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4OA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.53Å1.54Å
C1C10sing1.53Å1.54Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C5C10sing1.53Å1.55Å
C10C9sing1.53Å1.55Å
C10C19sing1.53Å1.54Å
C9C11sing1.52Å1.55Å
C11C12sing1.54Å1.53Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C12C13sing1.52Å1.53Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C14C13sing1.55Å1.52Å
C13C17sing1.52Å1.54Å
C13C18sing1.53Å1.55Å
C8C14sing1.52Å1.53Å
C14C15sing1.53Å1.53Å
C14H14sing1.09Å1.10Å
C15C16sing1.55Å1.54Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C17C16sing1.55Å1.55Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C17C20sing1.53Å1.54Å
C17H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C18H18Bsing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C19H19Bsing1.09Å1.10Å
O1BC3sing1.43Å1.43Å
O1BHO1Bsing0.97Å0.95Å
C3C2sing1.53Å1.53Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C21C20sing1.53Å1.52Å
C20C22sing1.53Å1.53Å
C20H20sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C21H21Bsing1.09Å1.10Å
C23C22sing1.53Å1.54Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23C24sing1.51Å1.52Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
O4AC24doub1.21Å1.25Å
C24O4sing1.34Å1.26Å
C3C4sing1.53Å1.53Å
C3H3sing1.09Å1.10Å
C4C5sing1.53Å1.55Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
O4HO4sing0.97Å0.95Å
C5C6sing1.53Å1.54Å
C5H5sing1.09Å1.10Å
C6C7sing1.53Å1.53Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C7C8sing1.53Å1.52Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C9C8sing1.54Å1.53Å
C8H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C10112.7°109.4°
C2C1H1108.4°109.5°
C2C1H1A107.7°109.5°
C1C2C3110.7°109.5°
C1C2H2109.1°109.5°
C1C2H2A108.8°109.4°
C10C1H1108.4°109.4°
C10C1H1A107.7°109.5°
C1C10C5109.9°109.4°
C1C10C9108.9°109.4°
C1C10C19110.3°109.5°
H1C1H1A112.0°109.5°
C5C10C9110.0°109.4°
C5C10C19108.6°109.6°
C10C5C4114.8°109.4°
C10C5C6111.5°109.4°
C10C5H5104.4°109.5°
C9C10C19109.1°109.5°
C10C9C11113.2°110.0°
C10C9C8112.6°109.1°
C10C9H9106.1°108.8°
C10C19H19109.5°109.5°
C10C19H19A109.4°109.5°
C10C19H19B109.5°109.5°
C9C11C12112.8°111.4°
C9C11H11108.4°109.1°
C9C11H11A107.6°109.1°
C11C9C8113.6°111.6°
C11C9H9104.8°108.9°
C12C11H11108.4°109.1°
C12C11H11A107.6°109.1°
C11C12C13110.3°107.3°
C11C12H12109.2°109.9°
C11C12H12A109.0°109.9°
H11C11H11A112.1°109.0°
C13C12H12109.2°109.9°
C13C12H12A109.0°109.9°
C12C13C14108.2°107.4°
C12C13C17115.1°116.5°
C12C13C18110.0°109.7°
H12C12H12A110.2°109.9°
