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RBU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C1C2doub1.38Å1.38ÅAromatic
C1N1sing1.35Å1.36ÅAromatic
C1H1sing0.94Å1.08Å
C2C3sing1.37Å1.39ÅAromatic
C2H2sing0.94Å1.08Å
C3C4doub1.37Å1.39ÅAromatic
C3H3sing0.94Å1.08Å
C4C5sing1.39Å1.38ÅAromatic
C4H4sing0.94Å1.08Å
C5N1doub1.33Å1.39ÅAromatic
C5C6sing1.47Å1.41Å
RUN1sing2.41Å2.06Å
RUN3sing2.08Å2.05Å
RUN5sing2.14Å2.11Å
N2C6doub1.34Å1.38ÅAromatic
N2C10sing1.33Å1.36ÅAromatic
N3C11sing1.34Å1.36ÅAromatic
N3C15doub1.33Å1.37ÅAromatic
N4C16doub1.36Å1.37ÅAromatic
N4C20sing1.34Å1.37ÅAromatic
N5C21doub1.32Å1.32ÅAromatic
N5C23sing1.37Å1.38ÅAromatic
N6C21sing1.33Å1.34ÅAromatic
N6C22sing1.35Å1.34ÅAromatic
N6HN6sing0.87Å1.00Å
C6C7sing1.38Å1.40ÅAromatic
C7C8doub1.37Å1.38ÅAromatic
C7H7sing0.95Å1.08Å
C8C9sing1.37Å1.39ÅAromatic
C8H8sing0.94Å1.08Å
C9C10doub1.38Å1.39ÅAromatic
C9H9sing0.94Å1.08Å
C10H10sing0.94Å1.08Å
C11C12doub1.37Å1.38ÅAromatic
C11H11sing0.94Å1.08Å
C12C13sing1.37Å1.38ÅAromatic
C12H12sing0.94Å1.08Å
C13C14doub1.38Å1.38ÅAromatic
C13H13sing0.94Å1.08Å
C14C15sing1.40Å1.39ÅAromatic
C14H14sing0.94Å1.08Å
C15C16sing1.49Å1.40Å
C16C17sing1.39Å1.39ÅAromatic
C17C18doub1.37Å1.39ÅAromatic
C17H17sing0.94Å1.08Å
C18C19sing1.37Å1.38ÅAromatic
C18H18sing0.94Å1.08Å
C19C20doub1.38Å1.39ÅAromatic
C19H19sing0.94Å1.08Å
C20H20sing0.94Å1.08Å
C21H21sing0.94Å1.08Å
C22C23doub1.32Å1.37ÅAromatic
C22H22sing0.93Å1.08Å
C23H23sing0.94Å1.08Å
N2RUsing2.50Å2.10Å
RUN4sing2.34Å2.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C2C1N1120.1°123.7°
C2C1H1119.9°117.9°
C1C2C3119.4°118.2°
C1C2H2120.3°120.8°
N1C1H1120.0°118.3°
C1N1C5120.6°116.4°
C1N1RU125.7°126.1°
C3C2H2120.3°120.9°
C2C3C4120.8°118.8°
C2C3H3119.6°120.7°
C4C3H3119.6°120.5°
C3C4C5118.8°119.1°
C3C4H4120.6°120.3°
C5C4H4120.6°120.1°
C4C5N1120.3°122.1°
C4C5C6122.5°120.8°
N1C5C6117.2°114.9°
C5N1RU113.7°87.3°
C5C6N2116.4°116.1°
C5C6C7123.0°121.0°
N1RUN392.7°117.8°
N1RUN580.8°85.3°
N1RUN279.6°83.1°
N1RUN493.2°81.4°
N3RUN5173.4°156.4°
RUN3C11125.5°124.2°
RUN3C15113.7°118.0°
N3RUN291.8°94.2°
N3RUN479.4°74.3°
RUN5C21128.5°132.5°
RUN5C23127.3°117.5°
N5RUN285.6°93.1°
N5RUN4102.4°107.1°
C6N2C10120.5°117.3°
N2C6C7120.5°122.9°
C6N2RU113.0°79.2°
N2C10C9120.1°123.2°
N2C10H10120.0°117.8°
C10N2RU126.4°123.7°
C11N3C15120.8°117.8°
N3C11C12120.0°124.2°
N3C11H11120.0°117.6°
N3C15C14120.4°121.4°
N3C15C16117.0°114.9°
C16N4C20120.5°116.6°
N4C16C15116.7°115.6°
N4C16C17120.3°122.1°
C16N4RU113.2°104.2°
N4C20C19120.4°123.8°
N4C20H20119.8°117.7°
C20N4RU126.3°127.8°
C21N5C23104.2°105.0°
N5C21N6112.7°110.8°
N5C21H21123.7°125.0°
N5C23C22109.5°110.1°
N5C23H23125.3°124.7°
C21N6C22107.0°107.2°
