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X17

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.51Å1.51Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C11N1sing1.37Å1.36Å
N1C12sing1.47Å1.46Å
N1C10sing1.35Å1.36Å
C8O1sing1.43Å1.42Å
C7O1sing1.36Å1.38Å
C7C2doub1.39Å1.40ÅAromatic
C3C2sing1.38Å1.41ÅAromatic
N2C11doub1.30Å1.30Å
N2C9sing1.47Å1.50Å
C10O2doub1.21Å1.22Å
C4C3doub1.38Å1.41ÅAromatic
C3H3sing1.08Å1.08Å
N3C11sing1.37Å1.36Å
N3HN3sing0.97Å1.00Å
N3HN3Asing0.97Å1.00Å
C5C4sing1.38Å1.40ÅAromatic
C9C4sing1.51Å1.54Å
C5C6doub1.38Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
C6C7sing1.39Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C8H8Bsing1.09Å1.10Å
C13C9sing1.53Å1.59Å
C9C10sing1.52Å1.54Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C12H12Bsing1.09Å1.10Å
C22C13sing1.53Å1.56Å
C14C13sing1.53Å1.56Å
C13C18sing1.53Å1.56Å
C15C14sing1.53Å1.54Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C21C15sing1.53Å1.54Å
C15C16sing1.53Å1.54Å
C15H15sing1.09Å1.10Å
C16C17sing1.53Å1.53Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C19C17sing1.53Å1.53Å
C17C18sing1.53Å1.54Å
C17H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C20C19sing1.53Å1.53Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C21C20sing1.53Å1.53Å
C20C22sing1.53Å1.54Å
C20H20sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H1109.5°109.5°
C2C1H1A109.5°109.5°
C2C1H1B109.5°109.4°
C1C2C7121.3°120.0°
C1C2C3119.2°120.1°
H1C1H1A109.4°109.5°
H1C1H1B109.5°109.5°
H1AC1H1B109.5°109.4°
C11N1C12127.1°124.7°
C11N1C10109.2°110.6°
N1C11N2114.5°112.8°
N1C11N3121.2°123.6°
C12N1C10123.6°124.7°
N1C12H12109.5°109.4°
N1C12H12A109.5°109.4°
N1C12H12B109.5°109.4°
N1C10O2126.3°127.4°
N1C10C9107.0°105.1°
C8O1C7116.2°117.0°
O1C8H8109.5°109.5°
O1C8H8A109.5°109.5°
O1C8H8B109.4°109.5°
O1C7C2115.7°120.0°
O1C7C6124.9°120.1°
C7C2C3119.5°119.9°
C2C7C6119.3°119.9°
C2C3C4122.0°120.1°
C2C3H3119.0°119.9°
C11N2C9108.1°107.5°
N2C11N3123.2°123.6°
N2C9C4110.2°110.5°
N2C9C13108.2°110.5°
N2C9C10101.1°103.9°
O2C10C9126.7°127.5°
C4C3H3119.0°120.0°
C3C4C5117.6°120.1°
C3C4C9119.8°120.0°
C11N3HN3120.0°120.0°
C11N3HN3A120.0°120.0°
HN3N3HN3A120.0°120.0°
C5C4C9122.6°119.9°
C4C5C6121.1°120.1°
C4C5H5119.4°119.9°
C4C9C13113.2°110.5°
C4C9C10112.3°110.6°
C6C5H5119.4°120.0°
C5C6C7120.5°119.9°
C5C6H6119.8°120.0°
C7C6H6119.8°120.1°
H8C8H8A109.5°109.5°
H8C8H8B109.5°109.5°
H8AC8H8B109.5°109.5°
C13C9C10111.1°110.7°
C9C13C22111.3°109.5°
C9C13C14110.8°109.4°
