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RAJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C28N6sing1.47Å1.48Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C28H283sing1.09Å1.10Å
N6C29sing1.47Å1.48Å
N6C27sing1.44Å1.48Å
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
C29H293sing1.09Å1.10Å
C27C26sing1.53Å1.54Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C26C25sing1.54Å1.53Å
C26H261sing1.10Å1.10Å
C26H262sing1.10Å1.10Å
C25C20sing1.51Å1.55Å
C25H251sing1.10Å1.10Å
C25H252sing1.10Å1.10Å
C20C21doub1.39Å1.40ÅAromatic
C20C19sing1.39Å1.40ÅAromatic
C19C18doub1.40Å1.40ÅAromatic
C19H19sing1.09Å1.08Å
C21C22sing1.40Å1.41ÅAromatic
C21H21sing1.09Å1.08Å
C22C24sing1.49Å1.55Å
C22C23doub1.40Å1.40ÅAromatic
C24F1sing1.37Å1.34Å
C24F2sing1.37Å1.34Å
C24F3sing1.37Å1.35Å
C23C18sing1.39Å1.42ÅAromatic
C23H23sing1.09Å1.08Å
C18N5sing1.40Å1.35Å
N5C17sing1.41Å1.34Å
N5HN5sing1.03Å1.00Å
C17O1doub1.23Å1.23Å
C17C12sing1.47Å1.54Å
C12C13doub1.39Å1.40ÅAromatic
C12C11sing1.39Å1.39ÅAromatic
C11C10doub1.40Å1.40ÅAromatic
C11H11sing1.09Å1.08Å
C13C14sing1.39Å1.40ÅAromatic
C13H13sing1.09Å1.08Å
C14C15doub1.40Å1.41ÅAromatic
C14H14sing1.09Å1.08Å
C15C10sing1.39Å1.40ÅAromatic
C15C16sing1.49Å1.54Å
C16H161sing1.10Å1.10Å
C16H162sing1.10Å1.10Å
C16H163sing1.10Å1.10Å
C10N4sing1.41Å1.35Å
N4C9sing1.41Å1.33Å
N4HN4sing1.02Å1.00Å
C9N3doub1.36Å1.34ÅAromatic
C9C5sing1.39Å1.41ÅAromatic
N3C8sing1.35Å1.33ÅAromatic
C8C7doub1.39Å1.39ÅAromatic
C8H8sing1.08Å1.08Å
C7C6sing1.39Å1.39ÅAromatic
C7H7sing1.08Å1.08Å
C6C5doub1.39Å1.40ÅAromatic
C6H6sing1.09Å1.08Å
C5C3sing1.45Å1.40ÅAromatic
C3N1sing1.35Å1.34ÅAromatic
C3C2doub1.38Å1.39ÅAromatic
C2C1sing1.38Å1.39ÅAromatic
C2H2sing1.08Å1.08Å
C1N2doub1.35Å1.32ÅAromatic
C1H1sing1.09Å1.08Å
N2C4sing1.35Å1.32ÅAromatic
C4N1doub1.35Å1.33ÅAromatic
C4H4sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N6C28H281109.5°110.2°
N6C28H282109.5°110.3°
N6C28H283109.4°110.2°
C28N6C29112.7°109.5°
C28N6C27111.7°111.4°
H281C28H282109.5°108.8°
H281C28H283109.5°108.8°
H282C28H283109.5°108.6°
C29N6C27110.9°111.4°
N6C29H291109.5°110.1°
N6C29H292109.5°110.2°
N6C29H293109.5°110.3°
N6C27C26115.0°112.6°
N6C27H271107.7°106.8°
N6C27H272106.4°107.9°
H291C29H292109.5°108.7°
H291C29H293109.4°108.8°
H292C29H293109.5°108.7°
C26C27H271107.6°109.8°
C26C27H272106.4°111.7°
C27C26C25109.6°114.5°
C27C26H261109.5°108.9°
C27C26H262109.4°108.6°
H271C27H272113.9°107.8°
