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LJ9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02sing1.53Å1.52Å
C01H01sing1.09Å1.10Å
C01H01Asing1.09Å1.10Å
C01H01Bsing1.09Å1.10Å
C02C03sing1.51Å1.48Å
C02H02sing1.09Å1.10Å
C02H02Asing1.09Å1.10Å
C03C11sing1.46Å1.45ÅAromatic
C03N04doub1.30Å1.34ÅAromatic
N04N05sing1.40Å1.38ÅAromatic
N05C06sing1.37Å1.40ÅAromatic
N05C20sing1.40Å1.45ÅAromatic
C11C06doub1.41Å1.42ÅAromatic
C06C07sing1.39Å1.40ÅAromatic
C08C07doub1.38Å1.39ÅAromatic
C07H07sing1.08Å1.08Å
C09C08sing1.40Å1.43ÅAromatic
C08N12sing1.40Å1.45Å
C10C09doub1.36Å1.38ÅAromatic
C09H09sing1.08Å1.08Å
C10C11sing1.40Å1.38ÅAromatic
C10H10sing1.08Å1.08Å
C13N12sing1.49Å1.50Å
N12C19sing1.48Å1.50Å
C13C14sing1.54Å1.55Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C14C18sing1.55Å1.54Å
C14C15sing1.54Å1.54Å
C14H14sing1.09Å1.10Å
C15N16sing1.48Å1.48Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C17N16sing1.49Å1.48Å
N16HN16sing1.01Å1.00Å
C18C17sing1.54Å1.54Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C19C18sing1.54Å1.54Å
C18H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C21C20doub1.39Å1.39ÅAromatic
C20C25sing1.39Å1.39ÅAromatic
C21C22sing1.38Å1.39ÅAromatic
C21H21sing1.08Å1.08Å
C22C23doub1.38Å1.39ÅAromatic
C22H22sing1.08Å1.08Å
C23C24sing1.38Å1.39ÅAromatic
C23H23sing1.08Å1.08Å
C25C24doub1.38Å1.39ÅAromatic
C24H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C02C01H01109.5°109.4°
C02C01H01A109.5°109.5°
C02C01H01B109.5°109.4°
C01C02C03111.1°109.5°
C01C02H02108.9°109.5°
C01C02H02A108.9°109.5°
H01C01H01A109.4°109.5°
H01C01H01B109.5°109.5°
H01AC01H01B109.5°109.5°
C03C02H02108.9°109.4°
C03C02H02A108.9°109.5°
C02C03C11122.0°126.1°
C02C03N04126.3°126.1°
H02C02H02A110.0°109.5°
C11C03N04111.4°107.8°
C03C11C06104.6°106.3°
C03C11C10135.1°133.9°
C03N04N05106.3°110.1°
N04N05C06111.8°109.0°
N04N05C20123.0°125.5°
C06N05C20124.7°125.5°
N05C06C11105.7°106.7°
N05C06C07133.1°133.7°
N05C20C21118.6°120.0°
N05C20C25120.7°120.1°
C11C06C07121.2°119.5°
C06C11C10120.3°119.9°
C06C07C08117.7°119.7°
C06C07H07121.2°120.2°
C08C07H07121.2°120.1°
C07C08C09120.9°120.5°
C07C08N12117.0°119.8°
C09C08N12122.0°119.8°
C08C09C10120.8°120.6°
C08C09H09119.6°119.8°
C08N12C13125.1°111.0°
C08N12C19115.1°111.0°
C10C09H09119.6°119.7°
C09C10C11119.3°119.9°
C09C10H10120.4°120.1°
C11C10H10120.4°120.1°
C13N12C19110.7°104.2°
N12C13C14104.9°104.7°
N12C13H13111.0°110.4°
N12C13H13A111.0°110.4°
N12C19C18107.3°104.7°
N12C19H19110.2°110.4°
N12C19H19A110.2°110.4°
C14C13H13111.0°110.4°
C14C13H13A111.1°110.4°
C13C14C18107.4°104.8°
C13C14C15114.8°108.8°
C13C14H14106.1°112.4°
H13C13H13A107.8°110.4°
C18C14C15105.6°104.9°
C18C14H14115.3°112.6°
C14C18C17105.2°104.8°
C14C18C19106.0°104.9°
C14C18H18115.5°112.5°
C15C14H14107.9°112.8°
C14C15N16106.3°104.7°
C14C15H15110.6°110.4°
C14C15H15A110.5°110.4°
N16C15H15110.5°110.4°
N16C15H15A110.5°110.4°
