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QXT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5sing1.53Å1.52Å
C4C3sing1.53Å1.54Å
O22C8doub1.21Å1.22Å
C3C8sing1.51Å1.51Å
C3C2sing1.53Å1.54Å
C3C6sing1.51Å1.51Å
C8N7sing1.36Å1.33Å
C2C1sing1.53Å1.53Å
N7C6sing1.36Å1.34Å
N7C7sing1.40Å1.42Å
C6O21doub1.21Å1.22Å
C13C7doub1.39Å1.40ÅAromatic
C13C12sing1.38Å1.39ÅAromatic
C7C9sing1.39Å1.41ÅAromatic
C12C11doub1.38Å1.38ÅAromatic
C9C10doub1.38Å1.41ÅAromatic
C11C10sing1.38Å1.40ÅAromatic
C10C14sing1.51Å1.52Å
C17C16sing1.53Å1.52Å
C17C18sing1.51Å1.51Å
C16N15sing1.47Å1.47Å
C14N15sing1.47Å1.48Å
N15C20sing1.47Å1.48Å
C18C23doub1.39Å1.40ÅAromatic
C18C19sing1.38Å1.51ÅAromatic
C23C22sing1.38Å1.39ÅAromatic
C20C19sing1.51Å1.52Å
C19C15doub1.39Å1.40ÅAromatic
C22O25sing1.36Å1.37Å
C22C21doub1.39Å1.46ÅAromatic
O25C26sing1.44Å1.45Å
C15C21sing1.38Å1.40ÅAromatic
C21O24sing1.37Å1.37Å
C26O24sing1.44Å1.44Å
C2H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C9H8sing1.08Å1.08Å
C11H9sing1.08Å1.08Å
C12H10sing1.08Å1.08Å
C13H11sing1.08Å1.08Å
C14H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C17H21sing1.09Å1.10Å
C20H22sing1.09Å1.10Å
C20H23sing1.09Å1.10Å
C15H24sing1.08Å1.08Å
C23H25sing1.08Å1.08Å
C26H26sing1.09Å1.10Å
C26H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4C3114.6°109.5°
C5C4H3108.2°109.4°
C5C4H4108.2°109.5°
C4C5H5109.5°109.5°
C4C5H6109.5°109.5°
C4C5H7109.5°109.5°
C4C3C8115.3°113.6°
C4C3C2116.4°112.9°
C4C3C6111.7°113.7°
C3C4H3108.2°109.5°
C3C4H4108.1°109.5°
O22C8C3132.0°136.7°
O22C8N7134.8°136.8°
C8C3C2115.0°113.7°
C8C3C680.2°86.9°
C3C8N793.2°86.5°
C2C3C6112.9°113.6°
C3C2C1116.8°109.5°
C3C2H1107.6°109.5°
C3C2H2107.6°109.5°
C3C6N792.8°86.5°
C3C6O21131.4°136.8°
C8N7C693.8°100.1°
C8N7C7132.4°129.9°
C1C2H1107.6°109.5°
C1C2H2107.6°109.5°
C2C1H14109.5°109.5°
C2C1H15109.5°109.5°
C2C1H16109.5°109.5°
C6N7C7133.9°130.0°
N7C6O21135.8°136.7°
N7C7C13119.1°120.0°
N7C7C9122.2°120.1°
C7C13C12120.8°119.9°
C13C7C9118.7°119.9°
C7C13H11119.6°120.0°
C13C12C11120.3°120.0°
C13C12H10119.8°120.0°
C12C13H11119.6°120.0°
C7C9C10120.3°119.9°
C7C9H8119.8°120.1°
C12C11C10120.3°120.2°
C12C11H9119.9°119.9°
C11C12H10119.8°120.0°
C9C10C11119.5°120.1°
C9C10C14121.4°120.0°
C10C9H8119.8°120.0°
C11C10C14119.0°120.0°
C10C11H9119.8°119.9°
C10C14N15107.2°109.5°
C10C14H12110.0°109.5°
C10C14H13110.0°109.5°
C16C17C18108.4°109.9°
C17C16N15106.6°108.5°
C17C16H18110.2°109.6°
C17C16H19110.2°109.8°
C16C17H20109.7°109.4°
C16C17H21109.7°109.4°
C17C18C23119.4°118.4°
C17C18C19119.4°121.6°
C18C17H20109.8°109.4°
C18C17H21109.7°109.3°
C16N15C14111.6°111.0°
C16N15C20112.2°110.3°
N15C16H18110.2°109.7°
N15C16H19110.2°109.6°
C14N15C20114.9°111.0°
N15C14H12110.0°109.5°
N15C14H13110.0°109.4°
N15C20C19110.1°110.5°
N15C20H22109.3°109.3°
N15C20H23109.3°109.3°
C23C18C19121.2°119.9°
C18C23C22117.5°120.4°
C18C23H25121.2°119.8°
C18C19C20120.8°121.8°
C18C19C15119.8°119.9°
