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RPR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.39Å1.38ÅAromatic
C1C6sing1.38Å1.40ÅAromatic
C1H11sing1.08Å1.10Å
C2C3sing1.39Å1.38ÅAromatic
C2C11sing1.48Å1.50ÅAromatic
C3C4doub1.38Å1.39ÅAromatic
C3H31sing1.08Å1.10Å
C4C5sing1.38Å1.38ÅAromatic
C4H41sing1.08Å1.10Å
C5C6doub1.38Å1.39ÅAromatic
C5H51sing1.08Å1.10Å
C6C21sing1.51Å1.50Å
C7C8doub1.40Å1.39ÅAromatic
C7C12sing1.38Å1.40ÅAromatic
C7H71sing1.08Å1.10Å
C8C9sing1.40Å1.39ÅAromatic
C8C13sing1.48Å1.48Å
C9C10doub1.38Å1.39ÅAromatic
C9H91sing1.08Å1.10Å
C10C11sing1.39Å1.38ÅAromatic
C10H101sing1.08Å1.10Å
C11C12doub1.39Å1.39ÅAromatic
C12H121sing1.08Å1.10Å
C13N14sing1.35Å1.36Å
C13O33doub1.22Å1.22Å
N14C15sing1.47Å1.46Å
N14H141sing0.97Å1.02Å
C15C16sing1.53Å1.53Å
C15C17sing1.53Å1.55Å
C15H151sing1.09Å1.12Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
C16H163sing1.09Å1.12Å
C17C18sing1.51Å1.54Å
C17C20sing1.53Å1.55Å
C17H171sing1.09Å1.11Å
C18O19sing1.34Å1.43Å
C18O32doub1.21Å1.20Å
O19C34sing1.45Å1.43Å
C20C28sing1.51Å1.51Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.12Å
C21N22sing1.47Å1.47Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.12Å
N22H221sing1.01Å1.02Å
N22H222sing1.01Å1.02Å
C23C24doub1.39Å1.40ÅAromatic
C23C28sing1.38Å1.40ÅAromatic
C23H231sing1.08Å1.10Å
C24C25sing1.39Å1.39ÅAromatic
C24C29sing1.48Å1.47Å
C25C26doub1.38Å1.39ÅAromatic
C25H251sing1.08Å1.10Å
C26C27sing1.38Å1.39ÅAromatic
C26H261sing1.08Å1.10Å
C27C28doub1.38Å1.39ÅAromatic
C27H271sing1.08Å1.10Å
C29N30sing1.38Å1.33Å
C29N31doub1.30Å1.34Å
N30H301sing0.97Å1.02Å
N30H302sing0.97Å1.02Å
N31H311sing0.97Å1.02Å
C34H341sing1.09Å1.12Å
C34H342sing1.09Å1.11Å
C34H343sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6121.3°119.9°
C2C1H11118.8°120.0°
C1C2C3117.8°119.7°
C1C2C11121.1°120.1°
C6C1H11119.9°120.1°
C1C6C5119.9°120.1°
C1C6C21120.0°119.9°
C3C2C11121.1°120.2°
C2C3C4121.9°119.9°
C2C3H31118.9°120.0°
C2C11C10120.1°120.0°
C2C11C12122.1°120.0°
C4C3H31119.2°120.1°
C3C4C5119.9°120.1°
C3C4H41120.1°119.9°
C5C4H41119.9°120.0°
C4C5C6119.1°120.3°
C4C5H51120.2°119.9°
C6C5H51120.7°119.8°
C5C6C21120.1°120.0°
C6C21N22111.2°109.5°
C6C21H211111.6°109.5°
C6C21H212111.6°109.5°
C8C7C12120.6°120.0°
C8C7H71119.6°120.0°
C7C8C9117.8°119.9°
C7C8C13120.7°120.1°
C12C7H71119.8°120.0°
