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WX9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.53Å
C1C4sing1.54Å1.55Å
C1C2sing1.54Å1.55Å
C4C3sing1.54Å1.55Å
C2C3sing1.54Å1.55Å
C13C12doub1.38Å1.38ÅAromatic
C13C8sing1.38Å1.39ÅAromatic
C12C11sing1.38Å1.39ÅAromatic
C3C8sing1.51Å1.53Å
C3C5sing1.51Å1.53Å
C8C9doub1.38Å1.39ÅAromatic
C11C10doub1.39Å1.39ÅAromatic
C9C10sing1.40Å1.39ÅAromatic
C10C14sing1.48Å1.49Å
C5N2doub1.31Å1.32ÅAromatic
C5Nsing1.36Å1.40ÅAromatic
OC15doub1.22Å1.22Å
C7Nsing1.46Å1.46Å
N2N1sing1.29Å1.39ÅAromatic
NC6sing1.36Å1.34ÅAromatic
C14C15sing1.42Å1.47Å
C14C18doub1.39Å1.36Å
C15N3sing1.35Å1.41Å
C18C17sing1.40Å1.40Å
N1C6doub1.31Å1.30ÅAromatic
N3C20sing1.47Å1.49Å
N3C16sing1.36Å1.37Å
C25C20sing1.53Å1.52Å
C20C21sing1.51Å1.50Å
C17C16doub1.35Å1.35Å
C17C19sing1.51Å1.49Å
F2C19sing1.40Å1.32Å
C19Fsing1.40Å1.33Å
C19F1sing1.40Å1.31Å
C21C22doub1.35Å1.38ÅAromatic
C21C23sing1.40Å1.39ÅAromatic
C22N4sing1.35Å1.34ÅAromatic
C23N5doub1.31Å1.32ÅAromatic
N4N5sing1.40Å1.35ÅAromatic
N4C24sing1.46Å1.46Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C9H7sing1.08Å1.08Å
C11H8sing1.08Å1.08Å
C12H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C16H11sing1.08Å1.08Å
C20H12sing1.09Å1.10Å
C22H13sing1.08Å1.08Å
C24H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C24H16sing1.09Å1.10Å
C25H17sing1.09Å1.10Å
C25H18sing1.09Å1.10Å
C25H19sing1.09Å1.10Å
C23H20sing1.08Å1.08Å
C18H21sing1.08Å1.08Å
C4H22sing1.09Å1.10Å
C4H23sing1.09Å1.10Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
C6H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C4118.2°113.6°
CC1C2116.7°113.6°
CC1H1110.9°112.9°
C1CH24109.5°109.5°
C1CH25109.5°109.5°
C1CH26109.5°109.5°
C4C1C288.0°87.1°
C1C4C385.6°87.1°
C4C1H1110.6°113.6°
C1C4H22115.1°113.6°
C1C4H23115.1°113.6°
C1C2C385.7°87.1°
C2C1H1110.6°113.7°
C1C2H2115.0°113.7°
C1C2H3115.0°113.6°
C4C3C287.7°87.1°
C4C3C8120.6°113.6°
C4C3C5113.6°113.7°
C3C4H22115.1°113.6°
C3C4H23115.0°113.5°
C2C3C8114.1°113.6°
C2C3C5115.7°113.6°
C3C2H2115.0°113.6°
C3C2H3115.0°113.6°
C12C13C8120.6°120.2°
C13C12C11119.9°120.2°
C13C12H9120.0°119.9°
C12C13H10119.7°119.9°
C13C8C3120.9°119.9°
C13C8C9119.1°120.2°
C8C13H10119.7°119.9°
C12C11C10120.6°119.9°
C12C11H8119.7°120.1°
C11C12H9120.1°119.9°
C8C3C5105.1°112.9°
C3C8C9120.0°119.9°
C3C5N2123.3°126.3°
