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XX4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01N02sing1.46Å1.48Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
N02C26sing1.47Å1.50Å
N02C03sing1.35Å1.40Å
C03O04doub1.21Å1.21Å
C03C05sing1.51Å1.50Å
C05C06sing1.53Å1.54Å
C05H051sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C06N07sing1.46Å1.49Å
C06H061sing1.09Å1.10Å
C06H062sing1.09Å1.10Å
N07C24sing1.37Å1.42Å
N07C08sing1.47Å1.51Å
C08C09sing1.51Å1.52Å
C08H081sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
C09C10doub1.36Å1.39ÅAromatic
C09C22sing1.40Å1.45ÅAromatic
C10C11sing1.40Å1.44ÅAromatic
C10H10sing1.08Å1.08Å
C11C12sing1.47Å1.50Å
C11C20doub1.40Å1.44ÅAromatic
C12C14sing1.48Å1.51Å
C12O13doub1.22Å1.22Å
C14C15doub1.40Å1.43ÅAromatic
C14C19sing1.40Å1.43ÅAromatic
C15C16sing1.38Å1.41ÅAromatic
C15H15sing1.08Å1.08Å
C16C17doub1.38Å1.41ÅAromatic
C16H16sing1.08Å1.08Å
C17C18sing1.38Å1.41ÅAromatic
C17H17sing1.08Å1.08Å
C18C19doub1.38Å1.41ÅAromatic
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C20C21sing1.36Å1.39ÅAromatic
C20H20sing1.08Å1.08Å
C21C22doub1.40Å1.42ÅAromatic
C21H21sing1.08Å1.08Å
C22N23sing1.36Å1.36Å
N23C24doub1.32Å1.32Å
C24N25sing1.37Å1.39Å
N25H251sing0.97Å1.00Å
N25H252sing0.97Å1.00Å
C26C27sing1.53Å1.56Å
C26C31sing1.53Å1.56Å
C26H26sing1.09Å1.10Å
C27C28sing1.53Å1.54Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C28C29sing1.53Å1.54Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C29C30sing1.53Å1.54Å
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
C30C31sing1.53Å1.54Å
C30H301sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N02C01H011109.5°109.5°
N02C01H012109.4°109.5°
N02C01H013109.4°109.5°
C01N02C26118.5°120.0°
C01N02C03120.3°120.0°
H011C01H012109.5°109.5°
H011C01H013109.4°109.4°
H012C01H013109.5°109.5°
C26N02C03121.2°120.0°
N02C26C27111.2°109.5°
N02C26C31109.3°109.5°
N02C26H26109.0°109.4°
N02C03O04120.7°120.0°
N02C03C05121.1°120.0°
O04C03C05118.2°120.0°
C03C05C06110.6°109.5°
C03C05H051109.1°109.5°
C03C05H052108.8°109.4°
C06C05H051109.1°109.5°
C06C05H052108.9°109.5°
C05C06N07112.1°109.5°
C05C06H061108.6°109.5°
C05C06H062108.0°109.5°
H051C05H052110.3°109.4°
N07C06H061108.6°109.4°
N07C06H062108.0°109.5°
C06N07C24119.7°120.7°
C06N07C08119.3°120.7°
H061C06H062111.5°109.5°
C24N07C08120.9°118.6°
N07C24N23120.7°120.3°
N07C24N25119.9°119.8°
N07C08C09111.9°107.9°
N07C08H081108.7°109.8°
N07C08H082108.1°109.7°
C09C08H081108.7°109.8°
C09C08H082108.1°109.8°
C08C09C10120.2°120.5°
C08C09C22119.5°119.1°
