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857

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22N5sing1.46Å1.48Å
O2C20doub1.22Å1.23Å
N5C20sing1.35Å1.33Å
C20C11sing1.48Å1.45Å
C11N3doub1.33Å1.39ÅAromatic
C11C12sing1.39Å1.42ÅAromatic
N3C9sing1.32Å1.38ÅAromatic
C12C13doub1.39Å1.42ÅAromatic
C9C8doub1.38Å1.42ÅAromatic
C13C8sing1.39Å1.45ÅAromatic
C13O1sing1.36Å1.40Å
O1C18sing1.36Å1.37Å
C1C18doub1.39Å1.46ÅAromatic
C1C17sing1.38Å1.45ÅAromatic
C18C14sing1.38Å1.46ÅAromatic
C17C16doub1.38Å1.46ÅAromatic
C14C15doub1.39Å1.43ÅAromatic
C16C15sing1.40Å1.45ÅAromatic
C16O4sing1.35Å1.33ÅAromatic
C15N4sing1.36Å1.35ÅAromatic
O4C19sing1.34Å1.39ÅAromatic
N4C19doub1.31Å1.37ÅAromatic
C19N2sing1.38Å1.45Å
N2C25sing1.40Å1.36Å
C25C24doub1.39Å1.47ÅAromatic
C25C6sing1.39Å1.43ÅAromatic
C24C21sing1.38Å1.42ÅAromatic
C6C7doub1.39Å1.43ÅAromatic
C21C10doub1.38Å1.43ÅAromatic
C7C10sing1.39Å1.44ÅAromatic
C7O3sing1.36Å1.40Å
C10CLsing1.74Å1.72Å
C23O3sing1.43Å1.47Å
C23C5sing1.53Å1.53Å
C5N1sing1.49Å1.50Å
C5C4sing1.55Å1.53Å
C26N1sing1.47Å1.49Å
N1C2sing1.48Å1.52Å
C4C3sing1.55Å1.50Å
C2C3sing1.54Å1.52Å
C21H21sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
N2HN2sing0.97Å1.00Å
N5HN5sing0.97Å1.00Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C22H223sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C2H21Asing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22N5C20111.8°120.0°
C22N5HN5124.1°120.0°
N5C22H221109.5°109.5°
N5C22H222109.5°109.4°
N5C22H223109.4°109.5°
O2C20N5122.0°120.0°
O2C20C11124.1°120.0°
N5C20C11113.8°120.0°
C20N5HN5124.1°120.0°
C20C11N3123.3°119.7°
C20C11C12116.8°119.7°
N3C11C12119.9°120.6°
C11N3C9126.9°121.8°
C11C12C13115.0°119.0°
C11C12H12122.5°120.5°
N3C9C8115.7°121.0°
N3C9H9122.1°119.5°
C12C13C8124.0°118.4°
C12C13O1109.8°120.8°
C13C12H12122.5°120.5°
C9C8C13118.5°119.2°
C9C8H8120.7°120.3°
C8C9H9122.1°119.5°
C8C13O1126.1°120.8°
C13C8H8120.8°120.4°
C13O1C18124.4°118.0°
O1C18C1119.1°119.9°
O1C18C14116.8°119.8°
C18C1C17117.7°120.4°
C1C18C14124.1°120.3°
C18C1H1121.1°119.8°
C1C17C16119.3°120.0°
C1C17H17120.3°120.0°
C17C1H1121.1°119.8°
C18C14C15116.0°119.7°
C18C14H14122.0°120.2°
C17C16C15120.9°119.9°
C17C16O4129.3°133.7°
C16C17H17120.4°120.0°
C14C15C16122.0°119.7°
C14C15N4129.6°133.6°
C15C14H14122.0°120.1°
C15C16O4109.6°106.4°
C16C15N4108.3°106.6°
C16O4C19103.5°108.2°
C15N4C19104.2°108.7°
O4C19N4114.3°110.1°
O4C19N2123.6°125.0°
N4C19N2121.7°125.0°
C19N2C25129.4°120.0°
C19N2HN2115.3°120.0°
N2C25C24124.8°120.1°
N2C25C6112.6°120.0°
C25N2HN2115.3°120.0°
C24C25C6122.4°119.9°
C25C24C21121.4°120.1°
C25C24H24119.3°120.0°
C25C6C7116.5°119.9°
C25C6H6121.7°120.0°
C24C21C10114.5°120.1°
C24C21H21122.8°119.9°
C21C24H24119.3°119.9°
C6C7C10119.5°120.0°
C6C7O3124.1°120.0°
C7C6H6121.8°120.1°
C21C10C7125.6°120.0°
C21C10CL117.5°120.0°
C10C21H21122.8°119.9°
C10C7O3116.3°120.0°
C7C10CL116.8°120.0°
C7O3C23115.1°117.0°
