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A1CQP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.50Å
N1C2doub1.30Å1.33ÅAromatic
N1N2sing1.40Å1.41ÅAromatic
C2C22sing1.46Å1.45ÅAromatic
N2C3sing1.47Å1.46Å
N2C10sing1.37Å1.34ÅAromatic
C3C4sing1.53Å1.52Å
C22C10doub1.41Å1.42ÅAromatic
C22C21sing1.40Å1.43ÅAromatic
C5C4sing1.53Å1.54Å
C5C6sing1.53Å1.51Å
C10N3sing1.33Å1.35ÅAromatic
C4C9sing1.53Å1.51Å
C21C12doub1.40Å1.44ÅAromatic
C6C7sing1.53Å1.51Å
N3C11doub1.31Å1.31ÅAromatic
C12C11sing1.40Å1.44ÅAromatic
C12C13sing1.48Å1.51Å
C9C8sing1.53Å1.54Å
C7C8sing1.53Å1.51Å
O1C13doub1.22Å1.22Å
C13N4sing1.35Å1.34Å
N4C14sing1.46Å1.46Å
C15C14sing1.53Å1.54Å
C15C16sing1.51Å1.49Å
C16O2doub1.21Å1.24Å
C16N5sing1.35Å1.31Å
C19C20sing1.55Å1.43Å
C19C18sing1.55Å1.50Å
C20N5sing1.47Å1.44Å
N5C17sing1.47Å1.44Å
C17C18sing1.54Å1.51Å
C11H17sing1.08Å1.08Å
C14H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C8H14sing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C9H16sing1.09Å1.10Å
C9H15sing1.09Å1.10Å
N4H18sing0.97Å1.00Å
C15H21sing1.09Å1.10Å
C15H22sing1.09Å1.10Å
C17H23sing1.09Å1.10Å
C17H24sing1.09Å1.10Å
C18H26sing1.09Å1.10Å
C18H25sing1.09Å1.10Å
C19H28sing1.09Å1.10Å
C19H27sing1.09Å1.10Å
C20H29sing1.09Å1.10Å
C20H30sing1.09Å1.10Å
C21CL1sing1.74Å1.78Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2N1118.2°126.2°
C1C2C22131.4°126.2°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C2C1H1109.4°109.5°
C2N1N2105.6°110.1°
N1C2C22110.4°107.6°
N1N2C3122.8°125.3°
N1N2C10111.9°109.3°
C2C22C10104.6°106.5°
C2C22C21141.4°134.1°
C3N2C10125.1°125.4°
N2C3C4123.2°109.5°
N2C3H4105.9°109.4°
N2C3H5106.0°109.5°
N2C10C22107.2°106.6°
N2C10N3124.0°133.2°
C3C4C5113.7°109.5°
C3C4C9115.8°109.5°
C4C3H4106.0°109.5°
C4C3H5105.9°109.5°
C3C4H6106.6°109.5°
C10C22C21113.9°119.4°
C22C10N3128.8°120.2°
C22C21C12118.6°117.9°
C22C21CL1125.6°121.1°
C4C5C6110.7°109.5°
C5C4C9106.9°109.5°
C5C4H6106.4°109.5°
C4C5H7109.2°109.5°
C4C5H8109.2°109.4°
C5C6C7108.7°109.5°
C6C5H7109.2°109.5°
C6C5H8109.2°109.5°
C5C6H9109.7°109.5°
C5C6H10109.6°109.5°
C10N3C11115.9°121.9°
C4C9C8108.3°109.5°
C9C4H6106.7°109.4°
C4C9H16109.8°109.4°
C4C9H15109.8°109.5°
C21C12C11118.5°119.1°
C21C12C13126.4°120.4°
C12C21CL1115.8°121.0°
C6C7C8109.2°109.5°
C7C6H9109.6°109.4°
C7C6H10109.7°109.5°
C6C7H11109.6°109.5°
C6C7H12109.5°109.4°
N3C11C12123.6°121.4°
N3C11H17118.2°119.3°