H081C08H082111.4°109.8°
C10C09C22120.3°120.4°
C09C10C11119.7°119.8°
C09C10H10120.1°120.1°
C09C22C21119.9°119.8°
C09C22N23120.2°120.1°
C11C10H10120.2°120.1°
C10C11C12120.4°120.0°
C10C11C20119.7°120.0°
C12C11C20120.0°120.0°
C11C12C14121.7°120.0°
C11C12O13118.7°120.0°
C11C20C21120.3°120.1°
C11C20H20119.8°120.0°
C14C12O13119.6°120.0°
C12C14C15121.2°120.2°
C12C14C19119.8°120.1°
C15C14C19119.0°119.7°
C14C15C16119.9°119.9°
C14C15H15120.1°120.1°
C14C19C18120.3°119.8°
C14C19H19119.8°120.1°
C16C15H15120.0°120.1°
C15C16C17120.3°120.1°
C15C16H16119.9°119.9°
C17C16H16119.8°120.0°
C16C17C18120.3°120.3°
C16C17H17119.9°119.8°
C18C17H17119.8°119.9°
C17C18C19120.1°120.2°
C17C18H18119.9°119.9°
C19C18H18119.9°120.0°
C18C19H19119.8°120.1°
C21C20H20119.8°119.9°
C20C21C22120.1°119.9°
C20C21H21120.0°120.0°
C22C21H21119.9°120.0°
C21C22N23120.0°120.1°
C22N23C24121.7°121.4°
N23C24N25119.4°120.0°
C24N25H251109.7°119.9°
C24N25H252125.1°120.0°
H251N25H252125.2°120.0°
C27C26C31111.1°109.5°
C27C26H26107.1°109.5°
C26C27C28110.8°109.5°
C26C27H271109.0°109.5°
C26C27H272108.7°109.4°
C31C26H26109.0°109.4°
C26C31C30110.8°109.5°
C26C31H311109.0°109.4°
C26C31H312108.7°109.5°
C28C27H271109.0°109.5°
C28C27H272108.7°109.5°
C27C28C29109.6°109.5°
C27C28H281109.4°109.5°
C27C28H282109.4°109.5°
H271C27H272110.5°109.4°
C29C28H281109.4°109.4°
C29C28H282109.4°109.4°
C28C29C30109.0°109.4°
C28C29H291109.6°109.5°
C28C29H292109.7°109.4°
H281C28H282109.5°109.5°
C30C29H291109.6°109.5°
C30C29H292109.7°109.5°
C29C30C31109.3°109.5°
C29C30H301109.5°109.5°
C29C30H302109.6°109.5°
H291C29H292109.1°109.5°
C31C30H301109.5°109.4°
C31C30H302109.6°109.4°
C30C31H311109.0°109.4°
C30C31H312108.7°109.5°
H301C30H302109.4°109.5°
H311C31H312110.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N02C01H011H012120.0°120.0°
N02C01H011H013120.0°120.0°
N02C01H012H013120.0°120.0°
C01N02C26C03179.6°179.9°
C01N02C03O04180.0°180.0°
C01N02C03C050.2°0.1°
C01N02C26C27133.2°60.0°
C01N02C26C31103.7°60.1°
C01N02C26H2615.4°180.0°
H011C01H012H013120.0°119.9°
H011C01N02C26150.5°89.9°
H011C01N02C0329.1°90.0°
H012C01N02C2689.5°150.0°
H012C01N02C0390.9°30.0°
H013C01N02C2630.5°30.0°
H013C01N02C03149.1°150.1°
C26N02C03O040.5°0.1°
C26N02C03C05179.3°180.0°
N02C26C27C31122.0°120.0°
N02C26C27H26119.0°120.0°
N02C26C31H26119.0°119.9°
N02C26C27C28175.4°180.0°
N02C26C27H27164.6°60.0°
N02C26C27H27256.0°60.0°
N02C26C31C30176.8°180.0°
N02C26C31H31156.8°60.0°
N02C26C31H31263.7°60.0°
N02C03O04C05179.8°179.9°
N02C03C05C06102.8°179.9°
N02C03C05H051137.2°59.9°
