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PRD_900125

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.54Å
C1O1sing1.43Å1.42Å
C1O6sing1.43Å1.41Å
C1H1sing1.09Å1.10Å
C2C3sing1.53Å1.56Å
C2N1sing1.47Å1.47Å
C2H2sing1.09Å1.10Å
C3C4sing1.53Å1.53Å
C3O2sing1.43Å1.42Å
C3H3sing1.09Å1.10Å
C4C5sing1.53Å1.55Å
C4O3sing1.43Å1.43Å
C4H4sing1.09Å1.10Å
C5C6sing1.53Å1.53Å
C5O1sing1.43Å1.43Å
C5H5sing1.09Å1.10Å
C6O4sing1.43Å1.42Å
C6H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C7C8sing1.51Å1.50Å
C7O5doub1.21Å1.23Å
C7N1sing1.35Å1.35Å
C8H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
C8H10sing1.09Å1.10Å
O2H11sing0.97Å0.95Å
O4H12sing0.97Å0.95Å
N1H13sing0.97Å1.00Å
O6H14sing0.97Å0.95Å
C9C10sing1.53Å1.54Å
C9O10sing1.43Å1.42Å
C9H15sing1.09Å1.10Å
C10C11sing1.53Å1.53Å
C10O7sing1.43Å1.42Å
C10H16sing1.09Å1.10Å
C11C12sing1.53Å1.52Å
C11O8sing1.43Å1.41Å
C11H17sing1.09Å1.10Å
C12C13sing1.53Å1.53Å
C12O9sing1.43Å1.42Å
C12H18sing1.09Å1.10Å
C13C14sing1.53Å1.51Å
C13O10sing1.43Å1.42Å
C13H19sing1.09Å1.10Å
C14O11sing1.43Å1.40Å
C14H20sing1.09Å1.10Å
C14H21sing1.09Å1.10Å
O8H22sing0.97Å0.95Å
O9H23sing0.97Å0.95Å
O11H24sing0.97Å0.95Å
C15C16sing1.53Å1.52Å
C15O15sing1.43Å1.43Å
C15H25sing1.09Å1.10Å
C16C17sing1.53Å1.54Å
C16O12sing1.43Å1.40Å
C16H26sing1.09Å1.10Å
C17C18sing1.53Å1.53Å
C17O13sing1.43Å1.41Å
C17H27sing1.09Å1.10Å
C18C19sing1.53Å1.56Å
C18O14sing1.43Å1.42Å
C18H28sing1.09Å1.10Å
C19C20sing1.53Å1.54Å
C19O15sing1.43Å1.44Å
C19H29sing1.09Å1.10Å
C20H30sing1.09Å1.10Å
C20H31sing1.09Å1.10Å
C20H32sing1.09Å1.10Å
O12H33sing0.97Å0.95Å
O13H34sing0.97Å0.95Å
O14H35sing0.97Å0.95Å
O3C9sing1.43Å1.44Å
O7C15sing1.43Å1.46Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O1112.2°109.4°
C2C1O6109.5°109.5°
C2C1H1107.9°109.5°
C1C2C3112.9°109.2°
C1C2N1108.2°109.5°
C1C2H2107.2°109.6°
O1C1O6107.8°109.5°
O1C1H1109.6°109.5°
C1O1C5117.1°114.1°
O6C1H1109.7°109.5°
C1O6H14109.5°114.0°
C3C2N1113.2°109.5°
C3C2H2107.0°109.5°
C2C3C4114.0°109.0°
C2C3O2112.6°109.6°
C2C3H3106.7°109.5°
N1C2H2108.1°109.6°
C2N1C7124.1°120.0°
C2N1H13118.0°120.0°
C4C3O2107.9°109.6°
C4C3H3107.0°109.5°
C3C4C5110.9°109.1°
C3C4O3107.8°109.5°
C3C4H4108.1°109.5°
O2C3H3108.4°109.6°
C3O2H11109.5°114.0°
C5C4O3112.6°109.5°
C5C4H4107.9°109.5°