C14C13C17100.7°103.3°
C14C13C18111.7°109.7°
C13C14C8113.9°107.0°
C13C14C15105.2°101.6°
C13C14H14113.6°110.5°
C17C13C18110.8°109.8°
C13C17C16104.6°105.3°
C13C17C20116.9°110.3°
C13C17H17109.4°110.3°
C13C18H18109.5°109.5°
C13C18H18A109.5°109.5°
C13C18H18B109.5°109.5°
C8C14C15119.1°115.9°
C8C14H1497.5°111.0°
C14C8C7111.8°110.3°
C14C8C9108.7°107.2°
C14C8H8108.4°109.7°
C15C14H14107.6°110.4°
C14C15C16103.2°103.0°
C14C15H15111.6°110.8°
C14C15H15A113.0°110.7°
C16C15H15111.6°110.7°
C16C15H15A113.0°110.7°
C15C16C17107.0°106.3°
C15C16H16110.3°110.1°
C15C16H16A110.8°110.1°
H15C15H15A104.7°110.7°
C17C16H16110.3°110.1°
C17C16H16A110.8°110.1°
C16C17C20113.7°110.2°
C16C17H17113.0°110.3°
H16C16H16A107.6°110.1°
C20C17H1799.4°110.3°
C17C20C21112.6°109.5°
C17C20C22111.9°109.4°
C17C20H20105.9°109.5°
H18C18H18A109.5°109.5°
H18C18H18B109.5°109.4°
H18AC18H18B109.5°109.4°
H19C19H19A109.4°109.4°
H19C19H19B109.5°109.4°
H19AC19H19B109.5°109.5°
C3O1BHO1B109.5°114.0°
O1BC3C2109.2°109.5°
O1BC3C4108.8°109.5°
O1BC3H3110.4°109.5°
C3C2H2109.1°109.5°
C3C2H2A108.8°109.5°
C2C3C4110.4°109.5°
C2C3H3108.8°109.5°
H2C2H2A110.4°109.5°
C21C20C22110.4°109.5°
C21C20H20107.5°109.5°
C20C21H21109.5°109.5°
C20C21H21A109.5°109.5°
C20C21H21B109.4°109.4°
C22C20H20108.3°109.5°
C20C22C23114.6°109.4°
C20C22H22107.8°109.5°
C20C22H22A106.6°109.5°
H21C21H21A109.4°109.4°
H21C21H21B109.5°109.5°
H21AC21H21B109.5°109.5°
C23C22H22107.8°109.4°
C23C22H22A106.6°109.4°
C22C23C24110.4°109.4°
C22C23H23109.1°109.5°
C22C23H23A108.9°109.4°
H22C22H22A113.6°109.5°
C24C23H23109.1°109.5°
C24C23H23A108.9°109.5°
C23C24O4A119.4°120.0°
C23C24O4118.5°120.0°
H23C23H23A110.2°109.5°
O4AC24O4122.1°120.0°
C24O4HO4109.5°117.0°
C4C3H3109.2°109.4°
C3C4C5114.6°109.5°
C3C4H4107.8°109.4°
C3C4H4A106.6°109.4°
C5C4H4107.8°109.5°
C5C4H4A106.6°109.5°
C4C5C6110.2°109.4°
C4C5H5105.9°109.5°
H4C4H4A113.6°109.5°
C6C5H5109.6°109.6°
C5C6C7112.1°109.6°
C5C6H6108.6°109.4°
C5C6H6A108.0°109.4°
C7C6H6108.6°109.5°
C7C6H6A108.1°109.4°
C6C7C8111.4°109.4°
C6C7H7108.8°109.5°
C6C7H7A108.4°109.5°
H6C6H6A111.5°109.5°
C8C7H7108.8°109.5°
C8C7H7A108.4°109.5°
C7C8C9109.3°109.2°
C7C8H8107.8°109.8°
H7C7H7A111.0°109.5°
C9C8H8110.9°110.6°
C8C9H9105.6°108.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C10H1120.0°120.0°
C2C1C10H1A118.6°120.1°
C2C1H1H1A118.7°120.1°
C2C1C10C553.7°60.2°
C2C1C10C966.9°59.7°
C2C1C10C19173.4°179.7°
C1C2C3O1B176.5°180.0°
C1C2C3H2120.0°120.0°
C1C2C3H2A119.5°119.9°
C1C2H2H2A119.5°119.9°
C1C2C3C457.0°59.9°
C1C2C3H362.9°60.1°
C10C1H1H1A118.7°120.0°
C1C10C5C9119.9°119.9°
