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Obsolete: XPP

XPP was replaced with HP2 on
Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C6sing1.41Å0.00Å
N1C5sing1.35Å0.00Å
N1HN1sing0.97Å1.02Å
C1C6sing1.41Å0.00ÅAromatic
C1C10doub1.38Å0.00ÅAromatic
C1O6sing1.36Å0.00Å
C8N3sing1.36Å0.00ÅAromatic
C8C6doub1.36Å0.00ÅAromatic
C8H8sing1.08Å1.10Å
N3C9sing1.47Å0.00Å
N3C10sing1.38Å0.00ÅAromatic
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.11Å
C9H93sing1.09Å1.11Å
C10C11sing1.42Å0.00Å
C11O2doub1.22Å0.00Å
C11N4sing1.35Å0.00Å
N4C12sing1.41Å0.00Å
N4HN4sing0.97Å1.02Å
C12C13sing1.40Å0.00ÅAromatic
C12C14doub1.36Å0.00ÅAromatic
C13C16doub1.38Å0.00ÅAromatic
C13H13sing1.08Å1.10Å
C14N5sing1.36Å0.00ÅAromatic
C14H14sing1.08Å1.10Å
N5C15sing1.47Å0.00Å
N5C16sing1.38Å0.00ÅAromatic
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.11Å
C15H153sing1.09Å1.11Å
C16C23sing1.47Å0.00Å
C23O3doub1.22Å0.00Å
C23N11sing1.35Å0.00Å
N7C21sing1.47Å0.00Å
N7C22sing1.47Å0.00Å
N7C20sing1.47Å0.00Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.11Å
C21H213sing1.09Å1.11Å
C22H221sing1.09Å1.11Å
C22H222sing1.09Å1.11Å
C22H223sing1.09Å1.11Å
C20C19sing1.53Å0.00Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.11Å
C18C19sing1.53Å0.00Å
C18N6sing1.47Å0.00Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.11Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.11Å
N6C31sing1.35Å0.00Å
N6HN6sing0.97Å1.02Å
C3Nsing1.46Å0.00Å
C3H31sing1.09Å1.11Å
C3H32Asing1.09Å1.11Å
C3H33sing1.09Å1.11Å
NC2sing1.36Å0.00ÅAromatic
NC4sing1.38Å0.00ÅAromatic
C2Cdoub1.36Å0.00ÅAromatic
C2H2sing1.08Å1.10Å
N8Csing1.41Å0.00Å
N8C24sing1.35Å0.00Å
N8HN8sing0.97Å1.02Å
CC32sing1.40Å0.00ÅAromatic
C32C4doub1.38Å0.00ÅAromatic
C32H32sing1.08Å1.10Å
C4C5sing1.47Å0.00Å
C5O1doub1.22Å0.00Å
C28N9sing1.46Å0.00Å
C28H281sing1.09Å1.11Å
C28H282sing1.09Å1.11Å
C28H283sing1.09Å1.11Å
N9C27sing1.36Å0.00ÅAromatic
N9C25sing1.37Å0.00ÅAromatic
C27C26doub1.36Å0.00ÅAromatic
C27H27sing1.08Å1.10Å
C26N10sing1.33Å0.00ÅAromatic
C26H26sing1.08Å1.10Å
N10C25doub1.32Å0.00ÅAromatic
C25C24sing1.47Å0.00Å
C24O4doub1.22Å0.00Å
O5C31doub1.21Å0.00Å
C31C30sing1.51Å0.00Å
C30C29sing1.53Å0.00Å
C30H301sing1.09Å1.11Å
C30H302sing1.09Å1.11Å
C29N11sing1.47Å0.00Å
C29H291sing1.09Å1.11Å
C29H292sing1.09Å1.11Å
N11HN11sing0.97Å1.02Å
O6HO6sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6N1C590.0°120.0°
C6N1HN190.0°120.0°
N1C6C190.0°126.1°
N1C6C890.0°126.1°
C5N1HN190.0°120.0°