C15N16C17107.2°104.2°
C15N16HN16110.3°111.0°
H15C15H15A108.4°110.5°
C17N16HN16110.2°111.0°
N16C17C18104.3°104.7°
N16C17H17111.2°110.4°
N16C17H17A111.2°110.4°
C18C17H17111.2°110.4°
C18C17H17A111.2°110.5°
C17C18C19112.6°108.8°
C17C18H18109.2°112.4°
H17C17H17A107.7°110.3°
C19C18H18108.5°112.9°
C18C19H19110.2°110.4°
C18C19H19A110.2°110.3°
H19C19H19A108.7°110.5°
C21C20C25120.5°119.9°
C20C21C22119.3°119.9°
C20C21H21120.3°120.1°
C20C25C24119.4°119.9°
C20C25H25120.3°120.0°
C22C21H21120.4°120.0°
C21C22C23120.7°120.1°
C21C22H22119.7°119.9°
C23C22H22119.6°120.0°
C22C23C24119.5°120.2°
C22C23H23120.2°119.9°
C24C23H23120.3°119.9°
C23C24C25120.7°120.1°
C23C24H24119.7°119.9°
C25C24H24119.7°120.0°
C24C25H25120.3°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C02C01H01H01A120.0°120.0°
C02C01H01H01B120.0°119.9°
C02C01H01AH01B120.0°120.0°
C01C02C03H02120.0°120.0°
C01C02C03H02A120.0°120.0°
C01C02H02H02A119.3°120.0°
C01C02C03C11111.5°90.0°
C01C02C03N0461.0°89.8°
H01C01H01AH01B120.0°120.1°
H01C01C02C03180.0°60.0°
H01C01C02H0260.0°179.9°
H01C01C02H02A60.0°60.0°
H01AC01C02C0360.0°180.0°
H01AC01C02H0260.0°60.0°
H01AC01C02H02A180.0°60.0°
H01BC01C02C0360.0°60.0°
H01BC01C02H02180.0°60.0°
H01BC01C02H02A60.0°180.0°
C03C02H02H02A119.3°120.0°
C02C03C11N04173.6°179.8°
C02C03N04N05175.9°180.0°
C02C03C11C06173.8°179.9°
C02C03C11C105.7°0.6°
H02C02C03C11128.5°29.9°
H02C02C03N0459.0°150.3°
H02AC02C03C118.5°150.0°
H02AC02C03N04179.0°30.2°
C11C03N04N052.7°0.2°
C03C11C06N052.2°0.3°
C03C11C06C10179.6°179.4°
C03C11C06C07179.7°179.9°
C03C11C10C09180.0°179.7°
C03C11C10H100.0°0.6°
C03N04N05C064.2°0.0°
C03N04N05C20176.4°180.0°
N04C03C11C060.3°0.3°
N04C03C11C10179.2°179.5°
N04N05C06C20172.0°180.0°
N04N05C06C114.0°0.2°
N04N05C06C07178.8°180.0°
N04N05C20C2143.9°145.3°
N04N05C20C25140.9°35.0°
N05C06C11C07177.5°179.8°
N05C06C07C08177.0°180.0°
N05C06C07H073.0°0.0°
N05C06C11C10178.2°179.7°
C06N05C20C21127.3°34.7°
C06N05C20C2547.9°145.0°
C20N05C06C11176.0°179.8°
C20N05C06C076.8°0.0°
N05C20C21C25175.2°179.7°
N05C20C21C22176.1°180.0°
N05C20C21H213.9°0.0°
N05C20C25C24176.2°179.7°
N05C20C25H253.8°0.1°
C11C06C07C080.2°0.3°
C11C06C07H07179.7°179.8°
C06C11C10C090.5°0.5°
C06C11C10H10179.5°179.7°
C06C07C08H07180.0°179.9°
C06C07C08C090.3°0.1°
C06C07C08N12177.9°180.0°
C07C06C11C100.7°0.5°
C07C08C09N12177.4°179.9°
C07C08C09C100.5°0.1°
C07C08C09H09179.5°180.0°
C07C08N12C13162.6°148.3°
C07C08N12C1918.8°32.9°
H07C07C08C09179.7°180.0°
H07C07C08N122.1°0.1°
C08C09C10H09180.0°179.9°
C08C09C10C110.1°0.3°
C08C09C10H10179.9°180.0°
C09C08N12C1314.9°31.8°
C09C08N12C19158.7°147.2°
N12C08C09C10177.9°180.0°
N12C08C09H092.1°0.0°
C08N12C13C19145.1°119.6°
C08N12C13C14161.3°159.2°
C08N12C13H1378.8°81.9°
C08N12C13H13A41.2°40.5°
C08N12C19C18154.9°159.2°
C08N12C19H1934.9°40.4°
C08N12C19H19A85.1°82.0°
C09C10C11H10180.0°179.7°
H09C09C10C11180.0°179.7°
