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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.47Å
C2O1sing1.43Å1.42Å
O1C3sing1.43Å1.41Å
C3O2sing1.43Å1.45Å
O2C4sing1.36Å1.39Å
C4C5doub1.39Å1.39ÅAromatic
C4C22sing1.39Å1.39ÅAromatic
C5C6sing1.39Å1.38ÅAromatic
C6O3sing1.36Å1.35Å
C6C7doub1.40Å1.41ÅAromatic
C7C8sing1.40Å1.42ÅAromatic
C7C21sing1.47Å1.49Å
C8C9sing1.51Å1.53Å
C8C22doub1.37Å1.40ÅAromatic
C9C10sing1.53Å1.53Å
C10C11sing1.53Å1.53Å
C11C12sing1.53Å1.52Å
C12C13sing1.53Å1.55Å
C13O4sing1.43Å1.44Å
C13C14sing1.53Å1.54Å
C14O5sing1.43Å1.41Å
C14C15sing1.50Å1.52Å
C15O6doub1.21Å1.22Å
C15C16sing1.51Å1.51Å
C16C17sing1.53Å1.52Å
C17C18sing1.53Å1.53Å
C18C19sing1.53Å1.52Å
C19C20sing1.53Å1.52Å
C19O7sing1.45Å1.47Å
O7C21sing1.34Å1.34Å
C21O8doub1.22Å1.20Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C5H8sing1.08Å1.08Å
C9H10sing1.09Å1.10Å
C9H11sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C11H15sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C12H17sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C13H18sing1.10Å1.10Å
C14H20sing1.10Å1.10Å
C16H161sing1.09Å1.10Å
C16H22sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C17H23sing1.09Å1.10Å
C18H24sing1.09Å1.10Å
C18H25sing1.09Å1.10Å
C19H26sing1.09Å1.10Å
C20H29sing1.09Å1.10Å
C20H28sing1.09Å1.10Å
C20H27sing1.09Å1.10Å
C22H30sing1.08Å1.08Å
C3H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
O3H9sing0.97Å0.95Å
O4H19sing0.97Å0.95Å
O5H21sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2O1111.0°109.5°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C2C1H1109.5°109.5°
C1C2H5109.1°109.5°
C1C2H4109.1°109.5°
C2O1C3114.5°114.0°
O1C2H5109.1°109.4°
O1C2H4109.1°109.5°
O1C3O2119.5°109.5°
O1C3H6106.9°109.4°
O1C3H7106.9°109.5°
C3O2C4115.9°117.0°
O2C3H6106.9°109.5°
O2C3H7106.9°109.5°
O2C4C5117.6°119.9°
O2C4C22122.4°120.0°
C5C4C22120.0°120.2°
C4C5C6118.9°119.8°
C4C5H8120.6°120.2°
C4C22C8121.9°120.6°
C4C22H30119.0°119.7°
C5C6O3116.1°119.7°
C5C6C7122.4°119.8°
C6C5H8120.6°120.0°
O3C6C7121.5°120.5°
C6O3H9109.5°114.1°
C6C7C8118.3°119.6°
C6C7C21115.2°120.8°
C8C7C21126.5°119.6°
C7C8C9122.1°120.6°
C7C8C22118.5°119.9°
C7C21O7115.6°122.5°
C7C21O8121.9°117.6°
C9C8C22119.4°119.5°
C8C9C10116.0°110.9°
C8C9H10107.8°109.4°
C8C9H11107.8°109.0°
C8C22H30119.0°119.7°
C9C10C11114.7°110.0°
