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D14

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.42Å1.43ÅAromatic
C1C6sing1.41Å1.40ÅAromatic
C1C10sing1.40Å1.39ÅAromatic
CL1C9sing1.74Å1.71Å
C2C3sing1.41Å1.39ÅAromatic
C2C7sing1.40Å1.40ÅAromatic
C3C4doub1.38Å1.41ÅAromatic
C3H3sing1.08Å1.08Å
C4N5sing1.34Å1.36ÅAromatic
C4C12sing1.48Å1.50Å
N5C6doub1.31Å1.34ÅAromatic
C6H6sing1.08Å1.08Å
C7C8doub1.36Å1.41ÅAromatic
C7H7sing1.08Å1.08Å
C8C9sing1.39Å1.42ÅAromatic
C8H8sing1.08Å1.08Å
C9C10doub1.36Å1.40ÅAromatic
C10H10sing1.08Å1.08Å
C12N13sing1.35Å1.33Å
C12O15doub1.22Å1.23Å
N13C14sing1.47Å1.45Å
N13HN13sing0.97Å1.00Å
C14C16sing1.53Å1.55Å
C14C20sing1.53Å1.55Å
C14H14sing1.09Å1.10Å
C16C17sing1.53Å1.54Å
C16N26sing1.47Å1.46Å
C16H16sing1.09Å1.10Å
C17C18sing1.53Å1.55Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C18C19sing1.53Å1.55Å
C18H18sing1.09Å1.10Å
C18C24sing1.51Å1.54Å
C19C20sing1.53Å1.54Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
N26C27sing1.35Å1.33Å
N26HN26sing0.97Å1.00Å
C27C28sing1.47Å1.49Å
C27O29doub1.22Å1.23Å
C28N30doub1.30Å1.35ÅAromatic
C28S33sing1.76Å1.79ÅAromatic
N30C31sing1.32Å1.40ÅAromatic
C31C32doub1.35Å1.34ÅAromatic
C31C36sing1.53Å1.48Å
C32S33sing1.71Å1.72ÅAromatic
C32C34sing1.52Å1.48Å
C34N35sing1.48Å1.48Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
N35C36sing1.48Å1.47Å
N35C37sing1.47Å1.45Å
C36H36sing1.09Å1.10Å
C36H36Asing1.09Å1.10Å
C37H37sing1.09Å1.10Å
C37H37Asing1.09Å1.10Å
C37H37Bsing1.09Å1.10Å
C24O3doub1.21Å1.22Å
C24N6sing1.35Å1.47Å
N6C25sing1.47Å1.47Å
N6C26sing1.46Å1.47Å
C25H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H26sing1.09Å1.10Å
C26H27sing1.09Å1.10Å
C26H28sing1.09Å1.10Å
C26H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6119.5°118.8°
C2C1C10119.7°119.3°
C1C2C3118.0°118.3°
C1C2C7121.2°119.6°
C6C1C10120.8°121.9°
C1C6N5123.0°120.3°
C1C6H6118.5°119.8°
C1C10C9118.4°119.5°
C1C10H10120.8°120.2°
CL1C9C8120.4°119.5°
CL1C9C10116.4°119.4°
C3C2C7120.8°122.1°
C2C3C4118.2°118.5°
C2C3H3120.9°120.7°
C2C7C8119.6°119.5°
C2C7H7120.2°120.3°
C4C3H3120.9°120.7°
C3C4N5124.0°121.4°
C3C4C12118.9°119.3°
N5C4C12117.0°119.3°
C4N5C6117.3°122.7°
C4C12N13112.0°120.0°
C4C12O15125.6°120.0°
N5C6H6118.5°119.9°
C8C7H7120.2°120.2°
C7C8C9117.9°120.9°
C7C8H8121.0°119.6°
C9C8H8121.1°119.5°
C8C9C10123.2°121.1°
C9C10H10120.8°120.3°
N13C12O15122.4°120.0°
C12N13C14122.9°120.0°
C12N13HN13118.6°120.0°
C14N13HN13118.6°120.0°
N13C14C16108.0°109.5°
N13C14C20110.3°109.5°
N13C14H14111.4°109.4°
C16C14C20113.6°109.5°
C16C14H14108.0°109.5°
C14C16C17109.0°109.5°
C14C16N26109.4°109.4°
C14C16H16110.8°109.5°
C20C14H14105.5°109.4°