C3C5N129.0°126.4°
C8C9C10120.9°119.8°
C8C9H7119.6°120.1°
C11C10C9119.0°119.7°
C11C10C14119.9°120.1°
C10C11H8119.7°120.1°
C9C10C14121.1°120.1°
C10C9H7119.6°120.0°
C10C14C15120.7°120.5°
C10C14C18118.6°120.6°
N2C5N107.7°107.3°
C5N2N1107.9°109.7°
C5NC7128.4°126.9°
C5NC6106.2°106.0°
OC15C14125.1°120.0°
OC15N3119.4°120.2°
C7NC6125.4°127.0°
NC7H4109.5°109.4°
NC7H5109.5°109.5°
NC7H6109.5°109.5°
N2N1C6107.9°109.7°
NC6N1110.2°107.3°
NC6H27124.9°126.3°
C15C14C18120.7°118.9°
C14C15N3115.5°119.8°
C14C18C17120.9°119.0°
C14C18H21119.6°120.5°
C15N3C20119.0°119.4°
C15N3C16121.1°121.0°
C18C17C16119.5°120.1°
C18C17C19119.8°119.9°
C17C18H21119.5°120.5°
N1C6H27124.9°126.4°
C20N3C16119.9°119.5°
N3C20C25111.4°109.5°
N3C20C21109.1°109.4°
N3C20H12107.8°109.5°
N3C16C17122.3°121.1°
N3C16H11118.8°119.5°
C25C20C21113.2°109.4°
C25C20H12107.3°109.5°
C20C25H17109.5°109.4°
C20C25H18109.5°109.5°
C20C25H19109.5°109.5°
C20C21C22126.6°126.0°
C20C21C23129.1°126.1°
C21C20H12107.7°109.5°
C16C17C19120.7°120.0°
C17C16H11118.8°119.4°
C17C19F2111.2°109.5°
C17C19F112.2°109.5°
C17C19F1113.8°109.4°
F2C19F107.4°109.5°
F2C19F1106.5°109.5°
FC19F1105.3°109.4°
C22C21C23104.3°107.9°
C21C22N4107.1°107.7°
C21C22H13126.5°126.2°
C21C23N5112.1°108.3°
C21C23H20124.0°125.9°
C22N4N5112.1°107.9°
C22N4C24127.7°126.0°
N4C22H13126.5°126.1°
C23N5N4104.4°108.2°
N5C23H20124.0°125.9°
N5N4C24120.2°126.0°
N4C24H14109.5°109.4°
N4C24H15109.5°109.5°
N4C24H16109.5°109.5°
H2C2H3109.5°112.9°
H4C7H5109.4°109.5°
H4C7H6109.5°109.4°
H5C7H6109.5°109.5°
H14C24H15109.5°109.4°
H14C24H16109.5°109.4°
H15C24H16109.5°109.6°
H17C25H18109.5°109.5°
H17C25H19109.4°109.5°
H18C25H19109.4°109.5°
H22C4H23109.5°113.0°
H24CH25109.5°109.5°
H24CH26109.4°109.5°
H25CH26109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C4C2119.4°114.5°
CC1C4H1129.3°130.8°
CC1C2H1128.0°130.9°
CC1C4C3146.2°140.0°
CC1C2C3147.5°140.0°
CC1C2H231.9°25.5°
CC1C2H396.8°105.5°
CC1C4H2298.1°105.5°
CC1C4H2330.6°25.5°
C1CH24H25120.0°120.1°
C1CH24H26120.0°120.0°
C1CH25H26120.0°120.0°
C4C1C2H1111.3°114.6°
C1C4C3H22115.7°114.5°
C1C4C3H23115.7°114.5°
C4C1C2C326.8°25.4°
C1C4C3C890.1°89.1°
C1C4C3C5143.8°140.0°
C4C1C2H288.9°89.1°
C4C1C2H3142.5°140.0°
C1C4H22H23131.4°131.3°
C4C1CH24180.0°59.9°
C4C1CH2560.0°180.0°
C4C1CH2660.0°60.1°
C1C2C3H2115.7°114.6°
C1C2C3H3115.7°114.6°