C23C22O25130.1°131.7°
C23C22C21121.7°119.6°
C22C23H25121.3°119.8°
C20C19C15119.4°118.3°
C19C20H22109.3°109.3°
C19C20H23109.3°109.2°
C19C15C21118.1°120.4°
C19C15H24120.9°119.8°
O25C22C21108.2°108.7°
C22O25C26108.8°105.4°
C22C21C15121.7°119.7°
C22C21O24107.8°108.6°
O25C26O24106.1°103.7°
O25C26H26110.3°110.5°
O25C26H27110.3°110.6°
C15C21O24130.5°131.6°
C21C15H24121.0°119.8°
C21O24C26109.1°105.5°
O24C26H26110.3°110.5°
O24C26H27110.3°110.6°
H1C2H2109.5°109.4°
H3C4H4109.5°109.4°
H5C5H6109.5°109.5°
H5C5H7109.4°109.5°
H6C5H7109.5°109.4°
H12C14H13109.5°109.5°
H14C1H15109.4°109.4°
H14C1H16109.5°109.5°
H15C1H16109.5°109.5°
H18C16H19109.4°109.6°
H20C17H21109.5°109.3°
H22C20H23109.5°109.3°
H26C26H27109.5°110.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4C3H3120.7°120.0°
C5C4C3H4120.8°120.1°
C5C4C3C8165.0°50.3°
C5C4C3C255.8°178.4°
C5C4C3C675.9°47.0°
C5C4H3H4117.7°120.0°
C4C5H5H6120.0°120.0°
C4C5H5H7120.0°120.0°
C4C5H6H7120.0°120.0°
C4C3C8O2271.1°65.5°
C4C3C8C2139.8°131.0°
C4C3C8C6109.4°114.5°
C4C3C2C6131.1°131.4°
C4C3C8N7109.7°114.6°
C4C3C2C1169.3°178.4°
C4C3C6N7113.7°114.5°
C4C3C6O2166.7°65.5°
C4C3C2H148.3°58.4°
C4C3C2H269.6°61.6°
C3C4H3H4117.6°120.0°
C3C4C5H5180.0°60.0°
C3C4C5H660.0°60.0°
C3C4C5H760.0°180.0°
O22C8C3N7179.2°180.0°
O22C8C3C268.7°65.5°
O22C8C3C6179.4°180.0°
O22C8N7C6179.4°180.0°
O22C8N7C71.0°0.0°
C8C3C2C689.6°97.3°
C8C3C2C151.4°50.3°
C8C3C6N70.3°0.0°
C3C8N7C7178.1°180.0°
C8C3C6O21179.8°180.0°
C8C3C2H1172.4°170.3°
C8C3C2H269.7°69.7°
C8C3C4H374.3°69.7°
C8C3C4H444.2°170.3°
C2C3C8N7110.5°114.5°
C3C2C1H1121.0°120.0°
C3C2C1H2121.1°120.0°
C2C3C6N7112.8°114.5°
C2C3C6O2166.7°65.5°
C3C2H1H2116.7°120.0°
C2C3C4H364.9°61.6°
C2C3C4H4176.6°58.3°
C3C2C1H14180.0°180.0°
C3C2C1H1560.0°60.0°
C3C2C1H1660.0°60.0°
C6C3C2C138.2°46.9°
C3C6N7O21179.5°180.0°
C3C6N7C7178.1°180.0°
C6C3C2H182.9°73.1°
C6C3C2H2159.3°167.0°
C6C3C4H3163.4°167.0°
C6C3C4H444.9°73.1°
C8N7C6C7178.4°180.0°
C8N7C6O21179.8°180.0°
C8N7C7C1323.9°180.0°
C8N7C7C9157.1°0.5°
C1C2H1H2116.7°120.0°
C2C1H14H15120.0°120.0°
C2C1H14H16120.0°120.0°
C2C1H15H16120.0°120.1°
C6N7C7C13153.9°0.0°
C6N7C7C925.0°179.5°
C7N7C6O211.4°0.0°
N7C7C13C9179.0°179.5°
N7C7C13C12179.6°180.0°
N7C7C9C10179.4°180.0°
N7C7C9H80.6°0.3°
N7C7C13H110.4°0.5°
C7C13C12H11180.0°179.5°
C7C13C12C110.4°0.3°
C13C7C9C100.5°0.5°
C13C7C9H8179.5°179.8°
C7C13C12H10179.6°179.8°
C12C13C7C90.6°0.5°
C13C12C11H10180.0°180.0°
C13C12C11C100.0°0.0°
C13C12C11H9180.0°180.0°
C7C9C10H8180.0°179.7°
C7C9C10C110.1°0.3°
C7C9C10C14179.6°179.8°
C9C7C13H11179.4°180.0°
C12C11C10C90.2°0.0°
C12C11C10H9180.0°180.0°
C12C11C10C14179.9°180.0°
C11C12C13H11179.6°179.8°
C9C10C11C14179.7°180.0°
C9C10C14N15153.6°90.0°
C9C10C11H9179.8°180.0°
C9C10C14H1234.0°149.9°
C9C10C14H1386.7°30.0°
C11C10C14N1526.1°90.1°
C11C10C9H8179.9°180.0°
C10C11C12H10180.0°180.0°
C11C10C14H12145.7°30.0°
C11C10C14H1393.6°150.0°