C14C20C19112.5°109.5°
C14C20H20108.5°109.5°
C14C20H20A108.5°109.4°
C17C16N26112.3°109.4°
C17C16H16107.8°109.5°
C16C17C18110.5°109.5°
C16C17H17109.1°109.5°
C16C17H17A109.2°109.4°
N26C16H16107.4°109.5°
C16N26C27124.8°120.0°
C16N26HN26117.6°120.1°
C18C17H17109.1°109.5°
C18C17H17A109.1°109.5°
C17C18C19110.7°109.5°
C17C18H18108.8°109.4°
C17C18C24109.1°109.5°
H17C17H17A109.8°109.5°
C19C18H18108.8°109.5°
C19C18C24109.0°109.5°
C18C19C20111.1°109.5°
C18C19H19108.9°109.5°
C18C19H19A109.0°109.5°
H18C18C24110.4°109.5°
C18C24O3120.0°120.0°
C18C24N6120.0°120.0°
C20C19H19108.9°109.5°
C20C19H19A108.9°109.4°
C19C20H20108.5°109.5°
C19C20H20A108.5°109.5°
H19C19H19A110.0°109.5°
H20C20H20A110.4°109.4°
C27N26HN26117.6°120.0°
N26C27C28113.4°120.0°
N26C27O29123.2°120.0°
C28C27O29123.4°120.0°
C27C28N30126.0°125.5°
C27C28S33119.7°125.6°
N30C28S33114.0°108.9°
C28N30C31109.0°116.7°
C28S33C3287.7°90.4°
N30C31C32116.4°114.4°
N30C31C36135.6°137.7°
C32C31C36108.0°107.9°
C31C32S33112.9°109.6°
C31C32C34112.6°109.2°
C31C36N35104.1°105.6°
C31C36H36111.3°110.2°
C31C36H36A111.3°110.2°
S33C32C34134.5°141.2°
C32C34N35101.5°105.4°
C32C34H34112.2°110.2°
C32C34H34A112.2°110.3°
N35C34H34112.2°110.3°
N35C34H34A112.2°110.3°
C34N35C36106.3°103.3°
C34N35C37111.7°111.0°
H34C34H34A106.6°110.3°
C36N35C37115.6°111.0°
N35C36H36111.3°110.2°
N35C36H36A111.3°110.2°
N35C37H37109.5°109.4°
N35C37H37A109.5°109.5°
N35C37H37B109.4°109.4°
H36C36H36A107.6°110.2°
H37C37H37A109.5°109.5°
H37C37H37B109.4°109.5°
H37AC37H37B109.5°109.5°
O3C24N6120.0°120.0°
C24N6C25120.0°120.0°
C24N6C26120.0°120.0°
C25N6C26120.0°120.0°
N6C25H24109.5°109.4°
N6C25H25109.5°109.5°
N6C25H26109.5°109.5°
N6C26H27109.5°109.4°
N6C26H28109.4°109.5°
N6C26H29109.5°109.5°
H24C25H25109.5°109.5°
H24C25H26109.4°109.4°
H25C25H26109.5°109.5°
H27C26H28109.5°109.5°
H27C26H29109.5°109.4°
H28C26H29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6C10178.8°179.7°
C1C2C3C7179.4°179.9°
C1C2C3C40.3°0.0°
C1C2C3H3179.7°179.9°
C2C1C6N50.1°0.0°
C2C1C6H6179.9°179.9°
C1C2C7C80.5°0.1°
C1C2C7H7179.5°180.0°
C2C1C10C91.4°0.5°
C2C1C10H10178.6°179.9°
C6C1C2C30.6°0.0°
C6C1C2C7180.0°179.9°
C1C6N5C40.7°0.1°
C1C6N5H6180.0°180.0°
C6C1C10C9179.9°179.8°
C6C1C10H100.2°0.2°
C1C10C9CL1179.3°179.7°
C10C1C2C3179.4°179.7°
C10C1C2C71.2°0.2°
C10C1C6N5178.9°179.7°
C10C1C6H61.1°0.3°
C1C10C9C80.9°0.5°
C1C10C9H10180.0°179.6°
CL1C9C8C7178.6°180.0°
CL1C9C8C10178.4°179.7°
CL1C9C8H81.4°0.0°
CL1C9C10H100.6°0.2°
C2C3C4H3180.0°180.0°
C2C3C4N50.5°0.1°
C2C3C4C12178.4°180.0°
C3C2C7C8179.9°180.0°
C3C2C7H70.1°0.1°
C7C2C3C4179.7°179.9°
C7C2C3H30.3°0.0°
C2C7C8H7180.0°179.9°
C2C7C8C90.0°0.0°
