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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N01C06doub1.32Å1.34ÅAromatic
N01C02sing1.32Å1.34ÅAromatic
N02C02sing1.39Å1.35Å
C02C03doub1.39Å1.40ÅAromatic
N02HN02sing0.97Å1.00Å
N02HN0Asing0.97Å1.00Å
C03C04sing1.38Å1.39ÅAromatic
C03H03sing1.08Å1.08Å
C05C04doub1.39Å1.40ÅAromatic
C04C07sing1.51Å1.51Å
C06C05sing1.38Å1.40ÅAromatic
C05H05sing1.08Å1.08Å
C08C06sing1.51Å1.52Å
C07H07sing1.09Å1.10Å
C07H07Asing1.09Å1.10Å
C07H07Bsing1.09Å1.10Å
C08C09sing1.53Å1.51Å
C08H08sing1.09Å1.10Å
C08H08Asing1.09Å1.10Å
C13C09sing1.51Å1.51Å
C09H09sing1.09Å1.10Å
C09H09Asing1.09Å1.10Å
C16N11doub1.32Å1.33ÅAromatic
N11C12sing1.32Å1.34ÅAromatic
C12C13doub1.38Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C14C13sing1.39Å1.39ÅAromatic
C15C14doub1.39Å1.40ÅAromatic
C14H14sing1.08Å1.08Å
C17C15sing1.51Å1.51Å
C16C15sing1.38Å1.40ÅAromatic
C16H16sing1.08Å1.08Å
C17C18sing1.53Å1.52Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C26C18sing1.51Å1.50Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C22C21doub1.39Å1.39ÅAromatic
C26C21sing1.38Å1.40ÅAromatic
C21H21sing1.08Å1.08Å
N23C22sing1.32Å1.36ÅAromatic
C22N22sing1.39Å1.37Å
N22HN22sing0.97Å1.00Å
N22HN2Asing0.97Å1.00Å
C24N23doub1.32Å1.38ÅAromatic
C27C24sing1.51Å1.50Å
C24C25sing1.38Å1.38ÅAromatic
C25C26doub1.39Å1.38ÅAromatic
C25H25sing1.08Å1.08Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C27H27Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C06N01C02122.3°121.6°
N01C06C05119.2°120.8°
N01C06C08117.0°119.6°
N01C02N02116.8°119.7°
N01C02C03121.1°120.6°
N02C02C03122.1°119.7°
C02N02HN02109.5°120.0°
C02N02HN0A109.4°120.0°
C02C03C04118.0°119.1°
C02C03H03121.0°120.5°
HN02N02HN0A109.5°120.0°
C04C03H03121.0°120.5°
C03C04C05119.7°118.5°
C03C04C07120.5°120.7°
C05C04C07119.8°120.7°
C04C05C06119.8°119.3°
C04C05H05120.1°120.3°
C04C07H07109.5°109.5°
C04C07H07A109.5°109.5°
C04C07H07B109.5°109.5°
C06C05H05120.1°120.3°
C05C06C08123.9°119.6°
C06C08C09112.7°109.5°
C06C08H08108.4°109.5°
C06C08H08A108.4°109.5°
H07C07H07A109.5°109.4°
H07C07H07B109.5°109.5°
H07AC07H07B109.5°109.4°
C09C08H08108.4°109.5°
C09C08H08A108.4°109.4°
C08C09C13111.3°109.5°
C08C09H09108.9°109.5°
C08C09H09A108.9°109.4°
H08C08H08A110.5°109.5°
C13C09H09108.9°109.5°
C13C09H09A108.9°109.5°
C09C13C12119.6°120.4°
C09C13C14121.3°120.4°
H09C09H09A110.0°109.4°
C16N11C12120.9°121.7°
N11C16C15120.0°120.8°
N11C16H16120.0°119.7°
N11C12C13121.7°120.8°
N11C12H12119.2°119.6°
C13C12H12119.1°119.7°
C12C13C14119.0°119.1°
C13C14C15117.8°118.4°