C10C14N15C1689.3°170.9°
C10C14N15H12119.7°120.0°
C10C14N15H13119.7°120.0°
C10C14N15C20141.4°66.0°
C14C10C9H80.4°0.1°
C14C10C11H90.1°0.0°
C10C14H12H13121.1°120.0°
C16C17C18H20119.8°120.2°
C16C17C18H21119.8°120.2°
C17C16N15H18119.6°119.7°
C17C16N15H19119.5°119.9°
C17C16N15C14153.2°165.3°
C17C16N15C2076.1°71.3°
C16C17C18C23154.8°162.8°
C16C17C18C1925.0°17.1°
C17C16H18H19121.3°120.6°
C16C17H20H21120.5°119.8°
C18C17C16N1560.1°50.5°
C17C18C23C19179.9°179.9°
C17C18C23C22179.5°179.8°
C17C18C19C200.2°0.7°
C17C18C19C15179.7°179.7°
C18C17C16H1859.5°170.2°
C18C17C16H19179.7°69.3°
C18C17H20H21120.5°119.7°
C17C18C23H250.5°0.0°
C16N15C14C20129.3°123.0°
C16N15C20C1947.7°52.6°
C16N15C14H1230.4°50.9°
C16N15C14H13151.1°69.1°
N15C16H18H19121.3°120.4°
N15C16C17H2059.7°69.7°
N15C16C17H21180.0°170.6°
C16N15C20H2272.4°67.7°
C16N15C20H23167.8°172.8°
C14N15C20C19176.7°176.0°
N15C14H12H13121.0°120.0°
C14N15C16H1887.3°45.6°
C14N15C16H1933.6°74.8°
C14N15C20H2256.6°55.7°
C14N15C20H2363.2°63.8°
N15C20C19C1810.1°17.7°
N15C20C19H22120.1°120.3°
N15C20C19H23120.1°120.2°
N15C20C19C15170.4°162.7°
C20N15C14H1298.9°173.9°
C20N15C14H1321.8°53.9°
C20N15C16H1843.4°169.0°
C20N15C16H19164.3°48.6°
N15C20H22H23119.7°119.5°
C18C23C22H25180.0°179.8°
C23C18C19C20179.7°179.2°
C23C18C19C150.2°0.4°
C18C23C22O25179.8°180.0°
C18C23C22C210.5°0.1°
C23C18C17H2085.3°77.0°
C23C18C17H2135.0°42.6°
C19C18C23C220.4°0.3°
C18C19C20C15179.5°179.6°
C18C19C15C210.0°0.1°
C19C18C17H2094.8°103.0°
C19C18C17H21144.9°137.3°
C18C19C20H22110.0°102.6°
C18C19C20H23130.2°137.9°
C18C19C15H24179.9°179.9°
C19C18C23H25179.6°179.9°
C23C22O25C21179.4°179.9°
C23C22O25C26179.8°162.9°
C23C22C21C150.4°0.4°
C23C22C21O24179.7°179.8°
C20C19C15C21179.6°179.5°
C19C20H22H23119.7°119.5°
C20C19C15H240.4°0.5°
C19C15C21C220.2°0.3°
C19C15C21H24180.0°180.0°
C19C15C21O24180.0°180.0°
C15C19C20H2269.5°77.0°
C15C19C20H2350.3°42.5°
O25C22C21C15179.9°179.7°
O25C22C21O240.3°0.1°
C22O25C26O240.3°27.1°
O25C22C23H250.2°0.2°
C22O25C26H26119.7°145.6°
C22O25C26H27119.2°91.5°
C21C22O25C260.3°17.2°
C22C21C15O24179.8°179.7°
C22C21O24C260.1°17.4°
C22C21C15H24179.8°179.7°
C21C22C23H25179.5°179.7°
O25C26O24C210.1°27.2°
O25C26O24H26119.5°118.5°
O25C26O24H27119.5°118.6°
O25C26H26H27121.6°122.9°
C15C21O24C26179.9°162.3°
O24C21C15H240.0°0.0°
C21O24C26H26119.6°145.7°
C21O24C26H27119.4°91.4°
O24C26H26H27121.5°122.9°
H1C2C1H1459.0°60.0°
H1C2C1H15179.0°180.0°
H1C2C1H1661.1°60.0°
H2C2C1H1458.9°59.9°
H2C2C1H1561.1°60.0°
H2C2C1H16178.9°179.9°
H3C4C5H559.3°180.0°
H3C4C5H660.8°60.0°
H3C4C5H7179.2°60.0°
H4C4C5H559.3°60.0°
H4C4C5H6179.3°179.9°
H4C4C5H760.7°60.0°
H5C5H6H7120.0°120.0°
H9C11C12H100.0°0.0°
H10C12C13H110.4°0.3°
H14C1H15H16120.0°120.0°
H18C16C17H20179.3°50.1°
H18C16C17H2160.4°69.7°
H19C16C17H2059.8°170.5°
H19C16C17H2160.5°50.8°

223532

PDB entries from 2024-08-07

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