C10C9H10107.8°110.0°
C10C9H11107.8°109.1°
C9C10H13108.1°110.2°
C9C10H12108.1°109.2°
C10C11C12114.2°110.4°
C11C10H13108.1°109.7°
C11C10H12108.1°109.0°
C10C11H15108.3°109.3°
C10C11H14108.3°109.1°
C11C12C13116.8°110.1°
C12C11H15108.3°109.7°
C12C11H14108.3°109.3°
C11C12H17107.6°109.2°
C11C12H16107.6°110.0°
C12C13O4109.6°109.8°
C12C13C14113.4°110.0°
C13C12H17107.6°109.1°
C13C12H16107.6°109.3°
C12C13H18107.0°108.7°
O4C13C14111.0°110.5°
O4C13H18108.4°108.8°
C13O4H19109.5°114.0°
C13C14O5113.4°109.2°
C13C14C15106.4°111.5°
C14C13H18107.2°109.0°
C13C14H20108.1°109.1°
O5C14C15110.6°109.3°
O5C14H20109.8°108.6°
C14O5H21109.5°114.0°
C14C15O6117.7°120.8°
C14C15C16119.0°120.0°
C15C14H20108.3°109.1°
O6C15C16123.3°119.2°
C15C16C17119.6°109.9°
C15C16H161106.9°109.2°
C15C16H22106.9°109.5°
C16C17C18117.3°109.2°
C17C16H161106.9°109.2°
C17C16H22106.9°109.6°
C16C17H171107.5°109.4°
C16C17H23107.5°109.5°
C17C18C19116.7°110.8°
C18C17H171107.5°109.7°
C18C17H23107.5°109.6°
C17C18H24107.6°109.1°
C17C18H25107.6°108.5°
C18C19C20113.2°109.9°
C18C19O7104.3°109.8°
C19C18H24107.7°109.5°
C19C18H25107.6°109.5°
C18C19H26109.7°109.4°
C20C19O7109.3°109.5°
C20C19H26109.8°109.1°
C19C20H29109.5°109.5°
C19C20H28109.5°109.5°
C19C20H27109.5°109.5°
C19O7C21119.2°118.7°
O7C19H26110.4°109.2°
O7C21O8122.4°119.9°
H2C1H3109.5°109.4°
H2C1H1109.4°109.5°
H3C1H1109.5°109.5°
H5C2H4109.5°109.5°
H10C9H11109.4°108.5°
H13C10H12109.5°108.8°
H15C11H14109.5°109.0°
H17C12H16109.4°109.2°
H161C16H22109.5°109.5°
H171C17H23109.5°109.6°
H24C18H25109.5°109.3°
H29C20H28109.5°109.4°
H29C20H27109.4°109.5°
H28C20H27109.5°109.4°
H6C3H7109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2O1H5120.2°120.0°
C1C2O1H4120.2°120.0°
C1C2O1C364.6°180.0°
C2C1H2H3120.0°120.0°
C2C1H2H1120.0°120.0°
C2C1H3H1120.0°120.1°
C1C2H5H4119.3°120.0°
C2O1C3O2165.9°75.0°
O1C2C1H2180.0°60.0°
O1C2C1H360.0°60.0°
O1C2C1H160.0°180.0°
O1C2H5H4119.3°120.0°
C2O1C3H672.7°165.0°
C2O1C3H744.5°45.1°
O1C3O2H6121.4°120.0°
O1C3O2H7121.4°120.0°
O1C3O2C4154.4°75.0°
C3O1C2H555.6°60.0°
C3O1C2H4175.1°59.9°
O1C3H6H7115.5°120.0°
C3O2C4C518.6°0.1°
C3O2C4C22159.8°180.0°
O2C3H6H7115.5°120.1°
O2C4C5C22178.4°179.9°
O2C4C5C6178.3°179.3°
O2C4C22C8177.7°179.6°
O2C4C5H81.7°0.5°
O2C4C22H302.3°0.2°
C4O2C3H684.2°44.9°
C4O2C3H733.0°164.9°
C4C5C6H8180.0°179.8°