C13C14H14121.1°120.7°
C15C14H14121.1°120.8°
C14C15C17120.7°120.4°
C14C15C16120.6°119.1°
C17C15C16118.7°120.5°
C15C17C18107.5°109.5°
C15C17H17110.2°109.5°
C15C17H17A110.2°109.5°
C15C16H16120.0°119.6°
C18C17H17110.1°109.5°
C18C17H17A110.1°109.5°
C17C18C26107.9°109.5°
C17C18H18110.0°109.5°
C17C18H18A110.0°109.5°
H17C17H17A108.8°109.5°
C26C18H18110.0°109.5°
C26C18H18A110.0°109.5°
C18C26C21120.6°120.7°
C18C26C25119.2°120.8°
H18C18H18A109.0°109.4°
C22C21C26120.9°119.1°
C22C21H21119.6°120.5°
C21C22N23118.0°120.6°
C21C22N22119.6°119.7°
C26C21H21119.6°120.5°
C21C26C25120.2°118.5°
N23C22N22122.5°119.7°
C22N23C24121.7°121.6°
C22N22HN22109.5°120.0°
C22N22HN2A109.5°120.0°
HN22N22HN2A109.5°120.0°
N23C24C27121.4°119.6°
N23C24C25121.1°120.8°
C27C24C25117.5°119.6°
C24C27H27109.5°109.5°
C24C27H27A109.4°109.5°
C24C27H27B109.4°109.5°
C24C25C26118.2°119.3°
C24C25H25120.9°120.4°
C26C25H25120.9°120.3°
H27C27H27A109.5°109.5°
H27C27H27B109.5°109.4°
H27AC27H27B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C06N01C02N02179.6°180.0°
C06N01C02C030.4°0.1°
N01C06C05C040.1°0.0°
N01C06C05C08179.9°180.0°
N01C06C05H05179.9°180.0°
N01C06C08C09153.0°55.0°
N01C06C08H0833.0°65.0°
N01C06C08H08A87.0°174.9°
N01C02N02C03179.2°179.9°
N01C02N02HN020.0°0.1°
N01C02N02HN0A120.0°180.0°
N01C02C03C040.7°0.1°
N01C02C03H03179.3°180.0°
C02N01C06C050.1°0.1°
C02N01C06C08179.9°180.0°
C02N02HN02HN0A120.0°179.9°
N02C02C03C04179.9°180.0°
N02C02C03H030.1°0.1°
C03C02N02HN02179.2°180.0°
C03C02N02HN0A60.8°0.1°
C02C03C04H03180.0°179.9°
C02C03C04C050.7°0.0°
C02C03C04C07179.1°180.0°
C03C04C05C07179.8°180.0°
C03C04C05C060.4°0.0°
C03C04C05H05179.6°180.0°
C03C04C07H0789.9°90.0°
C03C04C07H07A150.1°150.0°
C03C04C07H07B30.1°30.0°
H03C03C04C05179.3°180.0°
H03C03C04C070.9°0.0°
C04C05C06H05180.0°180.0°
C04C05C06C08179.9°180.0°
C05C04C07H0789.9°90.0°
C05C04C07H07A30.1°30.0°
C05C04C07H07B150.1°149.9°
C07C04C05C06179.4°180.0°
C07C04C05H050.6°0.0°
C04C07H07H07A120.0°120.0°
C04C07H07H07B120.0°120.0°
C04C07H07AH07B120.0°120.0°
C05C06C08C0927.0°125.0°
C05C06C08H08147.0°115.0°
C05C06C08H08A92.9°5.0°
H05C05C06C080.1°0.0°
C06C08C09H08120.0°120.0°
C06C08C09H08A120.0°120.0°
C06C08H08H08A118.7°120.0°
C06C08C09C13177.5°NaN°
C06C08C09H0962.5°59.9°
C06C08C09H09A57.5°60.0°
H07C07H07AH07B120.0°120.0°
C09C08H08H08A118.7°119.9°
C08C09C13H09120.0°120.1°
C08C09C13H09A120.0°119.9°
C08C09H09H09A119.3°119.9°
C08C09C13C1281.3°90.0°
C08C09C13C14100.3°90.0°
H08C08C09C1357.5°60.0°
H08C08C09H09177.5°180.0°
H08C08C09H09A62.5°60.0°
H08AC08C09C1362.5°60.0°
H08AC08C09H0957.5°60.1°