C9C13C18112.5°109.5°
H12C12H12A109.4°109.5°
H12C12H12B109.5°109.5°
H12AC12H12B109.5°109.5°
C22C13C14107.2°109.5°
C22C13C18107.5°109.5°
C13C22C20111.4°109.5°
C13C22H22108.8°109.5°
C13C22H22A108.8°109.5°
C14C13C18107.4°109.5°
C13C14C15111.6°109.5°
C13C14H14108.8°109.5°
C13C14H14A108.8°109.5°
C13C18C17111.4°109.4°
C13C18H18108.8°109.5°
C13C18H18A108.8°109.5°
C15C14H14108.8°109.5°
C15C14H14A108.7°109.5°
C14C15C21109.2°109.5°
C14C15C16109.1°109.5°
C14C15H15110.1°109.5°
H14C14H14A110.2°109.4°
C21C15C16110.0°109.4°
C21C15H15109.2°109.5°
C15C21C20109.6°109.4°
C15C21H21109.4°109.5°
C15C21H21A109.4°109.5°
C16C15H15109.2°109.5°
C15C16C17109.8°109.5°
C15C16H16109.4°109.4°
C15C16H16A109.4°109.5°
C17C16H16109.4°109.5°
C17C16H16A109.4°109.5°
C16C17C19109.5°109.5°
C16C17C18108.9°109.5°
C16C17H17109.8°109.5°
H16C16H16A109.5°109.4°
C19C17C18109.4°109.5°
C19C17H17109.2°109.5°
C17C19C20110.3°109.5°
C17C19H19109.2°109.5°
C17C19H19A109.2°109.5°
C18C17H17109.9°109.5°
C17C18H18108.9°109.5°
C17C18H18A108.8°109.4°
H18C18H18A110.1°109.5°
C20C19H19109.2°109.5°
C20C19H19A109.2°109.5°
C19C20C21109.2°109.5°
C19C20C22108.9°109.4°
C19C20H20110.1°109.5°
H19C19H19A109.8°109.4°
C21C20C22109.7°109.5°
C21C20H20109.3°109.5°
C20C21H21109.4°109.5°
C20C21H21A109.4°109.5°
C22C20H20109.6°109.5°
C20C22H22108.8°109.5°
C20C22H22A108.8°109.5°
H21C21H21A109.5°109.5°
H22C22H22A110.1°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H1H1A120.0°120.1°
C2C1H1H1B120.0°120.0°
C2C1H1AH1B120.0°119.9°
C1C2C7O10.3°0.2°
C1C2C7C3179.9°179.7°
C1C2C3C4179.9°180.0°
C1C2C3H30.0°0.0°
C1C2C7C6180.0°179.7°
H1C1H1AH1B120.0°120.0°
H1C1C2C790.0°90.3°
H1C1C2C390.0°90.0°
H1AC1C2C7150.1°29.8°
H1AC1C2C330.0°149.9°
H1BC1C2C730.1°149.7°
H1BC1C2C3150.0°30.0°
C11N1C12C10179.5°179.6°
N1C11N2N3167.6°179.8°
N1C11N2C91.7°0.2°
C11N1C10O2179.8°179.7°
N1C11N3HN3166.8°179.7°
N1C11N3HN3A13.2°0.2°
C11N1C10C90.3°0.3°
C11N1C12H12180.0°90.3°
C11N1C12H12A60.0°29.6°
C11N1C12H12B60.0°149.7°
C12N1C11N2179.6°180.0°
C12N1C10O20.2°0.0°
C12N1C11N311.7°0.2°
C12N1C10C9179.3°180.0°
N1C12H12H12A120.0°120.0°
N1C12H12H12B120.0°119.9°
N1C12H12AH12B120.0°120.0°
C10N1C11N20.9°0.4°
N1C10C9N21.2°0.2°
N1C10O2C9179.3°180.0°
C10N1C11N3168.8°179.9°
N1C10C9C4118.6°118.4°
N1C10C9C13113.5°118.9°
C10N1C12H120.5°90.0°
C10N1C12H12A120.5°150.0°
C10N1C12H12B119.5°29.9°
C8O1C7C2169.1°179.5°
C8O1C7C610.6°0.0°
O1C8H8H8A120.0°120.0°
O1C8H8H8B120.0°120.0°
O1C8H8AH8B120.0°120.0°
O1C7C2C6179.7°179.5°
O1C7C2C3179.7°179.9°