C11C12C13113.4°120.4°
C12C11H17118.2°119.3°
C12C13O1124.0°120.0°
C12C13N4114.8°120.0°
C9C8C7111.3°109.5°
C9C8H14109.0°109.5°
C9C8H13109.0°109.5°
C8C9H16109.8°109.4°
C8C9H15109.8°109.5°
C8C7H11109.5°109.5°
C8C7H12109.6°109.5°
C7C8H14109.0°109.4°
C7C8H13109.0°109.5°
O1C13N4121.1°120.0°
C13N4C14125.3°120.0°
C13N4H18117.4°120.0°
N4C14C15118.6°109.5°
N4C14H19107.1°109.5°
N4C14H20107.1°109.4°
C14N4H18117.4°120.0°
C14C15C16108.9°109.5°
C15C14H19107.1°109.5°
C15C14H20107.1°109.5°
C14C15H21109.6°109.5°
C14C15H22109.6°109.5°
C15C16O2123.1°120.0°
C15C16N5118.1°120.0°
C16C15H21109.6°109.4°
C16C15H22109.6°109.5°
O2C16N5118.3°120.0°
C16N5C20126.4°125.6°
C16N5C17123.8°125.6°
C20C19C1897.7°101.5°
C19C20N5105.0°104.7°
C20C19H28112.3°111.0°
C20C19H27112.4°111.0°
C19C20H29110.6°110.4°
C19C20H30110.6°110.4°
C19C18C17103.6°102.9°
C19C18H26110.9°110.7°
C19C18H25111.0°110.8°
C18C19H28112.3°111.3°
C18C19H27112.3°110.8°
C20N5C17109.7°108.7°
N5C20H29110.6°110.6°
N5C20H30110.6°110.2°
N5C17C1899.9°107.3°
N5C17H23111.8°109.9°
N5C17H24111.8°109.9°
C18C17H23111.8°109.8°
C18C17H24111.8°109.9°
C17C18H26110.9°110.8°
C17C18H25110.9°110.7°
H19C14H20109.5°109.5°
H2C1H3109.4°109.4°
H2C1H1109.4°109.5°
H3C1H1109.5°109.5°
H4C3H5109.5°109.5°
H7C5H8109.5°109.5°
H9C6H10109.5°109.5°
H11C7H12109.5°109.4°
H14C8H13109.5°109.5°
H16C9H15109.5°109.5°
H21C15H22109.5°109.5°
H23C17H24109.5°110.0°
H26C18H25109.5°110.6°
H28C19H27109.5°110.9°
H29C20H30109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2N1C22179.6°179.9°
C1C2N1N2175.0°179.9°
C1C2C22C10177.1°180.0°
C1C2C22C211.5°0.1°
C2C1H2H3120.0°120.0°
C2C1H2H1120.0°120.1°
C2C1H3H1120.0°120.0°
C2N1N2C3179.6°179.8°
C2N1N2C105.8°0.2°
N1C2C22C103.3°0.1°
N1C2C22C21178.1°180.0°
N1C2C1H20.0°89.9°
N1C2C1H3120.0°30.1°
N1C2C1H1120.0°150.1°
N2N1C2C225.4°0.1°
N1N2C3C10173.9°180.0°
N1N2C3C4102.3°90.0°
N1N2C10C223.8°0.3°
N1N2C10N3178.4°179.9°
N1N2C3H4135.8°150.0°
N1N2C3H519.6°30.0°
C2C22C10N20.4°0.2°
C2C22C10C21179.1°179.9°
C2C22C10N3178.1°179.9°
C2C22C21C12177.1°179.6°
C22C2C1H2179.6°90.1°
C22C2C1H359.6°150.0°
C22C2C1H160.5°30.0°
C2C22C21CL10.2°0.2°
N2C3C4H4121.9°119.9°
N2C3C4H5121.9°120.0°
C3N2C10C22178.2°179.7°
N2C3C4C5112.1°65.0°
C3N2C10N34.0°0.1°
N2C3C4C912.3°175.0°
N2C3H4H5113.8°120.0°
N2C3C4H6130.9°55.0°
C10N2C3C483.9°90.0°
N2C10C22N3177.7°179.7°
N2C10C22C21178.7°179.9°
N2C10N3C11178.8°179.9°
