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JC2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16C15doub1.38Å1.40ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C15C14sing1.38Å1.40ÅAromatic
C17C18doub1.38Å1.39ÅAromatic
C14C13sing1.51Å1.53Å
C14C19doub1.38Å1.39ÅAromatic
C13O06sing1.45Å1.41Å
C18C19sing1.38Å1.37ÅAromatic
O06C12sing1.35Å1.37Å
O07C12doub1.22Å1.18Å
C12N04sing1.35Å1.40Å
N04C11sing1.46Å1.44Å
C11P01sing1.82Å1.82Å
O05P01doub1.48Å1.52Å
O01P01sing1.61Å1.51Å
O03C10doub1.21Å1.26Å
P01N01sing1.68Å1.67Å
O02C10sing1.34Å1.25Å
C10C07sing1.51Å1.52Å
N01C01sing1.47Å1.46Å
C07N02sing1.47Å1.45Å
C07C08sing1.53Å1.52Å
N02C06sing1.35Å1.39Å
C06O04doub1.21Å1.20Å
C06C01sing1.51Å1.52Å
C01C02sing1.53Å1.52Å
C08C09sing1.53Å1.52Å
C09N03sing1.47Å1.46Å
C02C03sing1.53Å1.52Å
C05C03sing1.53Å1.53Å
C03C04sing1.53Å1.52Å
C11H1sing1.09Å1.10Å
C11H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C15H5sing1.08Å1.08Å
C16H6sing1.08Å1.08Å
C19H7sing1.08Å1.08Å
O01H8sing0.97Å0.95Å
N01H9sing1.01Å1.00Å
C01H10sing1.09Å1.10Å
C02H11sing1.09Å1.10Å
C02H12sing1.09Å1.10Å
C03H13sing1.09Å1.10Å
C04H14sing1.09Å1.10Å
C04H15sing1.09Å1.10Å
C04H16sing1.09Å1.10Å
C05H17sing1.09Å1.10Å
C05H18sing1.09Å1.10Å
C05H19sing1.09Å1.10Å
N02H20sing0.97Å1.00Å
C07H21sing1.09Å1.10Å
O02H22sing0.97Å0.95Å
N04H23sing0.97Å1.00Å
C17H24sing1.08Å1.08Å
C18H25sing1.08Å1.08Å
C08H26sing1.09Å1.10Å
C08H27sing1.09Å1.10Å
C09H28sing1.09Å1.10Å
C09H29sing1.09Å1.10Å
N03H30sing1.01Å1.00Å
N03H31sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C16C17119.7°120.1°
C16C15C14120.8°120.0°
C16C15H5119.6°120.1°
C15C16H6120.2°120.0°
C16C17C18119.6°120.0°
C17C16H6120.2°120.0°
C16C17H24120.2°120.1°
C15C14C13120.6°120.0°
C15C14C19118.1°120.0°
C14C15H5119.6°120.0°
C17C18C19120.3°120.0°
C18C17H24120.2°119.9°
C17C18H25119.8°120.0°
C13C14C19121.3°120.0°
C14C13O06109.7°109.4°
C14C13H3109.4°109.5°
C14C13H4109.4°109.5°
C14C19C18121.5°120.0°
C14C19H7119.3°120.0°
C13O06C12117.9°117.0°
O06C13H3109.4°109.5°
O06C13H4109.4°109.5°
C18C19H7119.2°120.0°
C19C18H25119.8°120.0°
O06C12O07126.6°120.0°
O06C12N04108.1°120.1°
O07C12N04125.2°120.0°
C12N04C11122.3°120.0°
C12N04H23118.9°120.0°
N04C11P01108.5°109.5°
N04C11H1109.7°109.5°
N04C11H2109.7°109.5°
C11N04H23118.9°119.9°
C11P01O05110.3°109.5°