O1C7C6C5179.7°179.9°
O1C7C6H60.3°0.3°
C7O1C8H8180.0°60.0°
C7O1C8H8A60.0°180.0°
C7O1C8H8B60.0°60.0°
C7C2C3C40.0°0.3°
C7C2C3H3179.9°179.8°
C2C7C6C50.0°0.6°
C2C7C6H6180.0°179.7°
C2C3C4H3180.0°179.9°
C2C3C4C50.1°0.0°
C2C3C4C9179.8°179.9°
C3C2C7C60.1°0.6°
N2C11N3HN30.0°0.0°
N2C11N3HN3A180.0°179.9°
C11N2C9C4120.6°118.7°
C11N2C9C13115.2°118.7°
C11N2C9C101.7°0.0°
N2C9C10O2179.4°179.8°
N2C9C4C3149.1°155.5°
C9N2C11N3169.3°180.0°
N2C9C4C531.2°24.6°
N2C9C4C13121.3°122.7°
N2C9C4C10111.9°114.5°
N2C9C13C10110.2°114.6°
N2C9C13C2256.8°59.9°
N2C9C13C1462.4°179.9°
N2C9C13C18177.4°60.1°
O2C10C9C462.0°61.6°
O2C10C9C1365.9°61.1°
C3C4C5C9179.7°179.9°
C3C4C5C60.1°0.0°
C3C4C5H5179.8°180.0°
C3C4C9C1389.5°81.9°
C3C4C9C1037.3°41.0°
H3C3C4C5179.9°179.9°
H3C3C4C90.2°0.0°
C11N3HN3HN3A180.0°179.9°
C4C5C6H5180.0°180.0°
C4C5C6C70.1°0.3°
C4C5C6H6179.9°180.0°
C5C4C9C1390.2°98.1°
C5C4C9C10143.0°139.1°
C9C4C5C6179.9°179.9°
C9C4C5H50.1°0.0°
C4C9C13C10127.4°122.8°
C4C9C13C2265.6°177.4°
C4C9C13C14175.2°57.4°
C4C9C13C1855.0°62.6°
C5C6C7H6180.0°179.7°
H5C5C6C7179.9°179.8°
H5C5C6H60.1°0.1°
H8C8H8AH8B120.0°120.0°
C9C13C22C14121.3°120.0°
C9C13C22C18123.5°120.0°
C9C13C14C18123.2°120.0°
C9C13C14C15179.6°180.0°
C9C13C14H1460.4°60.0°
C9C13C14H14A59.6°60.0°
C9C13C18C17179.7°180.0°
C9C13C18H1860.3°60.0°
C9C13C18H18A59.7°60.0°
C9C13C22C20178.4°180.0°
C9C13C22H2258.4°60.0°
C9C13C22H22A61.6°60.0°
C10C9C13C22167.0°54.6°
C10C9C13C1447.8°65.3°
C10C9C13C1872.4°174.7°
H12C12H12AH12B120.0°120.1°
C22C13C14C18115.2°120.0°
C22C13C14C1557.9°60.0°
C22C13C14H14177.9°180.0°
C22C13C14H14A62.0°60.0°
C22C13C18C1757.5°60.0°
C22C13C18H1862.5°60.0°
C22C13C18H18A177.5°180.0°
C13C22C20C1960.0°60.0°
C13C22C20C2159.5°60.0°
C13C22C20H22120.0°120.0°
C13C22C20H22A120.0°120.0°
C13C22C20H20179.5°180.0°
C13C22H22H22A119.2°120.0°
C13C14C15H14120.0°120.0°
C13C14C15H14A120.0°120.0°
C13C14H14H14A119.2°120.0°
C13C14C15C2160.6°60.0°
C13C14C15C1659.7°60.0°
C13C14C15H15179.6°180.0°
C14C13C18C1757.5°60.0°
C14C13C18H18177.5°180.0°
C14C13C18H18A62.5°59.9°
C14C13C22C2057.1°60.0°
C14C13C22H2262.9°60.0°
C14C13C22H22A177.1°179.9°
C18C13C14C1557.2°60.0°
C18C13C14H1462.7°60.0°
C18C13C14H14A177.2°180.0°
C13C18C17C1660.4°60.0°
C13C18C17C1959.3°60.0°
C13C18C17H18120.0°120.0°
C13C18C17H18A120.0°120.0°
C13C18C17H17179.3°180.0°
C13C18H18H18A119.2°120.0°
C18C13C22C2058.0°60.0°
C18C13C22H22178.0°180.0°
C18C13C22H22A62.0°60.0°
C15C14H14H14A119.1°120.0°
C14C15C21C16119.7°120.0°
C14C15C21H15120.4°120.0°
