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76V

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10C11sing1.53Å1.52Å
C10O3sing1.45Å1.46Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C11H113sing1.09Å1.10Å
C9O2doub1.21Å1.23Å
C9O3sing1.34Å1.40Å
C9C2sing1.51Å1.54Å
C3C2sing1.53Å1.54Å
C3O1sing1.43Å2.41Å
C3C4sing1.51Å1.52Å
C3H3sing1.09Å1.10Å
C2O1sing1.43Å1.44Å
C2H2sing1.09Å1.10Å
C4O4doub1.21Å1.24Å
C4N1sing1.35Å1.34Å
N1C5sing1.46Å1.50Å
N1HN1sing0.97Å1.00Å
C5C6sing1.51Å1.57Å
C5C12sing1.53Å1.59Å
C5H5sing1.09Å1.10Å
C6O5doub1.21Å1.23Å
C6N2sing1.35Å1.34Å
C12C14sing1.53Å1.57Å
C12C13sing1.53Å1.56Å
C12H12sing1.09Å1.10Å
C14C15sing1.53Å1.54Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H133sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C15H153sing1.09Å1.10Å
N2C7sing1.47Å1.49Å
N2HN2sing0.97Å1.00Å
C7C8sing1.51Å1.55Å
C7C16sing1.53Å1.59Å
C7H7sing1.09Å1.10Å
C8O7sing1.34Å1.22Å
C8O6doub1.21Å1.36Å
O7HO7sing0.97Å0.95Å
C16C18sing1.53Å1.56Å
C16C17sing1.53Å1.55Å
C16H16sing1.09Å1.10Å
C18C19sing1.53Å1.54Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H173sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C10O3108.7°109.5°
C11C10H101109.9°109.5°
C11C10H102109.7°109.5°
C10C11H111109.5°109.5°
C10C11H112109.5°109.5°
C10C11H113109.5°109.5°
O3C10H101109.9°109.5°
O3C10H102109.7°109.5°
C10O3C9119.1°120.0°
H101C10H102108.9°109.4°
H111C11H112109.5°109.4°
H111C11H113109.4°109.5°
H112C11H113109.5°109.5°
O2C9O3126.2°120.0°
O2C9C2121.3°120.0°
O3C9C2112.5°120.0°
C9C2C3112.6°117.8°
C9C2O1110.7°117.7°
C9C2H2105.9°115.7°
C2C3O134.6°57.6°
C2C3C4115.1°117.8°
C2C3H3137.2°117.8°
C3C2O1107.8°57.7°
C3C2H2108.9°117.8°
O1C3C494.7°117.8°
O1C3H3156.0°117.8°
C3O1C237.5°64.7°
C4C3H3105.0°115.7°
C3C4O4119.6°120.0°
C3C4N1116.8°120.0°
O1C2H2110.9°117.8°
O4C4N1123.7°120.0°
C4N1C5122.6°120.0°
C4N1HN1118.7°120.0°
C5N1HN1118.7°120.0°
N1C5C6107.8°109.5°
N1C5C12108.8°109.5°
N1C5H5112.4°109.5°
C6C5C12113.2°109.4°
C6C5H5107.9°109.5°
C5C6O5121.5°120.0°
C5C6N2116.3°120.0°
C12C5H5106.9°109.4°
C5C12C14113.9°109.5°
C5C12C13111.6°109.5°
C5C12H12104.0°109.5°
O5C6N2122.1°120.0°
C6N2C7123.0°120.0°
C6N2HN2118.5°120.0°
C14C12C13106.9°109.5°
C14C12H12109.0°109.5°
C12C14C15115.4°109.5°
C12C14H141106.2°109.5°
C12C14H142107.6°109.4°
C13C12H12111.4°109.5°
C12C13H131109.5°109.5°
C12C13H132109.5°109.5°
C12C13H133109.5°109.5°
C15C14H141106.2°109.5°
C15C14H142107.5°109.5°
C14C15H151109.5°109.5°
C14C15H152109.5°109.4°
C14C15H153109.5°109.4°
H141C14H142114.2°109.4°
H131C13H132109.5°109.5°
H131C13H133109.5°109.4°
H132C13H133109.4°109.5°
H151C15H152109.5°109.5°
H151C15H153109.5°109.5°
H152C15H153109.5°109.5°
C7N2HN2118.5°120.0°
N2C7C8105.8°109.4°
N2C7C16108.2°109.5°
N2C7H7114.9°109.5°