C21N6HN6126.5°126.7°
N6C21H21123.6°124.2°
C22N6HN6126.5°126.1°
N6C22C23106.7°107.0°
N6C22H22126.7°126.3°
C6C7C8118.8°118.8°
C6C7H7120.6°120.4°
C8C7H7120.6°120.7°
C7C8C9120.2°119.0°
C7C8H8119.9°120.3°
C9C8H8119.9°120.7°
C8C9C10119.9°118.5°
C8C9H9120.1°120.8°
C10C9H9120.1°120.7°
C9C10H10120.0°118.4°
C12C11H11120.0°118.0°
C11C12C13119.7°118.1°
C11C12H12120.1°120.8°
C13C12H12120.1°121.1°
C12C13C14120.3°119.1°
C12C13H13119.9°120.5°
C14C13H13119.8°120.4°
C13C14C15118.9°119.3°
C13C14H14120.5°120.0°
C15C14H14120.6°120.6°
C14C15C16122.6°123.5°
C15C16C17123.0°122.1°
C16C17C18119.2°119.3°
C16C17H17120.4°120.6°
C18C17H17120.4°120.1°
C17C18C19120.3°119.2°
C17C18H18119.8°120.2°
C19C18H18119.8°120.6°
C18C19C20119.2°118.7°
C18C19H19120.4°120.6°
C20C19H19120.4°120.7°
C19C20H20119.8°118.2°
C23C22H22126.7°126.7°
C22C23H23125.3°125.2°
N2RUN4168.4°153.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C2C1N1H1180.0°175.4°
C1C2C3H2180.0°179.4°
C1C2C3C40.3°2.0°
C1C2C3H3179.7°179.4°
C2C1N1C50.6°10.6°
C2C1N1RU179.7°96.6°
N1C1C2C30.3°4.0°
N1C1C2H2179.7°176.5°
C1N1C5C40.8°15.5°
C1N1C5RU179.2°129.4°
C1N1C5C6179.8°179.0°
C1N1RUN388.0°134.6°
C1N1RUN593.5°40.6°
C1N1RUN2179.3°134.3°
C1N1RUN48.5°67.5°
H1C1C2C3179.7°179.5°
H1C1C2H20.3°1.1°
H1C1N1C5179.4°173.9°
H1C1N1RU0.3°78.8°
C2C3C4H3180.0°178.6°
C2C3C4C50.5°6.7°
C2C3C4H4179.5°177.9°
H2C2C3C4179.7°178.6°
H2C2C3H30.3°0.0°
C3C4C5H4180.0°171.2°
C3C4C5N10.7°14.0°
C3C4C5C6179.8°176.6°
H3C3C4C5179.5°174.7°
H3C3C4H40.5°3.5°
C4C5N1C6179.5°163.5°
C4C5N1RU180.0°113.9°
C4C5C6N2179.7°56.9°
C4C5C6C70.9°120.2°
H4C4C5N1179.2°174.7°
H4C4C5C60.2°12.2°
C5N1RUN391.2°104.3°
C5N1RUN587.3°80.5°
N1C5C6N20.8°106.9°
N1C5C6C7179.6°76.1°
C5N1RUN20.2°13.2°
C5N1RUN4170.7°171.4°
C6C5N1RU0.6°49.6°
C5C6N2C7178.8°177.0°
C5C6N2C10180.0°173.1°
C5C6C7C8179.7°177.1°
C5C6C7H70.3°4.1°
C5C6N2RU0.6°64.4°
N1RUN3N513.1°167.9°
N1RUN3N279.7°84.4°
N1RUN3N492.8°71.1°
N1RUN5N280.2°82.8°
N1RUN5N491.3°79.5°
N1RUN2C60.3°25.0°
N1RUN2C10179.5°140.7°
N1RUN3C1186.5°128.2°
N1RUN3C1592.7°50.0°
N1RUN4C1691.9°92.1°
N1RUN4C2086.9°49.3°
N1RUN5C2153.3°96.9°
N1RUN5C23126.9°112.6°
N1RUN2N452.4°54.7°
N3RUN5N266.9°107.9°
N3RUN5N4104.6°89.8°
N3RUN2C692.7°92.5°
N3RUN2C1088.0°23.2°
RUN3C11C15179.2°178.2°
N3RUN4C160.2°30.1°
N3RUN4C20179.1°171.5°
N3RUN5C2166.6°72.4°
N3RUN5C23113.6°78.2°
RUN3C11C12179.2°173.3°
RUN3C11H110.8°1.3°
RUN3C15C14179.3°176.9°
RUN3C15C160.1°8.4°
N3RUN2N440.1°62.8°
N5RUN2C681.2°109.9°
N5RUN2C1098.1°134.4°
N5RUN3C1173.4°63.9°
N5RUN3C15105.8°117.9°
N5RUN4C16173.2°174.4°
N5RUN4C205.6°33.1°
RUN5C21C23179.8°153.1°
RUN5C21N6179.7°152.4°
RUN5C21H210.2°26.7°
RUN5C23C22179.8°157.2°
RUN5C23H230.2°22.1°
N5RUN2N4133.8°139.6°