C7C12C11121.3°120.1°
C7C12H121119.7°120.0°
C9C8C13121.4°120.0°
C8C9C10120.9°120.0°
C8C9H91119.7°120.0°
C8C13N14115.5°120.0°
C8C13O33122.8°120.0°
C10C9H91119.4°120.0°
C9C10C11121.5°120.0°
C9C10H101119.4°120.0°
C11C10H101119.1°120.0°
C10C11C12117.8°120.0°
C11C12H121119.0°120.0°
N14C13O33121.7°120.0°
C13N14C15122.9°120.0°
C13N14H141114.7°120.0°
C15N14H141122.4°119.9°
N14C15C16108.8°109.4°
N14C15C17109.5°109.5°
N14C15H151111.2°109.5°
C16C15C17112.8°109.5°
C16C15H151107.7°109.4°
C15C16H161108.8°109.5°
C15C16H162112.5°109.5°
C15C16H163112.5°109.4°
C17C15H151107.0°109.5°
C15C17C18107.9°109.5°
C15C17C20111.8°109.5°
C15C17H171109.7°109.5°
H161C16H162112.5°109.5°
H161C16H163112.4°109.4°
H162C16H16398.0°109.5°
C18C17C20111.4°109.5°
C18C17H171110.0°109.5°
C17C18O19112.4°120.0°
C17C18O32125.0°120.0°
C20C17H171106.1°109.5°
C17C20C28116.8°109.5°
C17C20H201109.5°109.5°
C17C20H202109.5°109.5°
O19C18O32122.6°120.0°
C18O19C34119.4°120.0°
O19C34H341119.4°109.5°
O19C34H342108.7°109.4°
O19C34H343108.7°109.5°
C28C20H201109.6°109.5°
C28C20H202109.6°109.4°
C20C28C23122.8°120.0°
C20C28C27118.6°119.9°
H201C20H202100.6°109.4°
N22C21H211111.6°109.4°
N22C21H212111.6°109.4°
C21N22H221111.2°106.7°
C21N22H222111.6°106.7°
H211C21H21298.8°109.5°
H221N22H222111.6°106.7°
C24C23C28120.9°119.9°
C24C23H231119.7°120.0°
C23C24C25119.3°119.7°
C23C24C29120.8°120.2°
C28C23H231119.4°120.1°
C23C28C27118.5°120.1°
C25C24C29119.8°120.1°
C24C25C26119.9°119.9°
C24C25H251120.3°120.1°
C24C29N30121.5°120.0°
C24C29N31119.3°120.0°
C26C25H251119.7°120.0°
C25C26C27120.3°120.1°
C25C26H261119.8°120.0°
C27C26H261119.9°119.9°
C26C27C28120.9°120.3°
C26C27H271119.4°119.9°
C28C27H271119.7°119.8°
N30C29N31119.3°120.0°
C29N30H301121.4°119.9°
C29N30H302107.9°120.0°
C29N31H311118.8°120.0°
H301N30H302107.9°120.1°
H341C34H342108.6°109.4°
H341C34H343108.6°109.4°
H342C34H343101.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H11180.0°179.3°
C1C2C3C11178.4°179.7°
C1C2C3C41.2°0.3°
C1C2C3H31178.8°179.7°
C2C1C6C50.6°0.7°
C2C1C6C21177.5°179.7°
C1C2C11C10138.7°39.6°
C1C2C11C1240.1°140.3°
C6C1C2C30.6°0.7°
C6C1C2C11179.0°179.6°
C1C6C5C41.2°0.3°
C1C6C5C21178.0°179.6°
C1C6C5H51178.8°179.6°
C1C6C21N2282.0°89.6°
C1C6C21H211152.8°30.3°
C1C6C21H21243.3°150.4°
H11C1C2C3179.4°180.0°
H11C1C2C111.0°0.3°