C11P01O01109.6°109.5°
C11P01N01105.0°109.5°
P01C11H1109.7°109.5°
P01C11H2109.7°109.4°
O05P01O01110.9°109.5°
O05P01N01107.1°109.5°
O01P01N01113.8°109.5°
P01O01H8109.5°114.0°
O03C10O02122.2°120.0°
O03C10C07120.3°120.0°
P01N01C01122.1°110.9°
P01N01H9106.2°111.0°
O02C10C07117.5°120.0°
C10O02H22109.5°117.0°
C10C07N02109.0°109.5°
C10C07C08112.0°109.5°
C10C07H21107.8°109.4°
N01C01C06111.7°109.4°
N01C01C02109.2°109.5°
C01N01H9106.3°111.0°
N01C01H10109.1°109.5°
N02C07C08111.4°109.5°
C07N02C06121.3°120.0°
C07N02H20119.4°120.0°
N02C07H21108.8°109.5°
C07C08C09112.2°109.5°
C08C07H21107.8°109.5°
C07C08H26108.8°109.4°
C07C08H27108.8°109.5°
N02C06O04122.7°120.0°
N02C06C01114.2°120.0°
C06N02H20119.4°120.0°
O04C06C01123.0°120.0°
C06C01C02110.3°109.4°
C06C01H10108.3°109.4°
C01C02C03114.9°109.5°
C02C01H10108.2°109.5°
C01C02H11108.1°109.5°
C01C02H12108.1°109.4°
C08C09N03112.1°109.4°
C09C08H26108.8°109.5°
C09C08H27108.8°109.5°
C08C09H28108.8°109.5°
C08C09H29108.8°109.4°
N03C09H28108.8°109.5°
N03C09H29108.8°109.5°
C09N03H30109.5°110.9°
C09N03H31109.5°111.1°
C02C03C05110.0°109.5°
C02C03C04111.0°109.5°
C03C02H11108.1°109.5°
C03C02H12108.1°109.5°
C02C03H13108.1°109.5°
C05C03C04111.5°109.4°
C05C03H13108.0°109.4°
C03C05H17109.5°109.5°
C03C05H18109.5°109.5°
C03C05H19109.5°109.5°
C04C03H13108.1°109.5°
C03C04H14109.5°109.5°
C03C04H15109.5°109.5°
C03C04H16109.5°109.5°
H1C11H2109.5°109.5°
H3C13H4109.5°109.5°
H11C02H12109.5°109.5°
H14C04H15109.5°109.5°
H14C04H16109.4°109.4°
H15C04H16109.5°109.4°
H17C05H18109.4°109.4°
H17C05H19109.5°109.5°
H18C05H19109.5°109.4°
H26C08H27109.5°109.5°
H28C09H29109.5°109.5°
H30N03H31109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C16C17H6180.0°180.0°
C16C15C14H5180.0°179.9°
C15C16C17C182.3°0.3°
C16C15C14C13179.9°179.9°
C16C15C14C190.1°0.3°
C15C16C17H24177.7°180.0°
C17C16C15C141.7°0.0°
C16C17C18H24180.0°179.7°
C16C17C18C191.3°0.4°
C17C16C15H5178.3°180.0°
C16C17C18H25178.7°180.0°
C15C14C13C19179.9°179.8°
C15C14C13O06117.7°89.7°
C15C14C19C181.0°0.2°
C15C14C13H3122.3°30.2°
C15C14C13H42.3°150.3°
C14C15C16H6178.3°180.0°
C15C14C19H7179.0°179.7°
C17C18C19C140.3°0.1°
C17C18C19H25180.0°179.7°
C18C17C16H6177.7°179.7°
C17C18C19H7179.7°180.0°
C14C13O06H3120.0°119.9°
C14C13O06H4120.0°120.0°