O3C23C5110.7°109.5°
O3C23H231109.0°109.4°
O3C23H232108.8°109.4°
C23C5N1110.8°110.7°
C23C5C4109.4°110.7°
C5C23H231109.1°109.5°
C5C23H232108.8°109.5°
C23C5H5106.5°110.6°
N1C5C4102.0°103.2°
C5N1C26110.1°111.0°
C5N1C2113.9°105.8°
N1C5H5113.4°110.6°
C5C4C3111.6°102.9°
C5C4H41108.7°110.7°
C5C4H42108.3°110.8°
C4C5H5114.7°110.8°
C26N1C2111.8°111.0°
N1C26H261109.5°109.5°
N1C26H262109.5°109.4°
N1C26H263109.4°109.4°
N1C2C3104.5°107.1°
N1C2H21A111.2°109.9°
N1C2H22112.2°110.0°
C4C3C2107.8°105.1°
C4C3H31110.0°110.3°
C4C3H32110.4°110.3°
C3C4H41108.8°110.7°
C3C4H42108.3°110.8°
C3C2H21A111.1°109.9°
C3C2H22112.2°109.9°
C2C3H31110.0°110.3°
C2C3H32110.4°110.3°
H221C22H222109.5°109.4°
H221C22H223109.4°109.5°
H222C22H223109.5°109.5°
H231C23H232110.5°109.5°
H21AC2H22105.7°110.1°
H31C3H32108.2°110.3°
H41C4H42111.2°110.6°
H261C26H262109.5°109.5°
H261C26H263109.4°109.5°
H262C26H263109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C22N5C20O216.0°0.1°
C22N5C20HN5180.0°179.9°
C22N5C20C11163.7°180.0°
N5C22H221H222120.0°120.0°
N5C22H221H223119.9°120.1°
N5C22H222H223120.0°120.0°
O2C20N5C11179.7°180.0°
O2C20C11N3170.6°180.0°
O2C20C11C126.4°0.3°
O2C20N5HN5164.0°180.0°
N5C20C11N39.1°0.0°
N5C20C11C12173.9°179.7°
C20N5C22H22161.7°59.9°
C20N5C22H222178.2°60.0°
C20N5C22H22358.2°180.0°
C20C11N3C12176.9°179.7°
C20C11N3C9177.5°179.7°
C20C11C12C13175.6°179.7°
C20C11C12H124.4°0.2°
C11C20N5HN516.3°0.0°
N3C11C12C131.5°0.0°
C11N3C9C81.1°0.1°
N3C11C12H12178.5°179.9°
C11N3C9H9179.0°179.9°
C12C11N3C90.6°0.0°
C11C12C13H12180.0°179.9°
C11C12C13C83.2°0.0°
C11C12C13O1173.2°180.0°
N3C9C8H9180.0°180.0°
N3C9C8C130.6°0.0°
N3C9C8H8179.4°180.0°
C12C13C8C92.8°0.0°
C12C13C8O1175.8°180.0°
C12C13O1C18175.0°5.2°
C12C13C8H8177.2°179.9°
C9C8C13H8180.0°179.9°
C9C8C13O1173.0°180.0°
C8C13O1C188.7°174.8°
C8C13C12H12176.8°180.0°
C13C8C9H9179.4°180.0°
C13O1C18C1103.0°76.6°
C13O1C18C1479.6°103.8°
O1C13C12H126.8°0.1°
O1C13C8H87.0°0.1°
O1C18C1C14177.2°179.6°
O1C18C1C17177.1°180.0°
O1C18C14C15176.3°180.0°
O1C18C14H143.7°0.2°
O1C18C1H12.9°0.4°
C18C1C17H1180.0°179.6°
C18C1C17C160.9°0.1°
C1C18C14C150.9°0.4°
C1C18C14H14179.1°179.8°
C18C1C17H17179.1°179.8°
C17C1C18C140.1°0.4°
C1C17C16H17180.0°179.9°
C1C17C16C151.1°0.1°
C1C17C16O4174.9°180.0°
C18C14C15H14180.0°179.7°
C18C14C15C160.8°0.2°
C18C14C15N4174.8°179.7°
C14C18C1H1179.9°180.0°
C17C16C15C140.2°0.0°
C17C16C15O4176.7°179.9°
C17C16C15N4176.6°180.0°
C17C16O4C19176.4°180.0°
C16C17C1H1179.1°179.8°
C14C15C16N4176.4°180.0°
C14C15C16O4176.5°180.0°
C14C15N4C19176.3°180.0°
C15C16O4C190.1°0.0°
C16C15N4C190.3°0.0°
C16C15C14H14179.3°180.0°
C15C16C17H17178.9°180.0°
O4C16C15N40.1°0.1°
C16O4C19N40.3°0.0°
C16O4C19N2173.7°180.0°
O4C16C17H175.1°0.0°
C15N4C19O40.3°0.0°
C15N4C19N2173.9°179.9°
N4C15C14H145.2°0.0°
O4C19N4N2173.5°180.0°
O4C19N2C25156.3°0.0°
O4C19N2HN223.7°180.0°
N4C19N2C2530.7°180.0°
N4C19N2HN2149.3°0.0°