N02C03C05H05216.8°60.0°
C03N02C26C2747.2°119.9°
C03N02C26C3175.9°120.0°
C03N02C26H26165.1°0.1°
O04C03C05C0677.1°0.0°
O04C03C05H05143.0°120.0°
O04C03C05H052163.4°120.0°
C03C05C06H051120.0°120.0°
C03C05C06H052119.5°120.0°
C03C05H051H052119.5°119.9°
C03C05C06N0714.0°180.0°
C03C05C06H061105.9°60.0°
C03C05C06H062132.9°60.0°
C06C05H051H052119.5°120.0°
C05C06N07H061120.0°120.0°
C05C06N07H062118.9°120.0°
C05C06H061H062119.0°120.1°
C05C06N07C2494.0°90.0°
C05C06N07C0887.4°89.8°
H051C05C06N07134.1°60.0°
H051C05C06H06114.1°180.0°
H051C05C06H062107.0°60.0°
H052C05C06N07105.5°60.0°
H052C05C06H061134.5°60.0°
H052C05C06H06213.4°180.0°
N07C06H061H062118.9°120.0°
C06N07C24C08178.6°179.8°
C06N07C08C09173.9°139.3°
C06N07C08H08166.1°19.6°
C06N07C08H08254.9°101.1°
C06N07C24N23167.6°148.5°
C06N07C24N2511.8°31.3°
H061C06N07C2426.0°30.0°
H061C06N07C08152.7°150.2°
H062C06N07C24147.1°149.9°
H062C06N07C0831.5°30.3°
C24N07C08C097.5°41.0°
C24N07C08H081112.5°160.6°
C24N07C08H082126.5°78.6°
N07C24N23C2226.1°2.6°
N07C24N23N25179.4°179.8°
N07C24N25H2510.3°0.0°
N07C24N25H252179.7°180.0°
N07C08C09H081120.0°119.6°
N07C08C09H082119.0°119.6°
N07C08H081H082119.0°120.7°
N07C08C09C10167.8°153.9°
N07C08C09C2212.2°26.2°
C08N07C24N2311.0°31.7°
C08N07C24N25169.6°148.5°
C09C08H081H082119.0°120.8°
C08C09C10C22179.9°179.9°
C08C09C10C11179.9°179.5°
C08C09C10H100.1°0.6°
C08C09C22C21179.9°179.2°
C08C09C22N230.4°1.8°
H081C08C09C1072.2°34.3°
H081C08C09C22107.7°145.9°
H082C08C09C1048.9°86.5°
H082C08C09C22131.2°93.3°
C09C10C11H10180.0°179.9°
C09C10C11C12179.5°179.9°
C09C10C11C200.0°0.1°
C10C09C22C210.2°0.7°
C10C09C22N23179.5°178.3°
C22C09C10C110.1°0.4°
C22C09C10H10179.9°179.5°
C09C22C21C200.0°0.5°
C09C22C21N23179.7°179.0°
C09C22C21H21180.0°179.5°
C09C22N23C2420.7°12.2°
C10C11C12C20179.5°180.0°
C10C11C12C1461.3°34.4°
C10C11C12O13117.9°145.5°
C10C11C20C210.2°0.2°
C10C11C20H20179.8°179.8°
H10C10C11C120.5°0.0°
H10C10C11C20180.0°180.0°
C11C12C14O13179.2°179.9°
C11C12C14C152.2°172.2°
C11C12C14C19177.8°8.1°
C12C11C20C21179.3°179.7°
C12C11C20H200.7°0.3°
C20C11C12C14119.2°145.5°
C20C11C12O1361.6°34.5°
C11C20C21H20180.0°180.0°
C11C20C21C220.1°0.0°
C11C20C21H21179.9°180.0°
C12C14C15C19180.0°179.7°
C12C14C15C16179.7°180.0°
C12C14C15H150.3°0.0°
C12C14C19C18179.5°179.7°
C12C14C19H190.5°0.0°
O13C12C14C15178.6°7.8°
O13C12C14C191.4°171.9°
C14C15C16H15180.0°180.0°
C14C15C16C170.0°0.0°
C14C15C16H16180.0°180.0°
C15C14C19C180.5°0.6°
C15C14C19H19179.5°179.7°
C19C14C15C160.2°0.3°
C19C14C15H15179.7°179.7°
C14C19C18C170.5°0.6°