C4C5C6O3179.8°179.4°
C4C5C6C70.6°0.9°
C5C4C22C80.6°0.6°
C5C4C22H30179.4°179.7°
C22C4C5C60.1°0.9°
C4C22C8C71.7°1.5°
C4C22C8C9178.2°178.1°
C4C22C8H30180.0°179.7°
C22C4C5H8179.9°179.4°
C5C6O3C7179.2°179.7°
C5C6C7C81.7°2.9°
C5C6C7C21179.0°177.2°
C5C6O3H9174.7°90.0°
O3C6C7C8179.2°177.4°
O3C6C7C211.9°2.5°
O3C6C5H80.2°0.8°
C6C7C8C21177.0°179.9°
C6C7C8C9177.7°176.3°
C6C7C8C222.1°3.2°
C6C7C21O7172.3°30.8°
C6C7C21O810.3°147.0°
C7C6C5H8179.3°178.9°
C7C6O3H96.1°89.7°
C7C8C9C22179.8°179.5°
C7C8C9C10168.2°86.8°
C8C7C21O710.6°149.2°
C8C7C21O8166.8°33.1°
C7C8C9H1070.8°34.7°
C7C8C9H1147.2°153.2°
C7C8C22H30178.4°178.3°
C21C7C8C90.7°3.6°
C21C7C8C22179.1°176.9°
C7C21O7C19168.0°177.9°
C7C21O7O8177.4°177.7°
C8C9C10H10121.0°121.1°
C8C9C10H11121.0°120.0°
C8C9C10C11170.7°169.6°
C8C9H10H11117.0°118.8°
C8C9C10H1349.9°48.5°
C8C9C10H1268.6°70.9°
C9C8C22H301.8°2.2°
C22C8C9C1011.6°93.7°
C22C8C9H10109.4°144.8°
C22C8C9H11132.6°26.4°
C9C10C11H13120.8°121.3°
C9C10C11H12120.8°119.6°
C9C10C11C1248.4°49.5°
C10C9H10H11117.0°119.2°
C9C10H13H12117.6°119.6°
C9C10C11H1572.3°170.2°
C9C10C11H14169.1°70.7°
C10C11C12H15120.7°120.4°
C10C11C12H14120.7°120.1°
C10C11C12C1355.8°150.1°
C11C10C9H1068.4°48.4°
C11C10C9H1149.7°70.4°
C11C10H13H12117.6°119.1°
C10C11H15H14117.8°119.2°
C10C11C12H1765.3°90.2°
C10C11C12H16176.9°29.6°
C11C12C13H17121.1°119.8°
C11C12C13H16121.1°120.9°
C11C12C13O473.0°62.4°
C11C12C13C14162.3°175.7°
C12C11C10H13169.1°71.8°
C12C11C10H1272.4°169.2°
C12C11H15H14117.8°119.7°
C11C12H17H16116.7°120.3°
C11C12C13H1844.3°56.5°
C12C13O4C14126.0°121.6°
C12C13O4H18116.5°118.8°
C12C13C14H18117.9°119.1°
C12C13C14O551.8°163.7°
C12C13C14C1570.0°75.4°
C13C12C11H15176.5°29.7°
C13C12C11H1464.9°89.8°
C13C12H17H16116.7°119.4°
C12C13C14H20173.9°45.1°
C12C13O4H19180.0°180.0°
O4C13C14H18118.2°119.5°
O4C13C14O572.0°74.9°
O4C13C14C15166.1°46.0°
O4C13C12H17165.9°177.8°
O4C13C12H1648.1°58.4°
O4C13C14H2050.0°166.6°
C13C14O5C15119.5°122.2°
C13C14O5H20121.1°118.9°
C13C14C15H20116.0°120.6°
C13C14C15O651.5°41.2°
C13C14C15C16129.1°139.7°
C14C13C12H1741.2°55.9°
C14C13C12H1676.6°63.4°
C14C13O4H1954.0°58.5°
C13C14O5H21180.0°180.0°
O5C14C15H20120.4°118.5°
O5C14C15O6175.1°79.7°
O5C14C15C165.5°99.5°
O5C14C13H18169.7°44.6°
C14C15O6C16179.3°179.1°
C14C15C16C17157.2°140.9°
C15C14C13H1847.9°165.5°