C25C26H261109.4°108.0°
C25C26H262109.4°109.8°
C26C25C20111.2°113.9°
C26C25H251108.9°110.1°
C26C25H252108.5°108.8°
H261C26H262109.6°106.6°
C20C25H251108.9°110.2°
C20C25H252108.5°108.1°
C25C20C21118.9°119.4°
C25C20C19120.6°119.4°
H251C25H252110.8°105.4°
C21C20C19120.5°121.2°
C20C21C22119.8°119.4°
C20C21H21120.1°120.6°
C20C19C18120.4°119.4°
C20C19H19119.8°120.5°
C18C19H19119.8°120.1°
C19C18C23118.8°120.0°
C19C18N5120.2°120.0°
C22C21H21120.1°120.0°
C21C22C24120.5°120.0°
C21C22C23119.4°120.0°
C24C22C23120.0°120.0°
C22C24F1111.0°112.6°
C22C24F2109.8°113.6°
C22C24F3109.8°113.6°
C22C23C18121.0°120.1°
C22C23H23119.5°119.9°
F1C24F2107.3°105.5°
F1C24F3109.3°105.6°
F2C24F3109.7°105.1°
C18C23H23119.5°120.1°
C23C18N5120.8°120.0°
C18N5C17126.0°128.5°
C18N5HN5117.0°115.7°
C17N5HN5117.0°115.8°
N5C17O1124.4°123.9°
N5C17C12116.6°115.1°
O1C17C12119.0°121.0°
C17C12C13121.8°119.3°
C17C12C11118.3°119.3°
C13C12C11119.8°121.3°
C12C13C14119.8°119.4°
C12C13H13120.1°121.2°
C12C11C10121.2°119.3°
C12C11H11119.4°120.7°
C10C11H11119.4°120.0°
C11C10C15118.9°120.0°
C11C10N4118.9°119.2°
C14C13H13120.1°119.4°
C13C14C15120.0°120.0°
C13C14H14120.0°119.5°
C15C14H14120.0°120.5°
C14C15C10120.2°120.0°
C14C15C16119.0°118.8°
C10C15C16120.8°121.2°
C15C10N4122.1°120.7°
C15C16H161109.5°110.2°
C15C16H162109.5°111.2°
C15C16H163109.4°111.2°
H161C16H162109.5°108.6°
H161C16H163109.5°108.6°
H162C16H163109.5°106.9°
C10N4C9127.5°132.6°
C10N4HN4116.2°113.5°
C9N4HN4116.3°114.0°
N4C9N3119.1°117.8°
N4C9C5120.7°119.0°
N3C9C5120.2°123.2°
C9N3C8122.5°116.8°
C9C5C6118.3°118.3°
C9C5C3123.7°122.2°
N3C8C7120.2°124.1°
N3C8H8119.9°115.2°
C7C8H8119.9°120.8°
C8C7C6119.6°117.9°
C8C7H7120.2°121.1°
C6C7H7120.2°121.0°
C7C6C5119.2°119.7°
C7C6H6120.4°119.1°
C5C6H6120.4°121.2°
C6C5C3118.0°119.4°
C5C3N1121.8°114.9°
C5C3C2120.2°120.9°
N1C3C2117.9°124.2°
C3N1C4121.7°114.8°
C3C2C1118.7°115.4°
C3C2H2120.7°123.2°
C1C2H2120.6°121.4°
C2C1N2119.7°123.8°
C2C1H1120.1°121.0°
N2C1H1120.1°115.3°
C1N2C4120.6°115.0°
N2C4N1121.3°126.9°
N2C4H4119.4°116.5°
N1C4H4119.3°116.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N6C28H281H282120.0°120.9°
N6C28H281H283120.0°120.9°
N6C28H282H283120.0°120.9°
C28N6C29C27126.0°123.7°
C28N6C29H29140.8°59.6°
C28N6C29H292160.8°60.3°
C28N6C29H29379.1°179.7°
C28N6C27C2659.1°60.6°
C28N6C27H27160.9°60.0°
C28N6C27H272176.6°175.7°
H281C28H282H283120.0°118.2°