H08AC08C09H09A177.4°180.0°
C13C09H09H09A119.3°120.0°
C09C13C12N11179.2°180.0°
C09C13C12C14178.5°180.0°
C09C13C12H120.8°0.0°
C09C13C14C15179.2°180.0°
C09C13C14H140.8°0.0°
H09C09C13C12158.7°30.0°
H09C09C13C1419.7°150.0°
H09AC09C13C1238.7°150.0°
H09AC09C13C14139.7°30.0°
C16N11C12C130.3°0.0°
C16N11C12H12179.7°179.9°
N11C16C15C140.0°0.1°
N11C16C15C17179.7°180.0°
N11C16C15H16180.0°179.9°
N11C12C13H12180.0°180.0°
N11C12C13C140.7°0.0°
C12N11C16C150.1°0.1°
C12N11C16H16179.9°180.0°
C12C13C14C150.8°0.0°
C12C13C14H14179.2°180.0°
H12C12C13C14179.3°180.0°
C13C14C15H14180.0°180.0°
C13C14C15C17179.2°180.0°
C13C14C15C160.4°0.0°
C14C15C17C16179.7°179.9°
C14C15C16H16180.0°180.0°
C14C15C17C18105.0°90.0°
C14C15C17H17135.0°150.0°
C14C15C17H17A15.0°30.0°
H14C14C15C170.8°0.0°
H14C14C15C16179.6°180.0°
C17C15C16H160.3°0.1°
C15C17C18H17120.0°120.0°
C15C17C18H17A120.0°120.0°
C15C17H17H17A120.8°120.0°
C15C17C18C26174.7°180.0°
C15C17C18H1854.7°60.0°
C15C17C18H18A65.3°60.0°
C16C15C17C1875.4°90.0°
C16C15C17H1744.6°29.9°
C16C15C17H17A164.6°150.0°
C18C17H17H17A120.8°120.0°
C17C18C26H18120.0°120.0°
C17C18C26H18A120.0°120.0°
C17C18H18H18A120.6°120.0°
C17C18C26C2157.5°90.5°
C17C18C26C25122.3°90.0°
H17C17C18C2665.2°60.0°
H17C17C18H18174.7°180.0°
H17C17C18H18A54.7°60.0°
H17AC17C18C2654.7°60.0°
H17AC17C18H1865.3°60.0°
H17AC17C18H18A174.7°180.0°
C26C18H18H18A120.6°120.0°
C18C26C21C22179.8°180.0°
C18C26C21C25179.9°179.5°
C18C26C21H210.2°0.3°
C18C26C25C24179.8°180.0°
C18C26C25H250.2°0.2°
H18C18C26C2162.5°149.4°
H18C18C26C25117.6°30.0°
H18AC18C26C21177.5°29.5°
H18AC18C26C252.4°150.0°
C22C21C26H21180.0°179.7°
C21C22N23N22179.6°180.0°
C21C22N22HN22179.6°0.0°
C21C22N22HN2A60.4°180.0°
C21C22N23C240.0°0.1°
C22C21C26C250.3°0.5°
C26C21C22N230.1°0.2°
C26C21C22N22179.5°179.8°
C21C26C25C240.3°0.5°
C21C26C25H25179.6°179.7°
H21C21C22N23179.9°179.9°
H21C21C22N220.5°0.1°
H21C21C26C25179.7°179.8°
N23C22N22HN220.0°180.0°
N23C22N22HN2A120.0°0.0°
C22N23C24C27179.8°180.0°
C22N23C24C250.0°0.1°
C22N22HN22HN2A120.0°180.0°
N22C22N23C24179.6°179.9°
N23C24C27C25179.8°180.0°
N23C24C25C260.2°0.2°
N23C24C25H25179.8°180.0°
N23C24C27H270.0°89.9°
N23C24C27H27A120.0°150.0°
N23C24C27H27B120.0°30.0°
C27C24C25C26179.6°179.7°
C27C24C25H250.4°0.1°
C24C27H27H27A120.0°120.0°
C24C27H27H27B120.0°120.0°
C24C27H27AH27B120.0°120.0°
C24C25C26H25180.0°179.8°
C25C24C27H27179.8°90.0°
C25C24C27H27A59.8°30.0°
C25C24C27H27B60.2°150.0°
H27C27H27AH27B120.0°120.0°

224004

PDB entries from 2024-08-21

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