C2C7C8H8180.0°180.0°
C3C4N5C12177.9°180.0°
C3C4N5C61.0°0.1°
C3C4C12N13134.1°180.0°
C3C4C12O1543.4°0.0°
H3C3C4N5179.5°179.9°
H3C3C4C121.6°0.0°
C4N5C6H6179.3°179.9°
N5C4C12N1343.9°0.0°
N5C4C12O15138.6°180.0°
C12C4N5C6178.9°180.0°
C4C12N13O15177.6°180.0°
C4C12N13C14178.5°180.0°
C4C12N13HN131.5°0.0°
C7C8C9H8180.0°180.0°
C7C8C9C100.1°0.3°
H7C7C8C9180.0°179.9°
H7C7C8H80.0°0.1°
C8C9C10H10179.1°179.9°
H8C8C9C10179.9°179.7°
C12N13C14HN13180.0°180.0°
C12N13C14C16101.8°155.0°
C12N13C14C20133.6°85.0°
C12N13C14H1416.7°35.0°
O15C12N13C143.9°0.0°
O15C12N13HN13176.1°180.0°
N13C14C16C20122.7°120.0°
N13C14C16H14120.6°120.0°
N13C14C20H14120.5°119.9°
N13C14C16C17177.2°180.0°
N13C14C16N2654.0°60.0°
N13C14C16H1664.3°60.0°
N13C14C20C19172.2°180.0°
N13C14C20H2067.8°60.0°
N13C14C20H20A52.2°60.0°
HN13N13C14C1678.2°25.0°
HN13N13C14C2046.4°95.0°
HN13N13C14H14163.3°145.0°
C16C14C20H14118.2°120.0°
C14C16C17N26121.4°119.9°
C14C16C17H16120.4°120.1°
C14C16N26H16120.4°120.0°
C14C16C17C1859.1°60.0°
C14C16C17H17179.1°180.0°
C14C16C17H17A60.9°60.0°
C16C14C20C1950.8°60.0°
C16C14C20H20170.8°180.0°
C16C14C20H20A69.2°60.0°
C14C16N26C27160.4°155.0°
C14C16N26HN2619.6°25.0°
C20C14C16C1754.5°60.0°
C20C14C16N2668.7°60.0°
C20C14C16H16173.0°180.0°
C14C20C19C1850.4°60.0°
C14C20C19H20120.0°120.0°
C14C20C19H20A120.0°120.0°
C14C20C19H19170.3°180.0°
C14C20C19H19A69.7°60.0°
C14C20H20H20A118.8°119.9°
H14C14C16C1762.2°60.0°
H14C14C16N26174.6°180.0°
H14C14C16H1656.3°60.0°
H14C14C20C1967.3°60.0°
H14C14C20H2052.7°60.0°
H14C14C20H20A172.7°179.9°
C17C16N26H16118.4°120.0°
C16C17C18H17120.0°120.0°
C16C17C18H17A120.0°120.0°
C16C17H17H17A119.6°120.0°
C16C17C18C1960.9°60.0°
C16C17C18H1858.6°60.0°
C16C17C18C24179.1°180.0°
C17C16N26C2778.4°85.0°
C17C16N26HN26101.6°95.0°
N26C16C17C1862.3°60.0°
N26C16C17H1757.6°60.0°
N26C16C17H17A177.6°180.0°
C16N26C27HN26180.0°180.0°
C16N26C27C28173.2°180.0°
C16N26C27O296.6°0.0°
H16C16C17C18179.5°180.0°
H16C16C17H1760.5°59.9°
H16C16C17H17A59.5°60.0°
H16C16N26C2740.0°35.0°
H16C16N26HN26140.0°145.0°
C18C17H17H17A119.6°120.0°
C17C18C19H18119.5°119.9°
C17C18C19C24120.0°120.0°
C17C18H18C24119.7°120.0°
C17C18C19C2055.6°60.0°
C17C18C19H19175.6°180.0°
C17C18C19H19A64.4°60.0°
C17C18C24O3111.9°23.7°
C17C18C24N668.1°156.3°
H17C17C18C19179.1°180.0°
H17C17C18H1861.4°60.0°
H17C17C18C2459.1°60.0°
H17AC17C18C1959.1°60.0°
H17AC17C18H18178.6°180.0°
H17AC17C18C2460.9°60.0°
C19C18H18C24119.6°120.0°
C18C19C20H19120.0°120.0°
C18C19C20H19A120.0°120.0°
C18C19H19H19A119.4°120.0°
C18C19C20H20170.4°180.0°
C18C19C20H20A69.7°60.0°
C19C18C24O39.1°96.3°
C19C18C24N6170.9°83.7°
H18C18C19C2063.8°60.0°