C4C5C6113.1°109.4°
C4C5O1113.4°109.4°
C4C5H5107.2°109.5°
O3C4H4109.4°109.6°
C4O3C9114.3°114.0°
C6C5O1106.8°109.5°
C6C5H5107.4°109.4°
C5C6O4108.1°109.5°
C5C6H6109.8°109.6°
C5C6H7109.8°109.5°
O1C5H5108.7°109.5°
O4C6H6109.8°109.5°
O4C6H7109.8°109.4°
C6O4H12109.5°114.0°
H6C6H7109.5°109.4°
C8C7O5118.9°120.0°
C8C7N1117.8°120.0°
C7C8H8109.5°109.5°
C7C8H9109.5°109.4°
C7C8H10109.5°109.4°
O5C7N1123.3°120.0°
C7N1H13118.0°120.1°
H8C8H9109.5°109.5°
H8C8H10109.5°109.5°
H9C8H10109.5°109.5°
C10C9O10112.9°109.4°
C10C9H15106.5°109.5°
C9C10C11113.3°109.1°
C9C10O7111.4°109.5°
C9C10H16107.1°109.5°
C10C9O3109.1°109.5°
O10C9H15107.8°109.5°
C9O10C13115.3°114.1°
O10C9O3112.7°109.5°
H15C9O3107.6°109.4°
C11C10O7109.0°109.5°
C11C10H16107.2°109.5°
C10C11C12109.1°109.0°
C10C11O8110.1°109.5°
C10C11H17108.6°109.5°
O7C10H16108.6°109.6°
C10O7C15111.9°114.0°
C12C11O8110.0°109.6°
C12C11H17108.7°109.5°
C11C12C13106.3°109.2°
C11C12O9110.4°109.5°
C11C12H18108.0°109.5°
O8C11H17110.3°109.6°
C11O8H22109.5°114.0°
C13C12O9114.6°109.5°
C13C12H18107.9°109.5°
C12C13C14113.4°109.5°
C12C13O10111.8°109.4°
C12C13H19107.0°109.5°
O9C12H18109.3°109.5°
C12O9H23109.5°114.0°
C14C13O10108.7°109.5°
C14C13H19107.3°109.5°
C13C14O11105.9°109.5°
C13C14H20110.3°109.5°
C13C14H21110.4°109.5°
O10C13H19108.5°109.5°
O11C14H20110.4°109.4°
O11C14H21110.3°109.4°
C14O11H24109.5°114.0°
H20C14H21109.5°109.5°
C16C15O15109.5°109.4°
C16C15H25107.6°109.5°
C15C16C17107.2°109.2°
C15C16O12107.2°109.5°
C15C16H26109.5°109.5°
C16C15O7105.5°109.5°
O15C15H25108.7°109.4°
C15O15C19114.2°114.1°
O15C15O7116.8°109.5°
H25C15O7108.3°109.5°
C17C16O12112.7°109.6°
C17C16H26109.1°109.5°
C16C17C18107.3°109.1°
C16C17O13114.8°109.5°
C16C17H27107.7°109.6°
O12C16H26111.1°109.5°
C16O12H33109.5°114.0°
C18C17O13109.6°109.6°
C18C17H27107.9°109.6°
C17C18C19108.5°109.2°
C17C18O14107.3°109.5°
C17C18H28108.7°109.6°
O13C17H27109.4°109.6°
C17O13H34109.5°114.0°
C19C18O14113.8°109.5°
C19C18H28108.3°109.5°
C18C19C20113.9°109.5°
C18C19O15111.2°109.4°
C18C19H29105.1°109.5°
O14C18H28110.1°109.5°
C18O14H35109.5°114.0°
C20C19O15114.2°109.5°
C20C19H29105.3°109.5°
C19C20H30109.5°109.5°
C19C20H31109.5°109.4°
C19C20H32109.5°109.5°
O15C19H29106.3°109.4°