N1C5C490.0°120.0°
N1C5O190.0°120.0°
C6C1C1090.0°107.0°
C6C1O690.0°126.5°
C1C6C890.0°107.8°
C10C1O690.0°126.5°
C1C10N390.0°107.5°
C1C10C1190.0°126.3°
C1O6HO690.0°106.8°
N3C8C690.0°109.0°
N3C8H890.0°125.5°
C8N3C990.0°125.6°
C8N3C1090.0°108.7°
C6C8H890.0°125.5°
C9N3C1090.0°125.7°
N3C9H9190.0°109.5°
N3C9H9290.0°109.5°
N3C9H9390.0°109.5°
N3C10C1190.0°126.2°
H91C9H92180.0°109.4°
H91C9H930.0°109.5°
H92C9H93180.0°109.5°
C10C11O290.0°120.0°
C10C11N490.0°120.0°
O2C11N490.0°120.0°
C11N4C1290.0°120.0°
C11N4HN490.0°120.0°
C12N4HN490.0°120.0°
N4C12C1390.0°126.1°
N4C12C1490.0°126.1°
C13C12C1490.0°107.7°
C12C13C1690.0°107.1°
C12C13H1390.0°126.4°
C12C14N590.0°108.8°
C12C14H1490.0°125.6°
C16C13H1390.0°126.5°
C13C16N590.0°107.7°
C13C16C2390.0°126.1°
N5C14H1490.0°125.6°
C14N5C1590.0°125.6°
C14N5C1690.0°108.7°
C15N5C1690.0°125.7°
N5C15H15190.0°109.5°
N5C15H15290.0°109.4°
N5C15H15390.0°109.5°
N5C16C2390.0°126.2°
H151C15H152180.0°109.5°
H151C15H1530.0°109.5°
H152C15H153180.0°109.4°
C16C23O390.0°120.0°
C16C23N1190.0°120.0°
O3C23N1190.0°120.0°
C23N11C2990.0°120.0°
C23N11HN1190.0°120.0°
C21N7C2290.0°106.7°
C21N7C2090.0°106.7°
N7C21H21190.0°109.5°
N7C21H21290.0°109.4°
N7C21H21390.0°109.4°
C22N7C2090.0°106.7°
N7C22H22190.0°109.5°
N7C22H22290.0°109.5°
N7C22H22390.0°109.4°
N7C20C1990.0°109.5°
N7C20H20190.0°109.5°
N7C20H20290.0°109.5°
H211C21H212180.0°109.4°
H211C21H2130.0°109.5°
H212C21H213180.0°109.5°
H221C22H222180.0°109.5°
H221C22H2230.0°109.5°
H222C22H223180.0°109.5°
C19C20H20190.0°109.4°
C19C20H20290.0°109.5°
C20C19C1890.0°109.5°
C20C19H19190.0°109.4°
C20C19H19290.0°109.5°
H201C20H2020.0°109.5°
C19C18N690.0°109.5°
C19C18H18190.0°109.5°
C19C18H18290.0°109.5°
C18C19H19190.0°109.5°
C18C19H19290.0°109.5°
N6C18H18190.0°109.5°
N6C18H18290.0°109.4°
C18N6C3190.0°120.0°
C18N6HN690.0°120.0°
H181C18H1820.0°109.4°
H191C19H1920.0°109.5°
C31N6HN690.0°120.0°
N6C31O590.0°120.0°
N6C31C3090.0°120.0°
NC3H3190.0°109.5°
NC3H32A90.0°109.4°
NC3H3390.0°109.5°
C3NC290.0°125.6°
C3NC490.0°125.7°
H31C3H32A180.0°109.5°
H31C3H330.0°109.5°
H32AC3H33180.0°109.5°
C2NC490.0°108.7°
NC2C90.0°108.7°
NC2H290.0°125.6°
NC4C3290.0°107.7°
NC4C590.0°126.2°
CC2H290.0°125.6°
C2CN890.0°126.1°
C2CC3290.0°107.7°
CN8C2490.0°120.0°
CN8HN890.0°120.0°
N8CC3290.0°126.1°
C24N8HN890.0°120.0°
N8C24C2590.0°120.0°
N8C24O490.0°120.0°
CC32C490.0°107.1°
CC32H3290.0°126.5°
C4C32H3290.0°126.4°
C32C4C590.0°126.1°
C4C5O190.0°120.0°
N9C28H28190.0°109.5°