H11C1C6C5179.5°180.0°
H11C1C6C212.5°0.4°
C2C3C4H31180.0°179.9°
C2C3C4C50.5°0.1°
C2C3C4H41179.5°179.9°
C3C2C11C1039.6°140.1°
C3C2C11C12141.5°40.0°
C11C2C3C4179.5°180.0°
C11C2C3H310.4°0.1°
C2C11C12C7178.2°180.0°
C2C11C10C9178.2°179.6°
C2C11C10C12178.9°179.9°
C2C11C10H1011.8°0.1°
C2C11C12H1211.8°0.0°
C3C4C5H41180.0°179.9°
C3C4C5C60.7°0.1°
C3C4C5H51179.3°180.0°
H31C3C4C5179.5°179.9°
H31C3C4H410.5°0.0°
C4C5C6H51180.0°179.9°
C4C5C6C21176.8°179.9°
H41C4C5C6179.3°180.0°
H41C4C5H510.7°0.1°
C5C6C21N2296.1°90.0°
C5C6C21H21129.2°150.0°
C5C6C21H212138.7°30.0°
H51C5C6C213.2°0.0°
C6C21N22H211125.3°120.0°
C6C21N22H212125.2°120.0°
C6C21H211H212117.5°120.1°
C6C21N22H221180.0°180.0°
C6C21N22H22254.7°66.2°
C8C7C12H71180.0°180.0°
C7C8C9C13178.9°179.8°
C7C8C9C100.3°0.6°
C7C8C9H91179.7°180.0°
C8C7C12C110.1°0.0°
C8C7C12H121179.9°180.0°
C7C8C13N14159.4°180.0°
C7C8C13O3320.6°0.0°
C12C7C8C90.4°0.2°
C12C7C8C13179.3°180.0°
C7C12C11C100.6°0.1°
C7C12C11H121180.0°180.0°
H71C7C8C9179.7°179.8°
H71C7C8C130.8°0.0°
H71C7C12C11179.9°180.0°
H71C7C12H1210.1°0.0°
C8C9C10H91180.0°179.4°
C8C9C10C110.2°0.7°
C8C9C10H101179.8°179.8°
C9C8C13N1421.7°0.2°
C9C8C13O33158.3°179.7°
C13C8C9C10179.2°179.6°
C13C8C9H910.8°0.2°
C8C13N14O33180.0°180.0°
C8C13N14C15172.1°180.0°
C8C13N14H1418.0°0.0°
C9C10C11H101180.0°179.5°
C9C10C11C120.7°0.4°
H91C9C10C11179.8°179.9°
H91C9C10H1010.2°0.4°
C10C11C12H121179.4°179.9°
H101C10C11C12179.3°179.9°
C13N14C15H141180.0°180.0°
C13N14C15C16144.6°90.0°
C13N14C15C1791.7°150.0°
C13N14C15H15126.3°29.9°
O33C13N14C158.0°0.0°
O33C13N14H141172.0°180.0°
N14C15C16C17121.7°120.0°
N14C15C16H151120.6°119.9°
N14C15C17H151120.5°120.0°
N14C15C16H161179.9°60.0°
N14C15C16H16254.8°60.0°
N14C15C16H16354.8°180.0°
N14C15C17C18174.7°60.0°
N14C15C17C2062.5°180.0°
N14C15C17H17154.8°60.0°
H141N14C15C1635.3°90.1°
H141N14C15C1788.3°29.9°
H141N14C15H151153.7°150.0°
C16C15C17H151118.2°120.0°
C15C16H161H162125.3°120.0°
C15C16H161H163125.2°119.9°
C15C16H162H163118.4°120.0°
C16C15C17C1864.0°180.0°
C16C15C17C2058.8°60.0°
C16C15C17H171176.1°60.0°
C17C15C16H16158.4°60.0°
C17C15C16H16266.9°180.0°
C17C15C16H163176.4°60.0°
C15C17C18C20123.0°120.0°
C15C17C18H171119.6°120.0°
C15C17C20H171119.5°120.0°
C15C17C18O1958.9°143.8°
C15C17C18O32119.9°36.3°
C15C17C20C28174.1°175.4°