H281C28N6C2947.4°176.4°
H281C28N6C2778.2°60.0°
H282C28N6C29167.4°63.5°
H282C28N6C2741.8°60.1°
H283C28N6C2972.5°56.4°
H283C28N6C27161.8°180.0°
N6C29H291H292120.0°120.8°
N6C29H291H293119.9°120.9°
N6C29H292H293120.0°121.0°
C29N6C27C2667.5°176.8°
C29N6C27H271172.5°62.6°
C29N6C27H27250.0°53.1°
C27N6C29H291166.8°176.7°
C27N6C29H29273.1°63.3°
C27N6C29H29346.9°56.7°
N6C27C26H271120.0°118.9°
N6C27C26H272117.5°121.6°
N6C27H271H272117.7°115.7°
N6C27C26C25167.8°61.1°
N6C27C26H26147.8°60.0°
N6C27C26H26272.3°175.8°
H291C29H292H293120.0°118.3°
C26C27H271H272117.7°121.8°
C27C26C25H261120.0°121.6°
C27C26C25H262119.9°122.5°
C27C26H261H262120.0°117.1°
C27C26C25C2099.5°178.5°
C27C26C25H251140.5°54.1°
C27C26C25H25219.8°60.9°
H271C27C26C2572.2°180.0°
H271C27C26H261167.8°58.9°
H271C27C26H26247.7°56.9°
H272C27C26C2550.3°60.5°
H272C27C26H26169.7°178.4°
H272C27C26H262170.2°62.6°
C25C26H261H262119.9°118.0°
C26C25C20H251120.0°124.3°
C26C25C20H252119.3°121.0°
C26C25H251H252119.3°117.2°
C26C25C20C21130.3°90.0°
C26C25C20C1948.6°90.0°
H261C26C25C20140.5°59.9°
H261C26C25H25120.5°175.7°
H261C26C25H252100.2°60.7°
H262C26C25C2020.5°56.0°
H262C26C25H25199.5°68.4°
H262C26C25H252139.8°176.6°
C20C25H251H252119.3°116.4°
C25C20C21C19179.0°179.9°
C25C20C19C18178.6°180.0°
C25C20C19H191.4°0.1°
C25C20C21C22179.8°180.0°
C25C20C21H210.2°0.1°
H251C25C20C21109.6°34.3°
H251C25C20C1971.4°145.7°
H252C25C20C2111.1°148.9°
H252C25C20C19167.9°31.0°
C21C20C19C180.4°0.0°
C21C20C19H19179.6°180.0°
C20C21C22H21180.0°180.0°
C20C21C22C24179.6°180.0°
C20C21C22C231.3°0.0°
C20C19C18H19180.0°179.9°
C19C20C21C221.2°0.0°
C19C20C21H21178.8°180.0°
C20C19C18C231.8°0.0°
C20C19C18N5177.3°180.0°
C19C18C23C221.8°0.0°
C19C18C23N5175.4°180.0°
C19C18C23H23178.2°180.0°
C19C18N5C17154.2°180.0°
C19C18N5HN525.8°0.0°
H19C19C18C23178.1°180.0°
H19C19C18N52.7°0.0°
C21C22C24C23178.4°180.0°
C21C22C24F142.4°119.9°
C21C22C24F276.0°0.0°
C21C22C24F3163.3°120.1°
C21C22C23C180.2°0.0°
C21C22C23H23179.8°180.0°
H21C21C22C240.4°0.0°
H21C21C22C23178.7°180.0°
C22C24F1F2120.0°124.5°
C22C24F1F3121.2°124.5°
C22C24F2F3120.7°124.8°
C24C22C23C18178.1°180.0°
C24C22C23H231.8°0.1°
C23C22C24F1139.2°60.1°
C23C22C24F2102.3°180.0°
C23C22C24F318.4°59.9°
C22C23C18H23180.0°180.0°
C22C23C18N5177.2°180.0°
F1C24F2F3118.6°111.3°
C23C18N5C1730.5°0.0°
C23C18N5HN5149.5°180.0°
H23C23C18N52.8°0.0°
C18N5C17HN5180.0°180.0°
C18N5C17O13.3°0.0°
C18N5C17C12177.7°178.2°