C6N2C10RU179.2°95.2°
N2C6C7C81.0°0.3°
N2C6C7H7179.1°179.1°
C6N2C10C90.9°6.7°
C6N2C10H10179.1°178.3°
C6N2RUN452.6°29.7°
C10N2C6C71.2°3.9°
N2C10C9C80.5°5.3°
N2C10C9H10180.0°171.5°
N2C10C9H9179.5°174.8°
C10N2RUN4128.1°86.0°
N3C11C12H11180.0°174.6°
N3C11C12C130.2°4.6°
N3C11C12H12179.8°176.4°
C11N3C15C140.0°1.4°
C11N3C15C16179.2°173.3°
C11N3RUN26.9°43.8°
C11N3RUN4179.3°160.7°
N3C15C16N40.3°22.5°
C15N3C11C120.0°4.9°
C15N3C11H11180.0°179.4°
N3C15C14C130.1°2.1°
N3C15C14C16179.2°174.2°
N3C15C14H14180.0°179.6°
N3C15C16C17179.4°153.3°
C15N3RUN2172.4°134.4°
C15N3RUN40.1°21.1°
C16N4C20RU178.8°137.4°
N4C16C15C14179.5°152.1°
N4C16C15C17179.7°175.8°
N4C16C17C180.5°4.1°
N4C16C17H17179.5°177.4°
C16N4C20C190.2°7.4°
C16N4C20H20179.8°179.3°
C16N4RUN240.7°37.0°
C20N4C16C15179.3°177.2°
C20N4C16C170.5°7.0°
N4C20C19C180.0°4.8°
N4C20C19H20180.0°173.3°
N4C20C19H19179.9°176.5°
C20N4RUN2138.2°104.4°
N5C21N6H21180.0°179.1°
N5C21N6C220.3°0.6°
N5C21N6HN6179.7°179.8°
C21N5C23C220.4°0.7°
C21N5C23H23179.7°179.9°
C21N5RUN2133.4°179.7°
C21N5RUN438.1°17.4°
C23N5C21N60.4°0.8°
N5C23C22N60.2°0.4°
C23N5C21H21179.6°179.9°
N5C23C22H23180.0°179.3°
N5C23C22H22179.8°179.7°
C23N5RUN246.8°29.8°
C23N5RUN4141.8°167.9°
C21N6C22HN6180.0°179.7°
C21N6C22C230.1°0.1°
C21N6C22H22179.9°179.8°
C22N6C21H21179.7°179.7°
N6C22C23H22180.0°179.9°
N6C22C23H23179.8°179.7°
HN6N6C21H210.3°0.7°
HN6N6C22C23179.9°179.8°
HN6N6C22H220.1°0.1°
C6C7C8H7180.0°178.8°
C6C7C8C90.5°1.8°
C6C7C8H8179.5°178.9°
C7C6N2RU179.5°118.6°
C7C8C9H8180.0°179.3°
C7C8C9C100.3°0.8°
C7C8C9H9179.7°179.3°
H7C7C8C9179.5°179.4°
H7C7C8H80.5°0.1°
C8C9C10H9180.0°179.9°
C8C9C10H10179.5°176.8°
H8C8C9C10179.7°178.5°
H8C8C9H90.2°1.4°
C9C10N2RU179.8°88.5°
H9C9C10H100.5°3.3°
H10C10N2RU0.2°83.1°
C11C12C13H12180.0°179.0°
C11C12C13C140.3°0.8°
C11C12C13H13179.7°178.9°
H11C11C12C13179.9°179.2°
H11C11C12H120.2°1.9°
C12C13C14H13180.0°179.7°
C12C13C14C150.2°2.3°
C12C13C14H14179.8°179.9°
H12C12C13C14179.7°179.8°
H12C12C13H130.3°0.1°
C13C14C15H14180.0°177.5°
C13C14C15C16179.2°176.3°
H13C13C14C15179.8°178.0°
H13C13C14H140.2°0.5°
C14C15C16C170.2°32.1°
H14C14C15C160.8°6.2°
C15C16C17C18179.2°179.7°
C15C16C17H170.8°1.8°
C15C16N4RU0.4°36.3°
C16C17C18H17180.0°178.5°
C16C17C18C190.3°1.3°
C16C17C18H18179.8°178.9°
C17C16N4RU179.4°139.5°
C17C18C19H18180.0°179.9°
C17C18C19C200.0°1.5°
C17C18C19H19180.0°179.8°
H17C17C18C19179.7°179.7°
H17C17C18H180.2°0.4°
C18C19C20H19180.0°178.6°
C18C19C20H20179.9°178.1°
H18C18C19C20180.0°178.6°
H18C18C19H190.1°0.0°
C19C20N4RU179.0°130.0°
H19C19C20H200.1°3.2°
H20C20N4RU1.1°43.3°
H22C22C23H230.2°0.4°

258222

PDB entries from 2026-08-19

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