C14C15C16H15120.4°120.0°
C14C15C16C1760.8°60.0°
C14C15C16H1659.2°60.0°
C14C15C16H16A179.2°180.0°
C14C15C21C2060.3°60.0°
C14C15C21H21179.7°180.0°
C14C15C21H21A59.7°60.0°
H14C14C15C21179.4°180.0°
H14C14C15C1660.3°60.1°
H14C14C15H1559.6°60.0°
H14AC14C15C2159.4°60.0°
H14AC14C15C16179.7°180.0°
H14AC14C15H1560.4°60.0°
C21C15C16H15119.8°120.0°
C21C15C16C1759.0°60.0°
C21C15C16H16179.0°180.0°
C21C15C16H16A61.1°60.1°
C15C21C20C1959.4°60.0°
C15C21C20H21120.0°120.0°
C15C21C20H21A120.0°120.0°
C15C21C20C2259.9°60.0°
C15C21C20H20179.9°180.0°
C15C21H21H21A119.9°120.0°
C15C16C17H16120.0°120.0°
C15C16C17H16A120.0°120.0°
C15C16H16H16A119.9°119.9°
C15C16C17C1958.7°60.0°
C15C16C17C1861.0°60.0°
C15C16C17H17178.6°180.0°
C16C15C21C2059.4°60.0°
C16C15C21H2160.6°60.0°
C16C15C21H21A179.4°180.0°
H15C15C16C17178.8°180.0°
H15C15C16H1661.2°60.0°
H15C15C16H16A58.8°59.9°
H15C15C21C20179.3°180.0°
H15C15C21H2159.2°60.0°
H15C15C21H21A60.8°60.0°
C17C16H16H16A119.9°120.1°
C16C17C19C18119.3°120.0°
C16C17C19H17120.3°120.0°
C16C17C18H17120.3°120.0°
C16C17C18H18179.6°180.0°
C16C17C18H18A59.6°60.0°
C16C17C19C2059.5°60.0°
C16C17C19H19179.5°179.9°
C16C17C19H19A60.5°60.0°
H16C16C17C19178.7°180.0°
H16C16C17C1859.0°60.0°
H16C16C17H1761.4°60.0°
H16AC16C17C1961.4°60.0°
H16AC16C17C18179.0°180.0°
H16AC16C17H1758.6°60.0°
C19C17C18H17120.0°120.0°
C19C17C18H1860.7°60.0°
C19C17C18H18A179.3°180.0°
C17C19C20H19120.0°120.1°
C17C19C20H19A120.0°120.0°
C17C19H19H19A119.6°120.0°
C17C19C20C2159.8°60.0°
C17C19C20C2260.0°60.0°
C17C19C20H20179.8°180.0°
C17C18H18H18A119.2°120.0°
C18C17C19C2059.8°60.0°
C18C17C19H1960.2°60.0°
C18C17C19H19A179.8°180.0°
H17C17C18H1859.2°60.0°
H17C17C18H18A60.7°60.0°
H17C17C19C20179.8°180.0°
H17C17C19H1960.2°60.0°
H17C17C19H19A59.8°60.0°
C20C19H19H19A119.7°119.9°
C19C20C21C22119.3°120.0°
C19C20C21H20120.5°120.0°
C19C20C22H20120.5°120.0°
C19C20C21H2160.6°60.0°
C19C20C21H21A179.4°180.0°
C19C20C22H22180.0°180.0°
C19C20C22H22A60.0°60.0°
H19C19C20C21179.8°179.9°
H19C19C20C2259.9°60.1°
H19C19C20H2060.2°59.9°
H19AC19C20C2160.2°60.0°
H19AC19C20C22180.0°180.0°
H19AC19C20H2059.8°60.0°
C21C20C22H20120.0°120.0°
C20C21H21H21A119.9°120.0°
C21C20C22H2260.5°60.0°
C21C20C22H22A179.5°179.9°
C22C20C21H21179.9°180.0°
C22C20C21H21A60.1°60.0°
C20C22H22H22A119.2°120.0°
H20C20C21H2159.9°60.0°
H20C20C21H21A60.1°60.0°
H20C20C22H2259.6°60.0°
H20C20C22H22A60.5°59.9°

224931

PDB entries from 2024-09-11

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