H30C20H31109.5°109.5°
H30C20H32109.5°109.5°
H31C20H32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O1O6120.7°120.0°
C2C1O1H1119.9°119.9°
C2C1O6H1118.3°120.0°
C1C2C3N1123.4°119.9°
C1C2C3H2117.7°119.9°
C1C2N1H2115.8°120.2°
C1C2C3C443.3°57.0°
C1C2C3O2166.5°176.9°
C1C2C3H374.6°62.9°
C2C1O1C554.1°61.2°
C1C2N1C794.3°85.0°
C1C2N1H1385.7°95.0°
C2C1O6H14180.0°180.0°
O1C1O6H1119.3°120.0°
O1C1C2C346.3°57.6°
O1C1C2N1172.4°177.5°
O1C1C2H271.3°62.3°
C1O1C5C455.9°61.2°
C1O1C5C6178.9°178.9°
C1O1C5H563.3°58.8°
O1C1O6H1457.6°60.0°
O6C1C2C373.4°62.4°
O6C1C2N152.7°57.5°
O6C1C2H2169.0°177.7°
O6C1O1C566.6°58.8°
H1C1C2C3167.2°177.6°
H1C1C2N166.7°62.5°
H1C1C2H249.6°57.7°
H1C1O1C5174.0°178.9°
H1C1O6H1461.7°60.0°
C3C2N1H2118.3°120.1°
C2C3C4O2125.8°119.9°
C2C3C4H3117.7°119.8°
C2C3O2H3117.8°120.2°
C2C3C4C543.4°56.9°
C2C3C4O3167.1°176.9°
C2C3C4H474.7°62.9°
C3C2N1C7139.7°155.3°
C2C3O2H11180.0°60.0°
C3C2N1H1340.3°24.7°
N1C2C3C4166.6°176.9°
N1C2C3O270.1°63.2°
N1C2C3H348.7°57.0°
C2N1C7C8168.4°180.0°
C2N1C7O511.3°0.1°
C2N1C7H13180.0°179.9°
H2C2C3C474.4°63.0°
H2C2C3O248.8°56.9°
H2C2C3H3167.7°177.2°
H2C2N1C721.4°35.2°
H2C2N1H13158.6°144.8°
C4C3O2H3115.6°120.2°
C3C4C5O3120.9°119.9°
C3C4C5H4118.2°119.9°
C3C4O3H4117.4°120.2°
C3C4C5C6170.2°177.6°
C3C4C5O148.4°57.6°
C3C4C5H571.6°62.5°
C4C3O2H1153.4°179.6°
C3C4O3C9137.9°134.0°
O2C3C4C5169.2°176.8°
O2C3C4O367.1°63.3°
O2C3C4H451.1°57.0°
H3C3C4C574.3°62.9°
H3C3C4O349.4°57.0°
H3C3C4H4167.6°177.2°
H3C3O2H1162.2°60.2°
C5C4O3H4120.0°120.2°
C4C5C6O1125.5°120.0°
C4C5C6H5118.1°120.0°
C4C5O1H5119.1°120.0°
C4C5C6O4123.9°174.5°
C4C5C6H64.1°54.5°
C4C5C6H7116.3°65.5°
C5C4O3C999.4°106.4°
O3C4C5C668.9°62.5°
O3C4C5O1169.3°177.5°
O3C4C5H549.3°57.5°
C4O3C9C10173.2°175.0°
C4O3C9O1060.7°65.0°
C4O3C9H1558.1°55.0°
H4C4C5C652.0°57.7°
H4C4C5O169.8°62.3°
H4C4C5H5170.2°177.7°
H4C4O3C920.6°13.8°
C6C5O1H5115.6°120.0°
C5C6O4H6119.8°120.1°
C5C6O4H7119.8°120.0°
C5C6H6H7120.6°120.0°
C5C6O4H12180.0°180.0°
O1C5C6O4110.7°65.5°
O1C5C6H6129.6°174.4°
O1C5C6H79.1°54.4°
H5C5C6O45.8°54.6°
H5C5C6H6114.0°65.5°
H5C5C6H7125.6°174.5°
O4C6H6H7120.6°119.9°
H6C6O4H1260.2°59.9°
H7C6O4H1260.2°60.0°
C8C7O5N1179.7°179.9°
C7C8H8H9120.0°120.0°
C7C8H8H10120.0°120.0°
C7C8H9H10120.0°119.9°