C14C15C16H16135.8°99.4°
C14C15C16H2281.4°20.5°
C15C14O5H2160.5°57.8°
O6C15C16C1723.5°40.0°
O6C15C14H2064.5°161.8°
O6C15C16H161144.9°79.8°
O6C15C16H2298.0°160.4°
C15C16C17H161121.4°119.8°
C15C16C17H22121.4°120.3°
C15C16C17C1885.9°50.5°
C16C15C14H20114.9°19.1°
C15C16H161H22115.4°119.9°
C15C16C17H171152.9°69.5°
C15C16C17H2335.2°170.4°
C16C17C18H171121.1°119.8°
C16C17C18H23121.1°119.9°
C16C17C18C19137.6°178.6°
C17C16H161H22115.4°120.0°
C16C17H171H23116.4°120.0°
C16C17C18H2416.5°57.9°
C16C17C18H25101.4°61.2°
C17C18C19H24121.0°120.5°
C17C18C19H25121.0°119.7°
C17C18C19C20173.8°81.5°
C17C18C19O767.5°158.0°
C18C17C16H16135.5°170.3°
C18C17C16H22152.6°69.8°
C18C17H171H23116.5°120.3°
C17C18H24H25116.7°118.5°
C17C18C19H2650.8°38.2°
C18C19C20O7115.8°120.7°
C18C19C20H26123.0°119.9°
C18C19O7H26117.8°119.9°
C18C19O7C21166.5°38.2°
C19C18C17H171101.3°61.6°
C19C18C17H2316.5°58.7°
C19C18H24H25116.7°120.0°
C18C19C20H29180.0°60.0°
C18C19C20H2860.0°180.0°
C18C19C20H2760.0°60.0°
C20C19O7H26120.9°119.4°
C20C19O7C2172.1°82.5°
C20C19C18H2465.2°158.1°
C20C19C18H2552.7°38.2°
C19C20H29H28120.0°120.0°
C19C20H29H27120.0°120.1°
C19C20H28H27120.0°120.0°
C19O7C21O89.4°4.5°
O7C19C18H2453.5°37.5°
O7C19C18H25171.5°82.3°
O7C19C20H2964.2°179.3°
O7C19C20H2855.8°59.3°
O7C19C20H27175.8°60.6°
C21O7C19H2648.7°158.1°
H2C1H3H1120.0°120.0°
H2C1C2H559.8°60.0°
H2C1C2H459.8°180.0°
H3C1C2H560.2°180.0°
H3C1C2H4179.8°60.0°
H1C1C2H5179.8°60.0°
H1C1C2H460.2°60.0°
H10C9C10H13170.8°72.6°
H10C9C10H1252.4°168.0°
H11C9C10H1371.1°168.5°
H11C9C10H12170.5°49.1°
H13C10C11H1548.4°48.9°
H13C10C11H1470.2°168.0°
H12C10C11H15166.9°70.2°
H12C10C11H1448.3°49.0°
H15C11C12H1755.4°149.4°
H15C11C12H1662.4°90.8°
H14C11C12H17174.0°29.9°
H14C11C12H1656.2°149.7°
H17C12C13H1876.8°63.4°
H16C12C13H18165.4°177.3°
H18C13C14H2068.2°74.0°
H18C13O4H1963.5°61.1°
H20C14O5H2158.9°61.1°
H161C16C17H17185.7°50.2°
H161C16C17H23156.6°69.8°
H22C16C17H17131.5°170.1°
H22C16C17H2386.2°50.1°
H171C17C18H24137.7°177.7°
H171C17C18H2519.8°58.7°
H23C17C18H24104.6°62.0°
H23C17C18H25137.5°179.0°
H24C18C19H26171.8°82.2°
H25C18C19H2670.3°157.9°
H26C19C20H2957.0°59.9°
H26C19C20H28177.0°60.1°
H26C19C20H2763.0°179.9°
H29C20H28H27120.0°120.0°

251801

PDB entries from 2026-04-08

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