C1C10C5C19120.7°120.1°
C1C10C9C19120.5°120.0°
C1C10C9C1153.4°56.8°
C1C10C19H1910.4°60.0°
C1C10C19H19A109.6°180.0°
C1C10C19H19B130.4°60.0°
C10C1C2C360.7°60.0°
C10C1C2H2179.3°179.9°
C10C1C2H2A58.8°59.9°
C1C10C5C445.9°60.2°
C1C10C5C6172.1°179.9°
C1C10C5H569.6°59.9°
C1C10C9C8176.0°179.6°
C1C10C9H961.0°62.4°
H1C1C10C5173.7°59.8°
H1C1C10C953.1°179.6°
H1C1C10C1966.6°60.3°
H1C1C2C3179.3°59.9°
H1C1C2H259.3°60.1°
H1C1C2H2A61.2°179.9°
H1AC1C10C564.9°179.8°
H1AC1C10C9174.5°60.4°
H1AC1C10C1954.8°59.7°
H1AC1C2C358.0°179.9°
H1AC1C2H262.0°59.9°
H1AC1C2H2A177.5°60.1°
C5C10C9C19119.1°120.1°
C5C10C9C11173.9°176.7°
C5C10C19H19130.8°60.0°
C5C10C19H19A10.9°60.0°
C5C10C19H19B109.1°180.0°
C10C5C4C345.8°60.1°
C10C5C4C6126.8°119.9°
C10C5C4H5114.7°120.0°
C10C5C4H4165.8°179.9°
C10C5C4H4A71.9°59.9°
C10C5C6H5115.1°120.1°
C10C5C6C753.5°59.9°
C10C5C6H666.5°60.3°
C10C5C6H6A172.4°179.8°
C5C10C9C855.6°60.6°
C5C10C9H959.5°57.4°
C10C9C11C8130.0°121.3°
C10C9C11H9115.2°119.2°
C10C9C11C12179.9°176.2°
C10C9C11H1160.1°55.7°
C10C9C11H11A61.3°63.4°
C10C9C8C14179.5°179.8°
C9C10C19H19109.2°180.0°
C9C10C19H19A130.8°60.0°
C9C10C19H19B10.8°60.0°
C9C10C5C474.0°59.7°
C9C10C5C652.2°60.2°
C9C10C5H5170.5°179.7°
C10C9C8C758.2°60.7°
C10C9C8H9115.3°118.3°
C10C9C8H860.5°60.2°
C19C10C9C1167.1°63.2°
C10C19H19H19A120.0°120.0°
C10C19H19H19B120.0°120.0°
C10C19H19AH19B120.0°120.1°
C19C10C5C4166.6°179.7°
C19C10C5C667.2°59.9°
C19C10C5H551.1°60.2°
C19C10C9C863.5°59.6°
C19C10C9H9178.5°177.6°
C9C11C12H11120.0°120.5°
C9C11C12H11A118.5°120.5°
C9C11H11H11A118.6°119.1°
C9C11C12C1353.8°57.4°
C9C11C12H1266.2°62.1°
C9C11C12H12A173.4°176.9°
C11C9C8C1449.2°57.9°
C11C9C8C7171.4°177.5°
C11C9C8H9114.3°119.8°
C11C9C8H869.9°61.7°
C12C11H11H11A118.7°119.1°
C11C12C13H12120.0°119.4°
C11C12C13H12A119.6°119.5°
C11C12H12H12A119.7°121.1°
C11C12C13C1458.4°64.4°
C11C12C13C17170.0°179.6°
C11C12C13C1863.9°54.9°
C12C11C9C849.9°54.8°
C12C11C9H965.0°64.6°
H11C11C12C13173.8°63.1°
H11C11C12H1253.8°177.4°
H11C11C12H12A66.6°56.4°
H11C11C9C8169.9°65.7°
H11C11C9H955.1°174.9°
H11AC11C12C1364.7°177.9°
H11AC11C12H12175.3°58.4°
H11AC11C12H12A54.9°62.6°
H11AC11C9C868.7°175.3°
H11AC11C9H9176.5°55.8°
C13C12H12H12A119.6°121.1°
C12C13C14C17121.1°123.8°
C12C13C14C18121.2°119.2°
C12C13C17C18125.7°125.5°
C12C13C14C862.1°69.9°
C12C13C14C15165.6°168.2°
C12C13C14H1448.3°51.0°
C12C13C17C16153.0°146.8°
C12C13C17C2080.3°94.3°
C12C13C17H1731.6°27.8°
C12C13C18H189.7°57.8°
C12C13C18H18A110.3°177.8°
C12C13C18H18B129.7°62.2°
H12C12C13C1461.6°55.0°
H12C12C13C1750.0°60.2°
H12C12C13C18176.1°174.3°
