.1°
O17C17C13H17117.9°122.2°
O17C17C13C1281.1°89.5°
O17C17C13C1846.7°34.4°
C13C17O17HO1725.8°176.8°
C17C13C12C18126.7°121.9°
C17C13C18H181130.5°42.3°
C17C13C18H18210.4°77.7°
C17C13C18H183109.5°162.3°
C17C13C12C11162.7°160.4°
C17C13C12H12177.3°77.8°
C17C13C12H12243.3°38.2°
H17C17O17HO17148.4°61.8°
H17C17C13C1236.8°32.7°
H17C17C13C18164.6°156.6°
C12C13C18H181102.3°169.1°
C12C13C18H182137.7°49.1°
C12C13C18H18317.7°71.0°
C13C12C11H121120.0°121.7°
C13C12C11H122119.4°122.1°
C13C12H121H122119.4°117.6°
C13C12C11C1974.3°83.6°
C13C12C11H11171.1°160.3°
C13C18H181H182120.0°120.0°
C13C18H181H183120.0°120.0°
C13C18H182H183120.0°120.0°
C18C13C12C1170.6°77.7°
C18C13C12H12149.4°44.1°
C18C13C12H122170.0°160.2°
H181C18H182H183120.0°120.0°
C11C12H121H122119.4°117.8°
C12C11C19H11117.9°116.4°
C12C11C19O2060.5°55.8°
C12C11C19H191179.4°175.8°
C12C11C19H19260.3°64.2°
H121C12C11C1945.7°38.1°
H121C12C11H1168.9°78.0°
H122C12C11C19166.4°154.3°
H122C12C11H1151.7°38.3°
C11C19O20H191120.0°120.0°
C11C19O20H192120.8°120.0°
C11C19H191H192120.8°120.0°
C11C19O20C21178.7°180.0°
H11C11C19O2057.4°60.5°
H11C11C19H19162.6°59.5°
H11C11C19H192178.2°179.5°
O20C19H191H192120.9°120.0°
C19O20C21H21124.5°60.0°
C19O20C21H21295.5°60.0°
C19O20C21H213144.5°180.0°
H191C19O20C2161.3°60.0°
H192C19O20C2157.9°60.0°
O20C21H211H212120.0°120.0°
O20C21H211H213120.0°119.9°
O20C21H212H213120.0°120.0°
H211C21H212H213120.0°120.0°

224004

PDB entries from 2024-08-21

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