N9C28H28290.0°109.4°
N9C28H28390.0°109.5°
C28N9C2790.0°126.5°
C28N9C2590.0°126.5°
H281C28H282180.0°109.5°
H281C28H2830.0°109.5°
H282C28H283180.0°109.5°
C27N9C2590.0°107.0°
N9C27C2690.0°107.0°
N9C27H2790.0°126.4°
N9C25N1090.0°108.3°
N9C25C2490.0°125.8°
C26C27H2790.0°126.5°
C27C26N1090.0°108.4°
C27C26H2690.0°125.8°
N10C26H2690.0°125.8°
C26N10C2590.0°109.2°
N10C25C2490.0°125.9°
C25C24O490.0°120.0°
O5C31C3090.0°120.0°
C31C30C2990.0°109.4°
C31C30H30190.0°109.4°
C31C30H30290.0°109.5°
C29C30H30190.0°109.4°
C29C30H30290.0°109.5°
C30C29N1190.0°109.4°
C30C29H29190.0°109.5°
C30C29H29290.0°109.5°
H301C30H3020.0°109.5°
N11C29H29190.0°109.5°
N11C29H29290.0°109.5°
C29N11HN1190.0°120.0°
H291C29H2920.0°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6N1C5HN190.0°180.0°
N1C6C1C890.0°179.7°
N1C6C1C1090.0°179.9°
N1C6C1O690.0°0.3°
N1C6C8N390.0°180.0°
N1C6C8H890.0°0.1°
C6N1C5C490.0°174.5°
C6N1C5O190.0°5.6°
C5N1C6C190.0°179.7°
C5N1C6C890.0°0.0°
N1C5C4N90.0°175.1°
N1C5C4C3290.0°5.3°
N1C5C4O190.0°179.9°
HN1N1C6C190.0°0.3°
HN1N1C6C890.0°180.0°
HN1N1C5C490.0°5.4°
HN1N1C5O190.0°174.5°
C6C1C10O690.0°179.6°
C1C6C8N390.0°0.3°
C1C6C8H890.0°179.8°
C6C1C10N390.0°0.4°
C6C1C10C1190.0°179.8°
C6C1O6HO690.0°90.0°
C1C10N3C890.0°0.3°
C10C1C6C890.0°0.4°
C1C10N3C990.0°179.7°
C1C10N3C1190.0°179.7°
C1C10C11O290.0°89.9°
C1C10C11N490.0°90.0°
C10C1O6HO690.0°90.5°
O6C1C6C890.0°180.0°
O6C1C10N390.0°180.0°
O6C1C10C1190.0°0.3°
N3C8C6H890.0°180.0°
C8N3C9C1090.0°180.0°
C8N3C9H9190.0°85.0°
C8N3C9H9290.0°35.0°
C8N3C9H9390.0°155.0°
C8N3C10C1190.0°180.0°
C6C8N3C990.0°180.0°
C6C8N3C1090.0°0.0°
H8C8N3C990.0°0.0°
H8C8N3C1090.0°180.0°
N3C9H91H9290.0°120.0°
N3C9H91H9390.0°120.0°
N3C9H92H9390.0°120.0°
C9N3C10C1190.0°0.0°
C10N3C9H9190.0°95.0°
C10N3C9H9290.0°145.0°
C10N3C9H9390.0°25.0°
N3C10C11O290.0°90.4°
N3C10C11N490.0°89.7°
H91C9H92H9390.0°120.0°
C10C11O2N490.0°179.9°
C10C11N4C1290.0°174.6°
C10C11N4HN490.0°5.5°
O2C11N4C1290.0°5.3°
O2C11N4HN490.0°174.6°
C11N4C12HN490.0°179.9°
C11N4C12C1390.0°0.0°
C11N4C12C1490.0°180.0°
N4C12C13C1490.0°180.0°
N4C12C13C1690.0°180.0°
N4C12C13H1390.0°0.0°
N4C12C14N590.0°179.8°
N4C12C14H1490.0°0.0°
HN4N4C12C1390.0°180.0°
HN4N4C12C1490.0°0.0°
C12C13C16H1390.0°179.9°
C13C12C14N590.0°0.2°
C13C12C14H1490.0°180.0°
C12C13C16N590.0°0.2°
C12C13C16C2390.0°180.0°
C14C12C13C1690.0°0.0°
C14C12C13H1390.0°180.0°
C12C14N5H1490.0°179.8°
C12C14N5C1590.0°179.9°
C12C14N5C1690.0°0.4°
C13C16N5C1490.0°0.3°