C13C14C19C18179.1°180.0°
C14C13O06C12113.6°180.0°
C14C13H3H4119.9°120.0°
C13C14C15H50.1°0.0°
C13C14C19H70.9°0.1°
C19C14C13O0662.2°90.1°
C14C19C18H7180.0°179.9°
C19C14C13H357.8°150.0°
C19C14C13H4177.7°29.9°
C19C14C15H5179.9°179.8°
C14C19C18H25179.7°179.8°
C13O06C12O077.6°0.1°
C13O06C12N04171.5°180.0°
O06C13H3H4119.9°120.1°
C19C18C17H24178.7°179.9°
O06C12O07N04179.0°180.0°
O06C12N04C11178.3°180.0°
C12O06C13H36.4°60.1°
C12O06C13H4126.3°60.0°
O06C12N04H231.7°0.0°
O07C12N04C112.5°0.0°
O07C12N04H23177.5°180.0°
C12N04C11H23180.0°180.0°
C12N04C11P01147.1°95.0°
C12N04C11H193.1°25.0°
C12N04C11H227.2°145.0°
N04C11P01H1119.9°120.0°
N04C11P01H2119.9°120.0°
N04C11P01O0584.2°60.0°
N04C11P01O0138.2°60.0°
N04C11P01N01160.8°180.0°
N04C11H1H2120.4°120.0°
C11P01O05O01121.6°120.0°
C11P01O05N01113.7°120.0°
C11P01O01N01117.2°120.0°
C11P01N01C01142.7°175.2°
P01C11H1H2120.4°120.0°
C11P01O01H8122.0°55.0°
C11P01N01H995.6°51.2°
P01C11N04H2332.9°85.0°
O05P01O01N01120.8°120.0°
O05P01N01C0125.4°64.8°
O05P01C11H1156.0°60.0°
O05P01C11H235.7°180.0°
O05P01O01H80.0°175.0°
O05P01N01H9147.2°171.2°
O01P01N01C0197.5°55.2°
O01P01C11H181.6°180.0°
O01P01C11H2158.1°60.0°
O01P01N01H924.2°68.8°
O03C10O02C07179.1°179.7°
O03C10C07N0211.2°0.3°
O03C10C07C08112.5°119.7°
O03C10C07H21129.1°120.3°
O03C10O02H220.0°0.3°
P01N01C01H9121.8°123.9°
P01N01C01C0685.3°144.9°
P01N01C01C02152.5°95.2°
N01P01C11H141.0°60.0°
N01P01C11H279.3°60.0°
N01P01O01H8120.8°65.1°
P01N01C01H1034.3°24.9°
O02C10C07N02167.9°180.0°
O02C10C07C0868.4°60.0°
O02C10C07H2150.0°60.0°
C10C07N02C08124.1°120.0°
C10C07N02H21117.3°120.0°
C10C07C08H21118.4°120.0°
C10C07N02C06131.3°85.0°
C10C07C08C0960.8°175.0°
C10C07N02H2048.7°94.9°
C07C10O02H22179.1°180.0°
C10C07C08H2659.6°65.0°
C10C07C08H27178.8°55.0°
N01C01C06N0235.8°166.2°
N01C01C06O04147.8°13.7°
N01C01C06C02121.6°120.0°
N01C01C06H10120.1°120.0°
N01C01C02H10118.7°120.1°
N01C01C02C03176.5°174.3°
N01C01C02H1155.7°54.3°
N01C01C02H1262.7°65.7°
N02C07C08H21119.2°120.0°
C07N02C06H20180.0°179.9°
C07N02C06O042.0°4.9°
C07N02C06C01178.5°175.1°
N02C07C08C0961.5°65.0°
N02C07C08H26178.1°55.0°
N02C07C08H2758.9°175.0°
C08C07N02C06104.6°155.0°
C07C08C09H26120.4°120.0°
C07C08C09H27120.4°120.0°
C07C08C09N03165.5°180.0°
C08C07N02H2075.4°25.0°
C07C08H26H27118.8°120.0°