N5C17O1C12179.0°178.1°
N5C17C12C1315.0°153.0°
N5C17C12C11167.0°27.0°
HN5N5C17O1176.8°180.0°
HN5N5C17C122.3°1.8°
O1C17C12C13165.9°28.8°
O1C17C12C1112.1°151.2°
C17C12C13C11178.0°180.0°
C17C12C11C10179.9°180.0°
C17C12C11H110.1°0.0°
C17C12C13C14179.5°180.0°
C17C12C13H130.5°0.0°
C13C12C11C102.0°0.0°
C13C12C11H11178.0°180.0°
C12C13C14H13180.0°180.0°
C12C13C14C151.0°0.0°
C12C13C14H14179.0°179.9°
C12C11C10H11180.0°180.0°
C11C12C13C141.5°0.0°
C11C12C13H13178.5°180.0°
C12C11C10C152.0°0.0°
C12C11C10N4178.7°180.0°
C11C10C15C141.6°0.0°
C11C10C15N4176.6°180.0°
C11C10C15C16179.2°180.0°
C11C10N4C997.3°30.0°
C11C10N4HN482.7°150.0°
H11C11C10C15178.0°180.0°
H11C11C10N41.2°0.0°
C13C14C15H14180.0°179.9°
C13C14C15C101.1°0.0°
C13C14C15C16179.7°180.0°
H13C13C14C15179.0°180.0°
H13C13C14H141.0°0.1°
C14C15C10C16179.2°180.0°
C14C15C16H16114.7°169.8°
C14C15C16H162134.7°69.7°
C14C15C16H163105.3°49.3°
C14C15C10N4178.2°180.0°
H14C14C15C10178.9°179.9°
H14C14C15C160.3°0.1°
C10C15C16H161166.1°10.1°
C10C15C16H16246.1°110.3°
C10C15C16H16373.9°130.7°
C15C10N4C986.1°150.0°
C15C10N4HN493.9°30.0°
C15C16H161H162120.0°122.0°
C15C16H161H163120.0°122.1°
C15C16H162H163120.0°121.6°
C16C15C10N42.6°0.0°
H161C16H162H163120.0°117.0°
C10N4C9HN4180.0°180.0°
C10N4C9N32.9°29.9°
C10N4C9C5177.7°150.0°
N4C9N3C5179.3°179.9°
N4C9N3C8179.9°179.9°
N4C9C5C6178.9°179.9°
N4C9C5C31.1°0.0°
HN4N4C9N3177.1°150.1°
HN4N4C9C52.3°30.0°
C9N3C8C70.6°0.0°
C9N3C8H8179.5°179.9°
N3C9C5C60.4°0.0°
N3C9C5C3178.3°179.9°
C5C9N3C80.6°0.0°
C9C5C6C71.4°0.0°
C9C5C6C3178.0°179.9°
C9C5C6H6178.6°179.9°
C9C5C3N10.0°90.1°
C9C5C3C2177.0°90.0°
N3C8C7H8180.0°179.9°
N3C8C7C60.4°0.0°
N3C8C7H7179.6°179.9°
C8C7C6H7180.0°180.0°
C8C7C6C51.4°0.0°
C8C7C6H6178.6°179.9°
H8C8C7C6179.6°179.9°
H8C8C7H70.4°0.1°
C7C6C5H6180.0°179.9°
C7C6C5C3179.3°179.9°
H7C7C6C5178.6°180.0°
H7C7C6H61.3°0.1°
C6C5C3N1177.8°90.0°
C6C5C3C20.8°90.0°
H6C6C5C30.7°0.0°
C5C3N1C2177.0°179.9°
C5C3C2C1179.4°180.0°
C5C3C2H20.6°0.1°
C5C3N1C4179.5°180.0°
N1C3C2C12.3°0.1°
N1C3C2H2177.7°180.0°
C3N1C4N21.1°0.0°
C3N1C4H4178.9°179.9°
C3C2C1H2180.0°179.9°
C3C2C1N20.8°0.0°
C3C2C1H1179.2°179.9°
C2C3N1C42.5°0.1°
C2C1N2H1180.0°179.9°
C2C1N2C40.6°0.0°
H2C2C1N2179.2°179.9°
H2C2C1H10.8°0.0°
C1N2C4N10.5°0.0°
C1N2C4H4179.5°180.0°
H1C1N2C4179.4°180.0°
N2C4N1H4180.0°180.0°

246704

PDB entries from 2025-12-24

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