C19N2C25HN2180.0°180.0°
C19N2C25C2422.6°33.0°
C19N2C25C6161.8°147.0°
N2C25C24C6175.2°180.0°
N2C25C24C21173.4°179.9°
N2C25C6C7174.7°180.0°
N2C25C24H246.6°0.0°
N2C25C6H65.3°0.0°
C25C24C21H24180.0°179.9°
C24C25C6C71.0°0.0°
C25C24C21C101.8°0.0°
C25C24C21H21178.2°179.8°
C24C25C6H6179.0°180.0°
C24C25N2HN2157.4°147.0°
C6C25C24C211.8°0.0°
C25C6C7H6180.0°180.0°
C25C6C7C100.4°0.1°
C25C6C7O3178.9°180.0°
C6C25C24H24178.2°180.0°
C6C25N2HN218.2°33.0°
C24C21C10H21180.0°179.8°
C24C21C10C71.2°0.1°
C24C21C10CL176.9°179.7°
C6C7C10C210.5°0.1°
C6C7C10O3178.6°179.9°
C6C7C10CL177.6°179.8°
C6C7O3C2327.8°0.1°
C21C10C7CL178.2°179.7°
C21C10C7O3179.2°180.0°
C10C21C24H24178.2°180.0°
C10C7O3C23153.7°179.9°
C7C10C21H21178.7°179.7°
C10C7C6H6179.6°179.9°
O3C7C10CL1.0°0.3°
C7O3C23C5173.7°180.0°
O3C7C6H61.1°0.0°
C7O3C23H23166.3°60.0°
C7O3C23H23254.3°59.9°
CLC10C21H213.1°0.0°
O3C23C5H231120.0°120.0°
O3C23C5H232119.5°120.0°
O3C23C5N135.0°66.4°
O3C23C5C476.7°179.7°
O3C23H231H232119.5°120.0°
O3C23C5H5158.8°56.5°
C23C5N1C4116.4°118.5°
C23C5N1H5119.7°123.0°
C23C5C4H5119.6°123.1°
C23C5N1C26113.5°81.8°
C23C5N1C2120.0°157.6°
C23C5C4C3120.8°155.9°
C5C23H231H232119.5°120.0°
C23C5C4H410.8°85.8°
C23C5C4H42120.1°37.4°
N1C5C4H5123.1°118.4°
C5N1C26C2127.6°117.4°
N1C5C4C33.5°37.4°
C5N1C2C32.5°25.3°
N1C5C23H231155.0°53.6°
N1C5C23H23284.5°173.6°
C5N1C2H21A117.5°94.0°
C5N1C2H22124.4°144.6°
N1C5C4H41116.5°155.8°
N1C5C4H42122.6°81.1°
C5N1C26H26168.4°57.3°
C5N1C26H262171.6°62.7°
C5N1C26H26351.6°177.3°
C4C5N1C26130.1°159.7°
C4C5N1C23.7°39.2°
C5C4C3H41120.0°118.3°
C5C4C3H42119.1°118.5°
C5C4C3C22.2°22.0°
C4C5C23H23143.3°60.3°
C4C5C23H232163.9°59.8°
C5C4C3H31122.2°97.0°
C5C4C3H32118.5°140.9°
C5C4H41H42119.1°123.3°
C26N1C2C3128.1°145.8°
C26N1C2H21A8.1°26.5°
C26N1C2H22110.1°94.8°
C26N1C5H56.2°41.1°
N1C26H261H262120.0°120.0°
N1C26H261H263120.0°120.0°
N1C26H262H263120.0°119.9°
N1C2C3C40.2°1.2°
N1C2C3H21A120.0°119.4°
N1C2C3H22121.8°119.4°
N1C2H21AH22122.0°121.3°
N1C2C3H31119.8°120.1°
N1C2C3H32120.8°117.8°
C2N1C5H5120.2°79.4°
C2N1C26H261164.0°60.1°
C2N1C26H26243.9°179.9°
C2N1C26H26376.1°59.9°
C4C3C2H31120.0°118.9°
C4C3C2H32120.7°119.0°
C4C3C2H21A119.9°118.1°
C4C3C2H22122.0°120.6°
C4C3H31H32120.6°122.1°
C3C4H41H42119.1°123.2°
C3C4C5H5119.6°81.0°
C3C2H21AH22122.0°121.1°
C2C3H31H32120.7°122.2°
C2C3C4H41117.8°140.3°
C2C3C4H42121.3°96.6°
H21C21C24H241.8°0.3°
H8C8C9H90.6°0.0°
H17C17C1H10.9°0.2°
HN5N5C22H221118.2°120.0°
HN5N5C22H2221.8°120.1°
HN5N5C22H223121.8°0.1°
H221C22H222H223120.0°119.9°
H231C23C5H581.2°176.5°
H232C23C5H539.3°63.5°
H21AC2C3H31120.2°0.8°
H21AC2C3H320.8°122.9°
H22C2C3H312.0°120.5°
H22C2C3H32117.4°1.6°
H31C3C4H412.2°21.4°
H31C3C4H42118.7°144.5°
H32C3C4H41121.5°100.7°
H32C3C4H420.6°22.4°
H41C4C5H5120.4°37.4°
H42C4C5H50.5°160.5°
H261C26H262H263120.0°120.1°

249697

PDB entries from 2026-02-25

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