H18C18C19H1956.1°60.1°
H18C18C19H19A176.1°179.9°
H18C18C24O3128.6°143.7°
H18C18C24N651.4°36.4°
C24C18C19C20175.7°180.0°
C24C18C19H1964.4°60.0°
C24C18C19H19A55.6°60.0°
C18C24O3N6180.0°180.0°
C18C24N6C25179.9°175.8°
C18C24N6C260.1°4.3°
C20C19H19H19A119.3°120.0°
C19C20H20H20A118.8°120.0°
H19C19C20H2069.7°60.0°
H19C19C20H20A50.3°60.0°
H19AC19C20H2050.3°60.0°
H19AC19C20H20A170.3°180.0°
N26C27C28O29179.8°180.0°
N26C27C28N306.8°180.0°
N26C27C28S33179.1°0.3°
HN26N26C27C286.9°0.0°
HN26N26C27O29173.4°180.0°
C27C28N30S33174.4°179.8°
C27C28N30C31174.5°180.0°
C27C28S33C32174.9°179.9°
O29C27C28N30173.4°0.1°
O29C27C28S330.7°179.7°
C28N30C31C320.0°0.0°
C28N30C31C36179.0°179.8°
N30C28S33C320.1°0.3°
S33C28N30C310.1°0.2°
C28S33C32C310.2°0.3°
C28S33C32C34179.3°179.9°
N30C31C32C36179.2°179.9°
N30C31C32S330.2°0.3°
N30C31C32C34179.4°179.9°
N30C31C36N35162.6°162.1°
N30C31C36H3642.7°43.0°
N30C31C36H36A77.3°78.9°
C31C32S33C34179.5°179.7°
C31C32C34N3516.4°17.7°
C31C32C34H34103.5°101.3°
C31C32C34H34A136.4°136.7°
C32C31C36N3516.3°18.1°
C32C31C36H36136.3°137.1°
C32C31C36H36A103.7°101.0°
C36C31C32S33179.4°179.6°
C36C31C32C340.2°0.2°
C31C36N35C3426.5°28.0°
C31C36N35H36120.0°119.1°
C31C36N35H36A120.0°119.1°
C31C36N35C37151.1°147.1°
C31C36H36H36A122.2°121.9°
S33C32C34N35163.0°162.6°
S33C32C34H3477.0°78.5°
S33C32C34H34A43.0°43.6°
C32C34N35H34120.0°118.9°
C32C34N35H34A120.0°119.0°
C32C34H34H34A123.2°122.0°
C32C34N35C3625.9°27.8°
C32C34N35C37152.9°146.8°
N35C34H34H34A123.2°122.1°
C34N35C36C37124.6°119.0°
C34N35C36H36146.5°147.1°
C34N35C36H36A93.5°91.0°
C34N35C37H37180.0°60.0°
C34N35C37H37A60.0°180.0°
C34N35C37H37B60.0°60.0°
H34C34N35C3694.1°91.1°
H34C34N35C3732.9°27.9°
H34AC34N35C36145.9°146.8°
H34AC34N35C3787.1°94.2°
N35C36H36H36A122.2°121.9°
C36N35C37H3758.2°174.3°
C36N35C37H37A61.8°65.7°
C36N35C37H37B178.2°54.3°
C37N35C36H3688.9°93.9°
C37N35C36H36A31.1°28.0°
N35C37H37H37A120.0°120.0°
N35C37H37H37B120.0°120.0°
N35C37H37AH37B120.0°119.9°
H37C37H37AH37B120.0°120.1°
O3C24N6C250.0°4.2°
O3C24N6C26180.0°175.7°
C24N6C25C26180.0°180.0°
C24N6C25H24180.0°90.0°
C24N6C25H2560.0°150.0°
C24N6C25H2660.0°29.9°
C24N6C26H27180.0°4.9°
C24N6C26H2860.0°124.8°
C24N6C26H2960.0°115.1°
N6C25H24H25120.0°120.1°
N6C25H24H26120.0°119.9°
N6C25H25H26120.0°120.0°
C25N6C26H270.0°175.1°
C25N6C26H28120.0°55.1°
C25N6C26H29120.0°64.9°
C26N6C25H240.0°90.1°
C26N6C25H25120.0°30.0°
C26N6C25H26120.0°150.0°
N6C26H27H28120.0°120.0°
N6C26H27H29120.0°120.0°
N6C26H28H29120.0°120.1°
H24C25H25H26120.0°119.9°
H27C26H28H29120.0°120.0°

223532

PDB entries from 2024-08-07

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