C15C17C20H20148.8°55.4°
C15C17C20H20260.6°64.6°
H151C15C16H16159.4°180.0°
H151C15C16H162175.3°60.0°
H151C15C16H16365.8°60.1°
H151C15C17C1854.1°60.1°
H151C15C17C20176.9°60.0°
H151C15C17H17165.7°180.0°
H161C16H162H163118.3°120.0°
C18C17C20H171119.7°120.0°
C17C18O19O32178.9°180.0°
C17C18O19C34171.2°180.0°
C18C17C20C2865.1°64.6°
C18C17C20H201169.6°175.4°
C18C17C20H20260.2°55.4°
C20C17C18O19178.1°96.2°
C20C17C18O323.1°83.8°
C17C20C28H201125.3°120.0°
C17C20C28H202125.2°120.0°
C17C20H201H202115.3°120.0°
C17C20C28C2335.4°95.9°
C17C20C28C27147.1°84.4°
H171C17C18O1960.7°23.8°
H171C17C18O32120.4°156.3°
H171C17C20C2854.6°55.4°
H171C17C20H20170.7°64.6°
H171C17C20H202179.9°175.4°
C18O19C34H341180.0°180.0°
C18O19C34H34254.7°60.1°
C18O19C34H34354.7°60.0°
O32C18O19C347.7°0.1°
O19C34H341H342125.3°119.9°
O19C34H341H343125.3°120.1°
O19C34H342H343114.4°120.1°
C28C20H201H202115.4°120.0°
C20C28C23C24175.9°179.7°
C20C28C23C27177.5°179.7°
C20C28C23H2314.1°0.3°
C20C28C27C26175.5°180.0°
C20C28C27H2714.5°0.0°
H201C20C28C2389.9°144.1°
H201C20C28C2787.6°35.6°
H202C20C28C23160.7°24.1°
H202C20C28C2721.9°155.6°
N22C21H211H212117.5°120.0°
C21N22H221H222125.3°113.8°
H211C21N22H22154.8°60.0°
H211C21N22H22270.5°173.8°
H212C21N22H22154.7°60.0°
H212C21N22H222180.0°53.8°
C24C23C28H231180.0°179.4°
C23C24C25C29180.0°179.8°
C23C24C25C261.4°0.2°
C23C24C25H251178.6°179.8°
C24C23C28C271.6°0.6°
C23C24C29N30160.1°179.7°
C23C24C29N3119.6°0.2°
C28C23C24C250.2°0.6°
C28C23C24C29179.8°179.6°
C23C28C27C262.1°0.3°
C23C28C27H271177.9°179.7°
H231C23C24C25179.9°180.0°
H231C23C24C290.2°0.2°
H231C23C28C27178.4°180.0°
C24C25C26H251180.0°180.0°
C24C25C26C270.9°0.1°
C24C25C26H261179.0°180.0°
C25C24C29N3020.0°0.1°
C25C24C29N31160.4°180.0°
C29C24C25C26178.6°179.9°
C29C24C25H2511.4°0.0°
C24C29N30N31179.7°179.9°
C24C29N30H301179.9°179.9°
C24C29N30H30254.8°0.1°
C24C29N31H31190.4°179.9°
C25C26C27H261180.0°180.0°
C25C26C27C280.9°0.0°
C25C26C27H271179.1°180.0°
H251C25C26C27179.1°179.9°
H251C25C26H2610.9°0.1°
C26C27C28H271180.0°180.0°
H261C26C27C28179.2°180.0°
H261C26C27H2710.9°0.0°
C29N30H301H302125.2°180.0°
N30C29N31H31189.9°0.0°
N31C29N30H3010.4°0.0°
N31C29N30H302125.5°180.0°
H341C34H342H343114.2°120.0°

226262

PDB entries from 2024-10-16

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