C07C08C09H2874.1°60.0°
C07C08C09H2945.1°60.0°
N02C06O04C01176.1°179.9°
N02C06C01C0285.8°73.8°
N02C06C01H10156.0°46.2°
C06N02C07H2114.0°35.0°
O04C06C01C0290.7°106.3°
O04C06C01H1027.6°133.7°
O04C06N02H20178.0°175.0°
C06C01C02H10118.3°120.0°
C06C01C02C0360.5°65.8°
C06C01N01H9152.9°91.2°
C06C01C02H11178.7°174.2°
C06C01C02H1260.3°54.3°
C01C06N02H201.5°5.0°
C01C02C03H11120.8°120.0°
C01C02C03H12120.8°120.0°
C01C02C03C0571.7°173.1°
C01C02C03C04164.4°66.9°
C02C01N01H930.7°28.7°
C01C02H11H12117.5°120.0°
C01C02C03H1346.0°53.1°
C08C09N03H28120.4°120.0°
C08C09N03H29120.4°119.9°
C09C08C07H21179.3°55.0°
C09C08H26H27118.8°120.0°
C08C09H28H29118.8°120.0°
C08C09N03H30180.0°180.0°
C08C09N03H3160.0°56.0°
N03C09C08H2645.1°60.0°
N03C09C08H2774.1°60.0°
N03C09H28H29118.8°120.0°
C09N03H30H31120.0°124.0°
C02C03C05C04123.6°120.0°
C02C03C05H13117.7°120.0°
C02C03C04H13118.4°120.1°
C03C02C01H1057.8°54.2°
C03C02H11H12117.5°120.0°
C02C03C04H14180.0°175.8°
C02C03C04H1560.0°55.8°
C02C03C04H1660.0°64.2°
C02C03C05H17180.0°60.0°
C02C03C05H1860.0°180.0°
C02C03C05H1960.0°60.0°
C05C03C04H13118.5°119.9°
C05C03C02H1149.1°66.9°
C05C03C02H12167.5°53.1°
C05C03C04H1456.9°64.2°
C05C03C04H1563.1°175.8°
C05C03C04H16176.9°55.8°
C03C05H17H18120.0°120.0°
C03C05H17H19120.0°120.0°
C03C05H18H19120.0°120.0°
C04C03C02H1174.8°53.1°
C04C03C02H1243.6°173.1°
C03C04H14H15120.0°120.0°
C03C04H14H16120.0°120.1°
C03C04H15H16120.0°120.0°
C04C03C05H1756.4°180.0°
C04C03C05H18176.3°60.0°
C04C03C05H1963.6°60.0°
H1C11N04H2386.9°155.0°
H2C11N04H23152.8°35.0°
H5C15C16H61.7°0.0°
H6C16C17H242.3°0.0°
H7C19C18H250.3°0.3°
H9N01C01H1087.4°148.8°
H10C01C02H1162.9°65.8°
H10C01C02H12178.6°174.2°
H11C02C03H13166.8°173.1°
H12C02C03H1374.8°66.9°
H13C03C04H1461.6°55.8°
H13C03C04H15178.4°64.3°
H13C03C04H1658.4°175.8°
H13C03C05H1762.2°60.0°
H13C03C05H1857.7°60.0°
H13C03C05H19177.8°180.0°
H14C04H15H16120.0°119.9°
H17C05H18H19120.0°120.0°
H20N02C07H21166.0°145.1°
H21C07C08H2658.9°175.0°
H21C07C08H2760.3°65.0°
H24C17C18H251.3°0.3°
H26C08C09H28165.5°180.0°
H26C08C09H2975.3°59.9°
H27C08C09H2846.3°60.0°
H27C08C09H29165.5°180.0°
H28C09N03H3059.6°60.0°
H28C09N03H31179.6°176.1°
H29C09N03H3059.6°60.1°
H29C09N03H3160.4°63.9°

218853

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