C1C2C3C895.9°89.1°
C1C2C3C5141.9°140.1°
C1C2H2H3131.3°131.3°
C2C1C4H22142.5°140.0°
C2C1C4H2388.9°89.0°
C2C1CH2477.0°157.4°
C2C1CH2543.0°82.5°
C2C1CH26163.0°37.4°
C4C3C2C8122.7°114.5°
C4C3C2C5115.2°114.6°
C4C3C8C139.0°102.7°
C4C3C8C5130.0°131.4°
C4C3C8C9171.1°77.6°
C4C3C5N2104.4°17.5°
C4C3C5N75.7°162.3°
C3C4C1H184.5°89.2°
C4C3C2H289.0°89.2°
C4C3C2H3142.4°140.0°
C3C4H22H23131.4°131.2°
C2C3C8C13111.3°5.2°
C2C3C8C5127.8°131.2°
C2C3C8C968.9°175.0°
C2C3C5N25.2°115.0°
C2C3C5N175.0°64.8°
C3C2C1H184.5°89.2°
C3C2H2H3131.3°131.2°
C2C3C4H22142.4°140.0°
C2C3C4H2389.0°89.1°
C12C13C8H10180.0°179.5°
C13C12C11H9180.0°179.7°
C12C13C8C3179.8°179.7°
C12C13C8C90.0°0.5°
C13C12C11C100.2°0.3°
C13C12C11H8179.9°179.7°
C8C13C12C110.2°0.5°
C13C8C3C9179.8°179.8°
C13C8C3C5120.9°126.0°
C13C8C9C100.2°0.2°
C13C8C9H7179.8°179.7°
C8C13C12H9179.8°179.7°
C12C11C10H8180.0°180.0°
C12C11C10C90.1°0.0°
C12C11C10C14179.5°180.0°
C11C12C13H10179.8°180.0°
C3C8C9C10180.0°180.0°
C8C3C5N2121.6°113.8°
C8C3C5N58.2°66.4°
C8C3C2H2148.4°156.3°
C8C3C2H319.7°25.5°
C3C8C9H70.0°0.0°
C3C8C13H100.2°0.2°
C8C3C4H2225.6°25.4°
C8C3C4H23154.3°156.4°
C5C3C8C958.9°53.8°
C3C5N2N179.9°179.8°
C3C5NC70.2°0.1°
C3C5N2N1179.9°180.0°
C3C5NC6179.9°179.9°
C5C3C2H226.2°25.5°
C5C3C2H3102.4°105.3°
C5C3C4H22100.5°105.5°
C5C3C4H2328.1°25.5°
C8C9C10C110.2°0.0°
C8C9C10H7180.0°180.0°
C8C9C10C14179.6°180.0°
C9C8C13H10180.0°180.0°
C11C10C9C14179.4°180.0°
C11C10C14C15142.6°65.0°
C11C10C14C1837.1°115.3°
C11C10C9H7179.8°180.0°
C10C11C12H9179.8°180.0°
C9C10C14C1538.0°115.0°
C9C10C14C18142.3°64.7°
C9C10C11H8179.9°180.0°
C10C14C15O0.2°0.0°
C10C14C15C18179.7°179.7°
C10C14C15N3179.8°180.0°
C10C14C18C17179.8°180.0°
C14C10C9H70.4°0.0°
C14C10C11H80.5°0.0°
C10C14C18H210.2°0.0°
N2C5NC7179.9°179.7°
N2C5NC60.0°0.3°
C5N2N1C60.1°0.0°
C5NC7C6179.9°179.9°
NC5N2N10.0°0.2°
C5NC6N10.0°0.3°
C5NC7H4180.0°95.0°
C5NC7H560.0°145.0°
C5NC7H660.0°24.9°
C5NC6H27180.0°179.9°
OC15C14N3180.0°180.0°
OC15C14C18179.9°179.8°
OC15N3C200.2°0.0°
OC15N3C16179.8°180.0°
C7NC6N1179.9°179.8°
NC7H4H5120.0°120.0°
NC7H4H6120.0°120.0°
NC7H5H6120.0°120.1°
C7NC6H270.1°0.1°
N2N1C6N0.1°0.2°
N2N1C6H27179.9°180.0°
NC6N1H27180.0°179.8°
C6NC7H40.1°84.9°
C6NC7H5120.1°35.1°
C6NC7H6119.9°155.1°
C15C14C18C170.5°0.3°
C14C15N3C20179.8°180.0°
C14C15N3C160.2°0.0°
C15C14C18H21179.5°179.8°