H12AC12C13C14178.0°176.1°
H12AC12C13C1770.3°60.9°
H12AC12C13C1855.7°64.6°
C14C13C17C18118.3°117.0°
C13C14C8C15125.1°112.5°
C13C14C8H14119.9°120.6°
C13C14C15H14121.4°117.2°
C13C14C15C1634.2°41.6°
C13C14C15H1585.8°76.8°
C13C14C15H15A156.6°159.9°
C14C13C17C1636.9°29.3°
C14C13C17C20163.6°148.2°
C14C13C17H1784.4°89.7°
C14C13C18H18129.8°60.0°
C14C13C18H18A9.8°60.0°
C14C13C18H18B110.2°180.0°
C13C14C8C7177.5°176.7°
C13C14C8C956.8°64.5°
C13C14C8H863.9°55.6°
C17C13C14C8176.7°166.3°
C17C13C14C1544.5°44.4°
C17C13C14H1472.9°72.7°
C13C17C16C1516.7°3.4°
C13C17C16C20128.7°119.0°
C13C17C16H17118.9°119.0°
C13C17C16H16103.3°115.7°
C13C17C16H16A137.7°122.7°
C13C17C20H17117.5°122.1°
C17C13C18H18118.8°172.9°
C17C13C18H18A121.2°52.9°
C17C13C18H18B1.2°67.1°
C13C17C20C2168.0°65.9°
C13C17C20C22167.0°174.1°
C13C17C20H2049.2°54.2°
C18C13C14C859.1°49.3°
C18C13C14C1573.2°72.6°
C18C13C14H14169.5°170.2°
C18C13C17C1681.4°87.7°
C18C13C17C2045.3°31.2°
C18C13C17H17157.3°153.3°
C13C18H18H18A120.0°120.0°
C13C18H18H18B120.0°120.0°
C13C18H18AH18B120.0°120.0°
C8C14C15H14109.4°127.2°
C8C14C15C16163.5°157.2°
C8C14C15H1543.5°38.8°
C8C14C15H15A74.2°84.5°
C14C8C7C6178.2°178.0°
C14C8C7C9120.4°117.6°
C14C8C7H8119.0°121.0°
C14C8C7H761.8°62.0°
C14C8C7H7A59.0°58.0°
C14C8C9H8119.0°119.6°
C14C8C9H965.2°61.9°
C14C15C16H15120.0°118.4°
C14C15C16H15A122.3°118.4°
C14C15H15H15A122.5°123.3°
C14C15C16C1710.3°24.0°
C14C15C16H16130.3°143.2°
C14C15C16H16A110.7°95.3°
C15C14C8C757.3°64.2°
C15C14C8C9178.1°177.0°
C15C14C8H861.3°56.8°
H14C14C15C1687.1°75.6°
H14C14C15H15152.9°166.0°
H14C14C15H15A35.2°42.7°
H14C14C8C757.6°62.7°
H14C14C8C963.2°56.1°
H14C14C8H8176.2°176.2°
C16C15H15H15A122.6°123.1°
C15C16C17H16120.0°119.2°
C15C16C17H16A120.9°119.2°
C15C16H16H16A121.0°121.5°
C15C16C17C20145.4°122.4°
C15C16C17H17102.2°115.5°
H15C15C16C17109.7°94.5°
H15C15C16H1610.3°24.7°
H15C15C16H16A129.4°146.3°
H15AC15C16C17132.6°142.4°
H15AC15C16H16107.4°98.4°
H15AC15C16H16A11.6°23.1°
C17C16H16H16A121.0°121.6°
C16C17C20H17120.4°122.0°
C16C17C20C21169.9°178.2°
C16C17C20C2244.9°58.2°
C16C17C20H2072.9°61.7°
H16C16C17C2025.4°3.2°
H16C16C17H17137.8°125.3°
H16AC16C17C2093.6°118.4°
H16AC16C17H1718.7°3.7°
C17C20C21C22125.8°120.0°
C17C20C21H20116.2°120.0°
C17C20C22H20116.3°120.0°
C17C20C21H2134.8°56.1°
C17C20C21H21A85.1°63.9°
C17C20C21H21B154.9°176.1°
C17C20C22C2362.8°175.0°
C17C20C22H22177.2°55.0°
C17C20C22H22A54.9°65.0°
H17C17C20C2149.6°56.2°
H17C17C20C2275.5°63.8°
H17C17C20H20166.8°176.2°
H18C18H18AH18B120.0°119.9°
H19C19H19AH19B120.0°120.0°