C13C16N5C1590.0°180.0°
C13C16N5C2390.0°179.8°
C13C16C23O390.0°174.9°
C13C16C23N1190.0°5.1°
H13C13C16N590.0°179.7°
H13C13C16C2390.0°0.0°
C14N5C15C1690.0°179.7°
C14N5C15H15190.0°95.2°
C14N5C15H15290.0°144.8°
C14N5C15H15390.0°24.8°
C14N5C16C2390.0°179.9°
H14C14N5C1590.0°0.2°
H14C14N5C1690.0°179.9°
N5C15H151H15290.0°120.0°
N5C15H151H15390.0°120.1°
N5C15H152H15390.0°120.0°
C15N5C16C2390.0°0.2°
C16N5C15H15190.0°85.1°
C16N5C15H15290.0°34.9°
C16N5C15H15390.0°154.8°
N5C16C23O390.0°4.9°
N5C16C23N1190.0°175.1°
H151C15H152H15390.0°120.0°
C16C23O3N1190.0°180.0°
C16C23N11C2990.0°174.9°
C16C23N11HN1190.0°5.0°
O3C23N11C2990.0°5.1°
O3C23N11HN1190.0°175.0°
C23N11C29C3090.0°180.0°
C23N11C29HN1190.0°180.0°
C23N11C29H29190.0°60.0°
C23N11C29H29290.0°59.9°
C21N7C22C2090.0°113.8°
N7C21H211H21290.0°120.0°
N7C21H211H21390.0°120.0°
N7C21H212H21390.0°120.0°
C21N7C22H22190.0°180.0°
C21N7C22H22290.0°60.0°
C21N7C22H22390.0°60.0°
C21N7C20C1990.0°170.0°
C21N7C20H20190.0°70.0°
C21N7C20H20290.0°50.0°
C22N7C21H21190.0°66.2°
C22N7C21H21290.0°173.8°
C22N7C21H21390.0°53.8°
N7C22H221H22290.0°120.0°
N7C22H221H22390.0°120.0°
N7C22H222H22390.0°119.9°
C22N7C20C1990.0°76.2°
C22N7C20H20190.0°43.8°
C22N7C20H20290.0°163.8°
C20N7C21H21190.0°180.0°
C20N7C21H21290.0°60.0°
C20N7C21H21390.0°60.0°
C20N7C22H22190.0°66.2°
C20N7C22H22290.0°173.8°
C20N7C22H22390.0°53.8°
N7C20C19H20190.0°120.0°
N7C20C19H20290.0°120.0°
N7C20H201H20290.0°120.1°
N7C20C19C1890.0°180.0°
N7C20C19H19190.0°60.0°
N7C20C19H19290.0°60.0°
H211C21H212H21390.0°120.1°
H221C22H222H22390.0°120.0°
C19C20H201H20290.0°119.9°
C20C19C18H19190.0°120.0°
C20C19C18H19290.0°120.0°
C20C19C18N690.0°180.0°
C20C19C18H18190.0°60.0°
C20C19C18H18290.0°60.0°
C20C19H191H19290.0°119.9°
H201C20C19C1890.0°60.0°
H201C20C19H19190.0°NaN°
H201C20C19H19290.0°60.0°
H202C20C19C1890.0°60.0°
H202C20C19H19190.0°60.0°
H202C20C19H19290.0°180.0°
C19C18N6H18190.0°120.0°
C19C18N6H18290.0°120.0°
C19C18H181H18290.0°120.1°
C18C19H191H19290.0°120.1°
C19C18N6C3190.0°180.0°
C19C18N6HN690.0°0.0°
N6C18H181H18290.0°119.9°
N6C18C19H19190.0°60.0°
N6C18C19H19290.0°60.0°
C18N6C31HN690.0°180.0°
C18N6C31O590.0°0.0°
C18N6C31C3090.0°180.0°
H181C18C19H19190.0°180.0°
H181C18C19H19290.0°60.0°
H181C18N6C3190.0°60.0°
H181C18N6HN690.0°120.0°
H182C18C19H19190.0°60.0°
H182C18C19H19290.0°180.0°
H182C18N6C3190.0°60.0°
H182C18N6HN690.0°120.0°
N6C31O5C3090.0°179.9°
N6C31C30C2990.0°180.0°
N6C31C30H30190.0°60.1°
N6C31C30H30290.0°60.0°