C10N2C3H438.0°30.0°
C10N2C3H5154.3°150.0°
C3C4C5C9129.1°120.0°
C3C4C5H6117.1°120.0°
C3C4C5C6159.0°180.0°
C3C4C9H6118.5°120.0°
C3C4C9C8174.7°180.0°
C4C3H4H5113.8°120.1°
C3C4C5H738.8°60.0°
C3C4C5H880.8°60.0°
C3C4C9H1654.9°60.0°
C3C4C9H1565.5°59.9°
C10C22C21C124.4°0.3°
C22C10N3C111.5°0.4°
C10C22C21CL1178.3°179.7°
C21C22C10N31.0°0.2°
C22C21C12CL1177.6°179.4°
C22C21C12C119.0°0.6°
C22C21C12C13173.0°179.8°
C4C5C6H7120.2°120.0°
C4C5C6H8120.2°120.0°
C5C4C9H6113.6°120.0°
C4C5C6C722.5°60.0°
C5C4C9C846.8°60.0°
C5C4C3H4126.0°55.0°
C5C4C3H59.8°175.1°
C4C5H7H8119.5°120.0°
C4C5C6H997.4°60.0°
C4C5C6H10142.4°180.0°
C5C4C9H1673.0°60.0°
C5C4C9H15166.6°180.0°
C6C5C4C971.9°60.0°
C5C6C7H9119.9°120.0°
C5C6C7H10119.9°120.1°
C5C6C7C843.6°60.0°
C6C5C4H641.9°60.0°
C6C5H7H8119.5°120.0°
C5C6H9H10120.3°120.1°
C5C6C7H1176.3°180.0°
C5C6C7H12163.6°60.0°
C10N3C11C123.6°0.0°
C10N3C11H17176.4°179.9°
C4C9C8H16119.8°119.9°
C4C9C8H15119.8°120.0°
C4C9C8C718.1°59.9°
C9C4C3H4109.6°65.1°
C9C4C3H5134.2°55.0°
C9C4C5H7167.9°180.0°
C9C4C5H848.3°60.0°
C4C9C8H14102.2°60.0°
C4C9C8H13138.4°180.0°
C4C9H16H15120.6°120.0°
C21C12C11N38.9°0.5°
C21C12C11C13166.0°179.6°
C21C12C13O179.9°0.4°
C21C12C13N4103.4°179.5°
C21C12C11H17171.1°179.6°
C6C7C8C968.1°59.9°
C6C7C8H11119.9°120.1°
C6C7C8H12119.9°120.0°
C7C6C5H7142.7°180.0°
C7C6C5H897.7°60.0°
C7C6H9H10120.4°119.9°
C6C7H11H12120.1°120.0°
C6C7C8H1452.1°60.1°
C6C7C8H13171.6°180.0°
N3C11C12H17180.0°179.9°
N3C11C12C13174.9°180.0°
C11C12C13O1115.3°180.0°
C11C12C13N461.3°0.1°
C11C12C21CL1173.5°180.0°
C12C13O1N4176.5°179.9°
C12C13N4C14177.8°179.9°
C13C12C11H175.1°0.0°
C12C13N4H182.2°0.1°
C13C12C21CL19.5°0.4°
C9C8C7H14120.3°120.0°
C9C8C7H13120.3°120.0°
C8C9C4H666.8°60.0°
C9C8C7H1151.8°180.0°
C9C8C7H12171.9°60.0°
C9C8H14H13119.2°120.0°
C8C9H16H15120.6°120.0°
C8C7C6H9163.5°60.1°
C8C7C6H1076.3°180.0°
C8C7H11H12120.2°120.0°
C7C8H14H13119.2°120.0°
C7C8C9H16137.9°60.0°
C7C8C9H15101.7°180.0°
O1C13N4C145.4°0.0°
O1C13N4H18174.6°180.0°
C13N4C14H18180.0°179.9°
C13N4C14C1566.0°180.0°
C13N4C14H1955.3°60.0°
C13N4C14H20172.7°60.0°
N4C14C15H19121.3°120.0°
N4C14C15H20121.3°119.9°
N4C14C15C1695.4°180.0°
N4C14H19H20115.8°119.9°
N4C14C15H2124.5°60.0°
N4C14C15H22144.7°60.0°
C14C15C16H21119.9°120.0°
C14C15C16H22119.9°120.0°
C14C15C16O218.7°0.1°
C14C15C16N5169.8°180.0°
C15C14H19H20115.9°120.0°
C15C14N4H18114.0°0.0°