C8C7N1H1311.6°0.1°
O5C7C8H80.0°0.0°
O5C7C8H9120.0°120.0°
O5C7C8H10120.0°120.0°
O5C7N1H13168.7°180.0°
N1C7C8H8179.7°180.0°
N1C7C8H960.3°60.0°
N1C7C8H1059.7°60.0°
H8C8H9H10120.0°120.0°
C10C9O10H15117.3°120.0°
C10C9O10O3124.1°120.0°
C10C9H15O3116.9°120.0°
C9C10C11O7124.7°119.9°
C9C10C11H16117.9°119.9°
C9C10O7H16117.7°120.2°
C9C10C11C1251.7°56.9°
C9C10C11O8172.5°176.9°
C9C10C11H1766.6°62.9°
C10C9O10C1347.2°61.2°
C9C10O7C15119.5°147.9°
O10C9H15O3121.8°120.0°
O10C9C10C1144.0°57.6°
O10C9C10O7167.4°177.5°
O10C9C10H1674.0°62.3°
C9O10C13C1258.4°61.1°
C9O10C13C14175.7°178.9°
C9O10C13H1959.4°58.8°
H15C9C10C1174.0°62.4°
H15C9C10O749.3°57.5°
H15C9C10H16167.9°177.7°
H15C9O10C1370.1°58.9°
C11C10O7H16116.5°120.1°
C10C11C12O8120.9°119.9°
C10C11C12H17118.3°119.8°
C10C11O8H17119.8°120.2°
C10C11C12C1359.1°57.0°
C10C11C12O965.8°63.0°
C10C11C12H18174.7°176.9°
C10C11O8H22180.0°180.0°
C11C10C9O3170.1°177.6°
C11C10O7C15114.7°92.5°
O7C10C11C12176.4°176.8°
O7C10C11O862.8°63.2°
O7C10C11H1758.0°57.0°
C10O7C15C16153.9°174.5°
C10O7C15O1584.2°65.6°
C10O7C15H2538.9°54.4°
O7C10C9O366.5°62.5°
H16C10C11C1266.2°62.9°
H16C10C11O854.6°57.0°
H16C10C11H17175.4°177.2°
H16C10C9O352.1°57.7°
H16C10O7C151.8°27.7°
C12C11O8H17119.9°120.2°
C11C12C13O9122.2°119.9°
C11C12C13H18115.7°119.9°
C11C12O9H18118.7°120.1°
C11C12C13C14173.4°177.6°
C11C12C13O1063.3°57.6°
C11C12C13H1955.3°62.4°
C12C11O8H2259.7°60.4°
C11C12O9H23180.0°180.0°
O8C11C12C13180.0°176.9°
O8C11C12O955.1°56.9°
O8C11C12H1864.3°63.2°
H17C11C12C1359.1°62.8°
H17C11C12O9176.0°177.2°
H17C11C12H1856.5°57.1°
H17C11O8H2260.2°59.9°
C13C12O9H18121.3°120.1°
C12C13C14O10125.0°119.9°
C12C13C14H19117.9°120.0°
C12C13O10H19117.8°120.0°
C12C13C14O11176.0°175.0°
C12C13C14H2064.6°55.1°
C12C13C14H2156.6°65.0°
C13C12O9H2360.0°60.3°
O9C12C13C1464.4°57.7°
O9C12C13O1058.9°62.3°
O9C12C13H19177.6°177.7°
H18C12C13C1457.7°62.5°
H18C12C13O10179.0°177.5°
H18C12C13H1960.4°57.6°
H18C12O9H2361.3°59.9°
C14C13O10H19116.3°120.0°
C13C14O11H20119.4°120.0°
C13C14O11H21119.4°120.0°
C13C14H20H21121.7°120.1°
C13C14O11H24180.0°180.0°
O10C13C14O1151.0°65.1°
O10C13C14H20170.4°175.0°
O10C13C14H2168.4°54.9°
C13O10C9O3171.3°178.9°
H19C13C14O1166.1°55.0°
H19C13C14H2053.3°65.0°
H19C13C14H21174.5°175.0°