C8C7C16115.5°109.5°
C8C7H7107.7°109.5°
C7C8O7123.3°120.0°
C7C8O6114.3°120.0°
C16C7H7105.1°109.5°
C7C16C18112.7°109.5°
C7C16C17113.0°109.4°
C7C16H16103.5°109.4°
O7C8O6122.4°120.0°
C8O7HO7109.5°120.0°
C18C16C17105.5°109.5°
C18C16H16111.3°109.5°
C16C18C19115.5°109.5°
C16C18H181106.1°109.5°
C16C18H182107.5°109.5°
C17C16H16110.9°109.4°
C16C17H171109.5°109.5°
C16C17H172109.5°109.5°
C16C17H173109.5°109.5°
C19C18H181106.1°109.5°
C19C18H182107.6°109.5°
C18C19H191109.5°109.4°
C18C19H192109.5°109.5°
C18C19H193109.5°109.5°
H181C18H182114.3°109.4°
H171C17H172109.5°109.5°
H171C17H173109.4°109.4°
H172C17H173109.5°109.4°
H191C19H192109.5°109.4°
H191C19H193109.5°109.5°
H192C19H193109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C10O3H101120.3°120.0°
C11C10O3H102120.0°120.0°
C11C10H101H102120.2°120.0°
C10C11H111H112120.0°120.0°
C10C11H111H113120.0°120.1°
C10C11H112H113120.0°120.0°
C11C10O3C9108.3°179.9°
O3C10H101H102120.2°120.0°
O3C10C11H1110.0°60.0°
O3C10C11H112120.0°60.0°
O3C10C11H113120.0°180.0°
C10O3C9O23.8°0.1°
C10O3C9C2176.6°180.0°
H101C10C11H111120.3°60.1°
H101C10C11H1120.3°180.0°
H101C10C11H113119.7°60.0°
H101C10O3C912.0°60.0°
H102C10C11H111120.0°180.0°
H102C10C11H112120.0°60.0°
H102C10C11H1130.0°60.0°
H102C10O3C9131.7°60.0°
H111C11H112H113120.0°120.0°
O2C9O3C2179.6°179.9°
O2C9C2C3130.4°113.7°
O2C9C2O1108.8°47.6°
O2C9C2H211.4°99.3°
O3C9C2C349.2°66.4°
O3C9C2O171.6°132.5°
O3C9C2H2168.1°80.6°
C9C2C3O1122.4°106.8°
C9C2C3H2117.2°146.3°
C9C2C3C4178.9°146.3°
C9C2C3H320.9°0.0°
C9C2O1H2117.2°146.2°
C2C3O1C4129.1°106.9°
C2C3O1H385.5°106.9°
C2C3C4H3164.7°147.0°
C3C2O1H2119.2°106.9°
C2C3C4O462.2°112.4°
C2C3C4N1118.1°67.6°
O1C3C4H3166.2°147.0°
O1C3C4O491.3°46.4°
O1C3C4N189.0°133.6°
C4C3C2H261.7°0.0°
C3C4O4N1179.7°180.0°
C3C4N1C5139.4°180.0°
C3C4N1HN140.6°0.1°
H3C3C2H296.3°146.3°
H3C3C4O4102.5°100.6°
H3C3C4N177.2°79.4°
O4C4N1C540.9°0.0°
O4C4N1HN1139.2°179.9°
C4N1C5HN1180.0°179.9°
C4N1C5C686.6°155.0°
C4N1C5C12150.2°85.0°
C4N1C5H532.1°35.0°
N1C5C6C12120.4°120.0°
N1C5C6H5121.5°120.1°
N1C5C12H5121.5°120.0°
N1C5C6O50.8°0.0°
N1C5C6N2178.9°180.0°
N1C5C12C1460.3°60.0°
N1C5C12C1360.8°60.0°
N1C5C12H12178.9°180.0°
HN1N1C5C693.4°24.9°
HN1N1C5C1229.8°95.1°
HN1N1C5H5147.9°144.9°
C6C5C12H5118.6°119.9°
C5C6O5N2179.7°180.0°
C6C5C12C1459.5°60.0°
C6C5C12C13179.3°180.0°
C6C5C12H1259.1°60.0°
C5C6N2C7171.2°180.0°
C5C6N2HN28.8°0.0°
C12C5C6O5119.6°120.0°
C12C5C6N260.7°60.0°
C5C12C14C13123.8°120.0°
C5C12C14H12115.6°120.0°
C5C12C13H12115.8°120.0°
C5C12C14C15122.7°175.0°
C5C12C14H1415.4°64.9°
C5C12C14H142117.3°55.0°
C5C12C13H131128.6°180.0°
C5C12C13H132111.4°60.0°
C5C12C13H1338.6°60.0°
H5C5C6O5122.3°120.1°
H5C5C6N257.4°59.9°
H5C5C12C14178.1°180.0°
H5C5C12C1360.7°60.0°