C14C15H21H22120.2°120.0°
C15C16O2N5171.4°179.9°
C15C16N5C2016.5°0.4°
C15C16N5C17164.6°180.0°
C16C15C14H19143.3°60.0°
C16C15C14H2025.9°60.0°
C16C15H21H22120.3°120.0°
O2C16N5C20171.6°179.7°
O2C16N5C177.3°0.1°
O2C16C15H21101.2°120.1°
O2C16C15H22138.6°119.9°
C16N5C20C19157.8°155.9°
C16N5C20C17179.1°179.7°
C16N5C17C18171.4°179.0°
N5C16C15H2170.3°60.0°
N5C16C15H2249.9°60.0°
C16N5C17H2353.0°59.6°
C16N5C17H2470.2°61.6°
C16N5C20H2982.9°85.2°
C16N5C20H3038.5°37.2°
C20C19C18H28118.0°118.2°
C20C19C18H27118.0°117.9°
C19C20N5H29119.3°118.9°
C19C20N5H30119.3°118.7°
C19C20N5C1723.1°24.5°
C20C19C18C1748.4°35.7°
C20C19C18H26167.4°154.1°
C20C19C18H2570.7°82.8°
C20C19H28H27125.5°123.9°
C19C20H29H30122.1°122.3°
C18C19C20N542.9°37.3°
C19C18C17N534.5°22.2°
C19C18C17H26119.0°118.4°
C19C18C17H25119.1°118.5°
C19C18C17H23153.0°97.3°
C19C18C17H2483.9°141.6°
C19C18H26H25122.8°123.3°
C18C19H28H27125.5°123.8°
C18C19C20H2976.3°81.8°
C18C19C20H30162.2°155.8°
C20N5C17C187.7°1.3°
C20N5C17H23126.2°120.7°
C20N5C17H24110.7°118.1°
N5C20C19H2875.1°81.0°
N5C20C19H27161.0°155.1°
N5C20H29H30122.1°122.3°
N5C17C18H23118.4°119.4°
N5C17C18H24118.4°119.4°
N5C17H23H24124.5°121.2°
N5C17C18H26153.6°140.5°
N5C17C18H2584.5°96.3°
C17N5C20H2996.1°94.4°
C17N5C20H30142.4°143.1°
C18C17H23H24124.5°121.0°
C17C18H26H25122.7°123.2°
C17C18C19H2869.7°82.5°
C17C18C19H27166.4°153.6°
H19C14N4H18124.7°120.0°
H19C14C15H2196.7°180.0°
H19C14C15H2223.4°60.0°
H20C14N4H187.3°120.0°
H20C14C15H21145.9°60.0°
H20C14C15H2294.0°180.0°
H2C1H3H1120.0°120.0°
H4C3C4H69.0°175.0°
H5C3C4H6107.2°64.9°
H6C4C5H778.3°60.0°
H6C4C5H8162.1°180.0°
H6C4C9H16173.4°180.0°
H6C4C9H1553.0°60.0°
H7C5C6H922.8°60.0°
H7C5C6H1097.4°60.0°
H8C5C6H9142.5°179.9°
H8C5C6H1022.2°60.0°
H9C6C7H1143.6°60.0°
H9C6C7H1276.6°180.0°
H10C6C7H11163.8°59.9°
H10C6C7H1243.7°60.0°
H11C7C8H14172.1°60.0°
H11C7C8H1368.5°60.0°
H12C7C8H1467.8°180.0°
H12C7C8H1351.7°60.0°
H14C8C9H1617.6°180.0°
H14C8C9H15138.0°60.0°
H13C8C9H16101.8°60.0°
H13C8C9H1518.6°60.0°
H23C17C18H2688.0°21.1°
H23C17C18H2533.9°144.2°
H24C17C18H2635.2°100.0°
H24C17C18H25157.0°23.1°
H26C18C19H2849.4°35.9°
H26C18C19H2774.6°88.0°
H25C18C19H28171.3°159.0°
H25C18C19H2747.4°35.2°
H28C19C20H29165.6°159.9°
H28C19C20H3044.2°37.5°
H27C19C20H2941.7°36.0°
H27C19C20H3079.7°86.4°

248335

PDB entries from 2026-01-28

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