HN6N6C31O590.0°180.0°
HN6N6C31C3090.0°0.0°
NC3H31H32A90.0°120.0°
NC3H31H3390.0°120.0°
NC3H32AH3390.0°120.0°
C3NC2C490.0°179.5°
C3NC2C90.0°180.0°
C3NC2H290.0°0.2°
C3NC4C3290.0°180.0°
C3NC4C590.0°0.3°
H31C3H32AH3390.0°120.0°
H31C3NC290.0°95.3°
H31C3NC490.0°85.3°
H32AC3NC290.0°144.8°
H32AC3NC490.0°34.7°
H33C3NC290.0°24.7°
H33C3NC490.0°154.7°
NC2CH290.0°179.7°
NC2CN890.0°179.7°
NC2CC3290.0°0.3°
C2NC4C3290.0°0.5°
C2NC4C590.0°179.9°
C4NC2C90.0°0.5°
C4NC2H290.0°179.8°
NC4C32C90.0°0.3°
NC4C32C590.0°179.7°
NC4C32H3290.0°179.8°
NC4C5O190.0°4.8°
C2CN8C3290.0°180.0°
C2CN8C2490.0°180.0°
C2CN8HN890.0°0.0°
C2CC32C490.0°0.0°
C2CC32H3290.0°180.0°
H2C2CN890.0°0.1°
H2C2CC3290.0°180.0°
CN8C24HN890.0°180.0°
N8CC32C490.0°180.0°
N8CC32H3290.0°0.1°
CN8C24C2590.0°180.0°
CN8C24O490.0°0.0°
C24N8CC3290.0°0.0°
N8C24C25N990.0°179.7°
N8C24C25N1090.0°0.1°
N8C24C25O490.0°180.0°
HN8N8CC3290.0°180.0°
HN8N8C24C2590.0°0.0°
HN8N8C24O490.0°180.0°
CC32C4H3290.0°179.9°
CC32C4C590.0°180.0°
C32C4C5O190.0°174.8°
H32C32C4C590.0°0.1°
N9C28H281H28290.0°119.9°
N9C28H281H28390.0°120.1°
N9C28H282H28390.0°120.0°
C28N9C27C2590.0°179.6°
C28N9C27C2690.0°180.0°
C28N9C27H2790.0°0.2°
C28N9C25N1090.0°179.9°
C28N9C25C2490.0°0.3°
H281C28H282H28390.0°120.0°
H281C28N9C2790.0°90.0°
H281C28N9C2590.0°90.4°
H282C28N9C2790.0°150.1°
H282C28N9C2590.0°29.5°
H283C28N9C2790.0°30.1°
H283C28N9C2590.0°149.5°
N9C27C26H2790.0°179.8°
N9C27C26N1090.0°0.2°
N9C27C26H2690.0°179.8°
C27N9C25N1090.0°0.4°
C27N9C25C2490.0°179.9°
C25N9C27C2690.0°0.4°
C25N9C27H2790.0°179.8°
N9C25N10C2690.0°0.3°
N9C25N10C2490.0°179.7°
N9C25C24O490.0°0.3°
C27C26N10H2690.0°180.0°
C27C26N10C2590.0°0.0°
H27C27C26N1090.0°180.0°
H27C27C26H2690.0°0.0°
C26N10C25C2490.0°180.0°
H26C26N10C2590.0°179.9°
N10C25C24O490.0°179.9°
O5C31C30C2990.0°0.1°
O5C31C30H30190.0°120.0°
O5C31C30H30290.0°120.0°
C31C30C29H30190.0°119.9°
C31C30C29H30290.0°120.0°
C31C30H301H30290.0°120.0°
C31C30C29N1190.0°180.0°
C31C30C29H29190.0°60.0°
C31C30C29H29290.0°59.9°
C29C30H301H30290.0°120.1°
C30C29N11H29190.0°120.0°
C30C29N11H29290.0°120.1°
C30C29H291H29290.0°120.0°
C30C29N11HN1190.0°0.0°
H301C30C29N1190.0°60.1°
H301C30C29H29190.0°179.9°
H301C30C29H29290.0°60.0°
H302C30C29N1190.0°60.0°
H302C30C29H29190.0°60.0°
H302C30C29H29290.0°180.0°
N11C29H291H29290.0°120.0°
H291C29N11HN1190.0°120.0°
H292C29N11HN1190.0°120.1°

221051

PDB entries from 2024-06-12

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