H5C5C12H1259.5°60.0°
O5C6N2C78.5°0.0°
O5C6N2HN2171.5°180.0°
C6N2C7HN2180.0°180.0°
C6N2C7C8103.6°85.0°
C6N2C7C16132.2°155.0°
C6N2C7H715.0°35.0°
C14C12C13H12119.0°120.0°
C12C14C15H141117.3°120.0°
C12C14C15H142120.0°120.0°
C12C14H141H142118.4°119.9°
C14C12C13H131106.2°60.0°
C14C12C13H13213.8°180.0°
C14C12C13H133133.8°60.0°
C12C14C15H1511.4°60.0°
C12C14C15H152118.6°60.1°
C12C14C15H153121.4°180.0°
C13C12C14C15113.5°65.1°
C13C12C14H141129.2°55.0°
C13C12C14H1426.5°174.9°
C12C13H131H132120.0°120.0°
C12C13H131H133120.0°120.0°
C12C13H132H133120.0°120.0°
H12C12C14C157.1°55.0°
H12C12C14H141110.2°175.1°
H12C12C14H142127.1°65.0°
H12C12C13H13112.9°60.0°
H12C12C13H132132.9°60.0°
H12C12C13H133107.2°NaN°
C15C14H141H142118.3°120.0°
C14C15H151H152120.0°120.0°
C14C15H151H153120.0°120.0°
C14C15H152H153120.0°119.9°
H141C14C15H151118.7°180.0°
H141C14C15H1521.3°60.0°
H141C14C15H153121.3°60.0°
H142C14C15H151118.6°60.0°
H142C14C15H152121.4°180.0°
H142C14C15H1531.4°60.0°
H131C13H132H133120.0°119.9°
H151C15H152H153120.0°120.1°
N2C7C8C16119.6°120.0°
N2C7C8H7123.3°120.0°
N2C7C16H7123.3°120.0°
N2C7C8O70.6°180.0°
N2C7C8O6178.9°0.0°
N2C7C16C1860.9°175.0°
N2C7C16C17179.6°65.0°
N2C7C16H1659.5°54.9°
HN2N2C7C876.4°95.0°
HN2N2C7C1647.8°25.0°
HN2N2C7H7165.0°145.0°
C8C7C16H7118.4°120.0°
C7C8O7O6179.4°180.0°
C7C8O7HO7179.4°180.0°
C8C7C16C18179.2°65.0°
C8C7C16C1761.3°55.0°
C8C7C16H1658.8°174.9°
C16C7C8O7119.1°60.0°
C16C7C8O661.5°120.0°
C7C16C18C17123.8°120.0°
C7C16C18H16115.8°120.0°
C7C16C17H16115.7°119.9°
C7C16C18C19132.2°175.0°
C7C16C18H18114.9°65.0°
C7C16C18H182107.8°55.0°
C7C16C17H171169.8°60.0°
C7C16C17H17249.8°60.1°
C7C16C17H17370.3°180.0°
H7C7C8O7123.9°60.0°
H7C7C8O655.5°120.0°
H7C7C16C1862.4°55.0°
H7C7C16C1757.2°175.0°
H7C7C16H16177.2°65.1°
O6C8O7HO70.0°0.1°
C18C16C17H16120.7°120.1°
C16C18C19H181117.3°120.0°
C16C18C19H182120.0°120.0°
C16C18H181H182118.3°120.0°
C18C16C17H17146.2°180.0°
C18C16C17H17273.8°59.9°
C18C16C17H173166.2°60.0°
C16C18C19H1914.2°180.0°
C16C18C19H192115.8°60.0°
C16C18C19H193124.2°60.0°
C17C16C18C19104.0°65.0°
C17C16C18H181138.7°55.0°
C17C16C18H18216.0°175.0°
C16C17H171H172120.0°120.0°
C16C17H171H173120.0°120.0°
C16C17H172H173120.1°119.9°
H16C16C18C1916.4°55.0°
H16C16C18H181100.9°175.0°
H16C16C18H182136.4°65.0°
H16C16C17H17174.5°59.9°
H16C16C17H172165.5°180.0°
H16C16C17H17345.5°60.1°
C19C18H181H182118.4°120.0°
C18C19H191H192120.0°120.0°
C18C19H191H193120.0°120.0°
C18C19H192H193120.0°120.0°
H181C18C19H191121.5°60.0°
H181C18C19H1921.4°179.9°
H181C18C19H193118.5°60.0°
H182C18C19H191115.8°60.0°
H182C18C19H192124.2°60.0°
H182C18C19H1934.2°180.0°
H171C17H172H173119.9°120.0°
H191C19H192H193120.0°120.0°

222624

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