C14C19C18H19180.0°179.7°
C14C19C18H18179.4°179.7°
C15C16C17H16180.0°180.0°
C15C16C17C180.1°0.0°
C15C16C17H17179.9°180.0°
H15C15C16C17179.9°180.0°
H15C15C16H160.0°0.0°
C16C17C18H17180.0°179.9°
C16C17C18C190.3°0.3°
C16C17C18H18179.7°179.9°
H16C16C17C18179.9°180.0°
H16C16C17H170.1°0.0°
C17C18C19H18180.0°179.7°
C17C18C19H19179.5°179.7°
H17C17C18C19179.7°179.7°
H17C17C18H180.4°0.0°
H18C18C19H190.6°0.0°
C20C21C22H21180.0°179.9°
C20C21C22N23179.7°178.5°
H20C20C21C22179.9°179.9°
H20C20C21H210.1°0.0°
C21C22N23C24159.6°166.8°
H21C21C22N230.4°1.4°
C22N23C24N25154.4°177.6°
N23C24N25H251179.7°179.8°
N23C24N25H2520.3°0.2°
C24N25H251H252180.0°180.0°
C27C26C31H26117.8°120.0°
C26C27C28H271120.0°120.0°
C26C27C28H272119.4°120.0°
C26C27H271H272119.4°119.9°
C26C27C28C2957.9°60.0°
C26C27C28H28162.1°60.0°
C26C27C28H282177.8°180.0°
C27C26C31C3053.7°59.9°
C27C26C31H31166.3°60.0°
C27C26C31H312173.2°180.0°
C31C26C27C2853.4°60.0°
C31C26C27H271173.4°180.0°
C31C26C27H27266.0°60.1°
C26C31C30C2958.4°60.0°
C26C31C30H311120.0°119.9°
C26C31C30H312119.5°120.0°
C26C31C30H30161.6°60.1°
C26C31C30H302178.5°180.0°
C26C31H311H312119.5°120.0°
H26C26C27C2865.6°60.0°
H26C26C27H27154.4°60.0°
H26C26C27H272175.0°180.0°
H26C26C31C3064.1°60.1°
H26C26C31H311175.9°180.0°
H26C26C31H31255.3°60.0°
C28C27H271H272119.5°120.0°
C27C28C29H281120.0°120.0°
C27C28C29H282120.0°120.0°
C27C28H281H282119.9°120.1°
C27C28C29C3062.7°60.0°
C27C28C29H291177.3°180.0°
C27C28C29H29257.5°60.0°
H271C27C28C29177.9°180.0°
H271C27C28H28157.9°60.0°
H271C27C28H28262.2°60.0°
H272C27C28C2961.6°60.0°
H272C27C28H281178.4°180.0°
H272C27C28H28258.4°60.0°
C29C28H281H282120.0°119.9°
C28C29C30H291120.0°120.0°
C28C29C30H292120.2°120.0°
C28C29H291H292120.2°120.0°
C28C29C30C3162.9°60.0°
C28C29C30H30157.1°60.0°
C28C29C30H302177.1°180.0°
H281C28C29C3057.3°60.0°
H281C28C29H29162.7°59.9°
H281C28C29H292177.5°180.0°
H282C28C29C30177.4°180.0°
H282C28C29H29157.3°60.0°
H282C28C29H29262.5°60.0°
C30C29H291H292120.2°120.0°
C29C30C31H301120.0°120.1°
C29C30C31H302120.1°120.0°
C29C30H301H302120.1°120.0°
C29C30C31H31161.6°60.0°
C29C30C31H312177.9°180.0°
H291C29C30C31177.1°180.0°
H291C29C30H30162.9°60.0°
H291C29C30H30257.1°60.1°
H292C29C30C3157.3°60.0°
H292C29C30H301177.3°180.0°
H292C29C30H30262.7°60.0°
C31C30H301H302120.1°119.9°
C30C31H311H312119.4°120.0°
H301C30C31H311178.5°180.0°
H301C30C31H31257.9°60.0°
H302C30C31H31158.5°60.0°
H302C30C31H31262.0°60.0°

224931

PDB entries from 2024-09-11

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