O11C14H20H21121.7°119.9°
H20C14O11H2460.6°60.0°
H21C14O11H2460.6°60.0°
C16C15O15H25117.3°120.0°
C16C15O15O7119.8°120.0°
C16C15H25O7113.6°120.1°
C15C16C17O12117.7°119.9°
C15C16C17H26118.4°119.9°
C15C16O12H26119.5°120.1°
C15C16C17C1863.9°57.0°
C15C16C17O13174.1°176.9°
C15C16C17H2752.0°62.9°
C16C15O15C1960.1°61.1°
C15C16O12H33180.0°60.0°
O15C15H25O7127.9°120.0°
O15C15C16C1763.1°57.6°
O15C15C16O12175.6°177.5°
O15C15C16H2655.0°62.3°
C15O15C19C1855.3°61.1°
C15O15C19C20174.1°178.9°
C15O15C19H2958.5°58.8°
H25C15C16C17178.8°177.6°
H25C15C16O1257.5°62.5°
H25C15C16H2663.0°57.6°
H25C15O15C19177.4°178.9°
C17C16O12H26122.7°120.2°
C16C17C18O13125.2°119.9°
C16C17C18H27115.8°119.9°
C16C17O13H27121.1°120.2°
C16C17C18C1959.2°57.0°
C16C17C18O1464.2°62.9°
C16C17C18H28176.7°176.9°
C17C16O12H3362.3°179.7°
C16C17O13H34180.0°59.9°
C17C16C15O763.3°62.4°
O12C16C17C18178.3°176.9°
O12C16C17O1356.3°63.2°
O12C16C17H2765.7°57.0°
O12C16C15O757.9°57.6°
H26C16C17C1854.5°62.9°
H26C16C17O1367.5°57.0°
H26C16C17H27170.4°177.2°
H26C16O12H3360.5°60.1°
H26C16C15O7178.5°177.7°
C18C17O13H27118.1°120.2°
C17C18C19O14119.4°119.9°
C17C18C19H28117.8°120.0°
C17C18O14H28118.1°120.2°
C17C18C19C20175.0°177.6°
C17C18C19O1554.4°57.6°
C17C18C19H2960.2°62.4°
C18C17O13H3459.2°179.5°
C17C18O14H35180.0°179.9°
O13C17C18C19175.7°176.9°
O13C17C18O1461.0°56.9°
O13C17C18H2858.1°63.2°
H27C17C18C1956.6°62.9°
H27C17C18O14180.0°177.1°
H27C17C18H2861.0°57.0°
H27C17O13H3458.9°60.3°
C19C18O14H28121.8°120.1°
C18C19C20O15129.2°120.0°
C18C19C20H29114.6°120.0°
C18C19O15H29113.9°119.9°
C18C19C20H30180.0°59.2°
C18C19C20H3160.0°179.2°
C18C19C20H3260.0°60.8°
C19C18O14H3559.9°60.2°
O14C18C19C2065.7°57.7°
O14C18C19O1565.0°62.3°
O14C18C19H29179.6°177.7°
H28C18C19C2057.1°62.5°
H28C18C19O15172.2°177.5°
H28C18C19H2957.6°57.6°
H28C18O14H3561.9°59.9°
C20C19O15H29115.6°120.0°
C19C20H30H31120.0°120.0°
C19C20H30H32120.0°120.0°
C19C20H31H32120.0°120.0°
O15C19C20H3050.8°179.1°
O15C19C20H3169.2°60.9°
O15C19C20H32170.8°59.1°
C19O15C15O759.7°58.9°
H29C19C20H3065.4°60.9°
H29C19C20H31174.6°59.1°
H29C19C20H3254.6°179.1°
H30C20H31H32120.0°120.0°

227111

PDB entries from 2024-11-06

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