O1BC3C2C4119.5°120.0°
O1BC3C2H3120.6°120.0°
O1BC3C2H263.5°60.0°
O1BC3C2H2A57.0°60.0°
O1BC3C4H3120.6°120.0°
O1BC3C4C5169.9°180.0°
O1BC3C4H470.1°60.0°
O1BC3C4H4A52.2°60.0°
HO1BO1BC3C2125.9°60.0°
HO1BO1BC3C45.4°180.0°
HO1BO1BC3H3114.5°60.0°
C3C2H2H2A119.5°120.0°
C2C3C4H3119.6°120.0°
C2C3C4C550.1°60.0°
C2C3C4H4170.1°180.0°
C2C3C4H4A67.6°60.1°
H2C2C3C4177.0°179.9°
H2C2C3H357.1°60.0°
H2AC2C3C462.5°60.0°
H2AC2C3H3177.6°180.0°
C21C20C22H20117.5°120.1°
C20C21H21H21A120.0°120.0°
C20C21H21H21B120.0°120.0°
C20C21H21AH21B120.0°120.0°
C21C20C22C2363.4°65.0°
C21C20C22H2256.6°175.0°
C21C20C22H22A178.9°54.9°
C22C20C21H2191.0°63.9°
C22C20C21H21A149.0°176.1°
C22C20C21H21B29.0°56.2°
C20C22C23H22120.0°120.1°
C20C22C23H22A117.7°120.0°
C20C22H22H22A117.9°120.1°
C20C22C23C24173.4°180.0°
C20C22C23H2366.6°60.0°
C20C22C23H23A53.8°60.0°
H20C20C21H21151.1°176.1°
H20C20C21H21A31.1°56.1°
H20C20C21H21B88.9°63.9°
H20C20C22C23179.2°55.1°
H20C20C22H2260.9°64.9°
H20C20C22H22A61.4°175.0°
H21C21H21AH21B120.0°120.0°
C23C22H22H22A117.9°119.9°
C22C23C24H23120.0°120.0°
C22C23C24H23A119.6°120.0°
C22C23H23H23A119.6°120.0°
C22C23C24O4A162.8°0.0°
C22C23C24O417.0°180.0°
H22C22C23C2453.4°60.0°
H22C22C23H23173.4°180.0°
H22C22C23H23A66.2°60.1°
H22AC22C23C2468.9°60.0°
H22AC22C23H2351.1°60.0°
H22AC22C23H23A171.5°180.0°
C24C23H23H23A119.6°120.0°
C23C24O4AO4179.8°180.0°
C23C24O4HO4179.8°180.0°
H23C23C24O4A77.2°120.0°
H23C23C24O4103.0°60.0°
H23AC23C24O4A43.2°120.0°
H23AC23C24O4136.6°60.0°
O4AC24O4HO40.0°0.0°
C3C4C5H4120.0°120.0°
C3C4C5H4A117.7°120.0°
C3C4H4H4A117.9°119.9°
C3C4C5C6172.7°179.9°
C3C4C5H568.8°59.9°
H3C3C4C569.5°60.0°
H3C3C4H450.5°60.0°
H3C3C4H4A172.8°179.9°
C5C4H4H4A117.9°120.1°
C4C5C6H5116.2°120.1°
C4C5C6C775.2°60.0°
C4C5C6H6164.9°179.9°
C4C5C6H6A43.8°60.0°
H4C4C5C667.3°60.1°
H4C4C5H551.2°60.0°
H4AC4C5C654.9°60.0°
H4AC4C5H5173.4°179.9°
C5C6C7H6120.0°120.1°
C5C6C7H6A118.9°120.0°
C5C6H6H6A119.0°119.9°
C5C6C7C856.5°60.1°
C5C6C7H7176.5°179.9°
C5C6C7H7A62.6°59.9°
H5C5C6C7168.6°179.9°
H5C5C6H648.6°59.8°
H5C5C6H6A72.5°60.1°
C7C6H6H6A118.9°120.0°
C6C7C8H7120.0°120.0°
C6C7C8H7A119.2°120.0°
C6C7H7H7A119.2°120.0°
C6C7C8C957.8°60.4°
C6C7C8H862.9°61.0°
H6C6C7C863.5°60.0°
H6C6C7H756.5°60.0°
H6C6C7H7A177.4°179.9°
H6AC6C7C8175.4°179.9°
H6AC6C7H764.5°59.9°
H6AC6C7H7A56.3°60.1°
C8C7H7H7A119.2°120.1°
C7C8C9H8118.7°120.9°
C7C8C9H957.1°57.6°
H7C7C8C9177.8°179.6°
H7C7C8H857.2°59.0°
H7AC7C8C961.4°59.6°
H7AC7C8H8178.0°179.1°
H8C8C9H9175.8°178.5°

225946

PDB entries from 2024-10-09

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