H09C09C10H100.0°0.0°
N12C13C14H13120.0°118.9°
N12C13C14H13A120.0°118.8°
N12C13H13H13A121.9°122.3°
N12C13C14C1820.0°23.9°
N12C13C14C1597.1°87.8°
N12C13C14H14143.7°146.5°
C13N12C19C186.1°39.7°
C13N12C19H19114.0°79.1°
C13N12C19H19A126.1°158.5°
C19N12C13C1416.1°39.7°
C19N12C13H13136.1°158.5°
C19N12C13H13A103.9°79.1°
N12C19C18C146.6°24.0°
N12C19C18C17121.1°87.8°
N12C19C18H19120.0°118.8°
N12C19C18H19A120.0°118.8°
N12C19C18H18117.9°146.8°
N12C19H19H19A120.9°122.4°
C14C13H13H13A121.9°122.3°
C13C14C18C15123.0°114.5°
C13C14C18H14118.0°122.4°
C13C14C15H14118.1°125.4°
C13C14C15N16110.4°135.7°
C13C14C15H159.6°16.9°
C13C14C15H15A129.6°105.5°
C13C14C18C17135.9°114.5°
C13C14C18C1916.5°0.0°
C13C14C18H18103.6°123.0°
H13C13C14C18140.0°142.8°
H13C13C14C1522.9°31.0°
H13C13C14H1496.3°94.6°
H13AC13C14C18100.1°94.9°
H13AC13C14C15142.9°153.4°
H13AC13C14H1423.7°27.7°
C18C14C15H14123.8°122.9°
C18C14C15N167.7°24.0°
C18C14C15H15127.7°94.8°
C18C14C15H15A112.3°142.8°
C14C18C17N1629.0°24.0°
C14C18C17C19114.9°111.8°
C14C18C17H18124.5°122.5°
C14C18C17H17149.0°94.9°
C14C18C17H17A91.0°142.8°
C14C18C19H18124.6°122.8°
C14C18C19H19126.7°94.9°
C14C18C19H19A113.4°142.8°
C14C15N16H15120.0°118.8°
C14C15N16H15A120.0°118.8°
C14C15H15H15A121.3°122.4°
C14C15N16C1726.6°39.7°
C14C15N16HN1693.4°159.3°
C15C14C18C1713.0°0.0°
C15C14C18C19106.4°114.5°
C15C14C18H18133.5°122.4°
H14C14C15N16131.5°98.9°
H14C14C15H15108.5°142.3°
H14C14C15H15A11.5°19.9°
H14C14C18C17106.0°123.0°
H14C14C18C19134.5°122.4°
H14C14C18H1814.4°0.6°
N16C15H15H15A121.3°122.3°
C15N16C17HN16120.0°119.5°
C15N16C17C1834.8°39.8°
C15N16C17H17154.8°79.1°
C15N16C17H17A85.2°158.7°
H15C15N16C17146.7°79.1°
H15C15N16HN1626.7°40.4°
H15AC15N16C1793.3°158.5°
H15AC15N16HN16146.7°82.0°
N16C17C18H17120.0°118.8°
N16C17C18H17A120.0°118.9°
N16C17H17H17A122.1°122.2°
N16C17C18C1985.9°135.7°
N16C17C18H18153.5°98.5°
HN16N16C17C1885.2°159.3°
HN16N16C17H1734.8°40.4°
HN16N16C17H17A154.7°81.8°
C18C17H17H17A122.1°122.4°
C17C18C19H18121.0°125.5°
C17C18C19H19118.9°153.4°
C17C18C19H19A1.1°31.0°
H17C17C18C1934.1°16.9°
H17C17C18H1886.4°142.6°
H17AC17C18C19154.1°105.4°
H17AC17C18H1833.5°20.3°
C18C19H19H19A120.9°122.3°
H18C18C19H192.1°27.9°
H18C18C19H19A122.1°94.4°
C20C21C22H21180.0°180.0°
C20C21C22C230.1°0.0°
C20C21C22H22179.8°180.0°
C21C20C25C241.1°0.6°
C21C20C25H25178.9°179.7°
C25C20C21C220.9°0.3°
C25C20C21H21179.1°179.7°
C20C25C24C230.6°0.6°
C20C25C24H25180.0°179.6°
C20C25C24H24179.4°179.7°
C21C22C23H22180.0°180.0°
C21C22C23C240.4°0.0°
C21C22C23H23179.6°180.0°
H21C21C22C23179.9°180.0°
H21C21C22H220.1°0.0°
C22C23C24H23180.0°180.0°
C22C23C24C250.2°0.3°
C22C23C24H24179.8°180.0°
H22C22C23C24179.6°180.0°
H22C22C23H230.4°0.1°
C23C24C25H24180.0°179.8°
C23C24C25H25179.5°179.8°
H23C23C24C25179.8°179.8°
H23C23C24H240.1°0.0°
H24C24C25H250.6°0.0°

226414

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