C18C14C15N30.1°0.3°
C14C18C17H21180.0°180.0°
C14C18C17C160.5°0.0°
C14C18C17C19179.9°180.0°
C15N3C20C16180.0°180.0°
C15N3C20C25124.3°126.2°
C15N3C20C21110.0°113.9°
C15N3C16C170.2°0.2°
C15N3C16H11179.8°180.0°
C15N3C20H126.7°6.2°
C18C17C16N30.2°0.2°
C18C17C16C19179.5°180.0°
C18C17C19F274.5°35.0°
C18C17C19F45.7°85.0°
C18C17C19F1165.2°155.1°
C18C17C16H11179.8°179.9°
N3C20C25C21123.5°119.9°
N3C20C25H12117.8°120.0°
N3C20C21H12116.8°120.0°
C20N3C16C17179.8°179.8°
N3C20C21C2292.4°134.8°
N3C20C21C2387.5°45.5°
C20N3C16H110.2°0.0°
N3C20C25H17180.0°60.1°
N3C20C25H1860.0°60.0°
N3C20C25H1960.0°180.0°
C16N3C20C2555.7°53.8°
C16N3C20C2170.0°66.1°
N3C16C17H11180.0°179.7°
N3C16C17C19179.7°179.7°
C16N3C20H12173.3°173.8°
C25C20C21H12118.5°120.0°
C25C20C21C22142.9°105.3°
C25C20C21C2337.2°74.4°
C20C25H17H18120.0°120.0°
C20C25H17H19120.0°120.0°
C20C25H18H19120.0°120.0°
C20C21C22C23179.9°179.7°
C20C21C22N4179.9°180.0°
C20C21C23N5179.7°180.0°
C20C21C22H130.1°0.0°
C21C20C25H1756.5°180.0°
C21C20C25H18176.6°60.0°
C21C20C25H1963.5°60.1°
C20C21C23H200.3°0.0°
C16C17C19F2105.0°145.0°
C16C17C19F134.8°95.0°
C16C17C19F115.3°25.0°
C16C17C18H21179.4°180.0°
C17C19F2F123.1°120.0°
C17C19F2F1124.5°120.0°
C17C19FF1124.3°120.0°
C19C17C16H110.3°0.0°
C19C17C18H210.1°0.1°
F2C19FF1113.2°120.0°
C21C22N4H13180.0°180.0°
C22C21C23N50.2°0.3°
C21C22N4N50.1°0.2°
C21C22N4C24179.8°180.0°
C22C21C20H1224.4°14.8°
C22C21C23H20179.8°179.7°
C23C21C22N40.0°0.3°
C21C23N5H20180.0°180.0°
C21C23N5N40.2°0.1°
C23C21C20H12155.7°165.5°
C23C21C22H13180.0°179.8°
C22N4N5C230.2°0.0°
C22N4N5C24179.9°179.9°
C22N4C24H14179.9°90.0°
C22N4C24H1560.1°150.1°
C22N4C24H1659.9°29.9°
C23N5N4C24179.7°179.9°
N5N4C22H13179.9°179.9°
N5N4C24H140.0°89.8°
N5N4C24H15120.0°30.1°
N5N4C24H16120.0°150.2°
N4N5C23H20179.7°179.8°
C24N4C22H130.2°0.0°
N4C24H14H15120.0°119.9°
N4C24H14H16120.0°120.0°
N4C24H15H16120.0°120.1°
H1C1C2H2159.8°156.3°
H1C1C2H331.2°25.4°
H1C1C4H2231.2°25.3°
H1C1C4H23159.8°156.4°
H1C1CH2450.9°71.3°
H1C1CH25170.9°48.8°
H1C1CH2669.1°168.7°
H4C7H5H6120.0°120.0°
H8C11C12H90.2°0.0°
H9C12C13H100.2°0.2°
H12C20C25H1762.2°60.0°
H12C20C25H1857.9°180.0°
H12C20C25H19177.8°60.0°
H14C24H15H16120.0°120.0°
H17C25H18H19120.0°120.0°
H24CH25H26120.0°120.0°

224931

PDB entries from 2024-09-11

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