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WA7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N6N5doub1.12Å1.48Å
N5N4doub1.12Å1.39Å
O5C4sing1.43Å1.40Å
C14C13doub1.35Å1.36ÅAromatic
C14C15sing1.48Å1.38ÅAromatic
C9C10sing1.53Å1.56Å
C9C8sing1.53Å1.52Å
C13C12sing1.41Å1.39ÅAromatic
C11C10sing1.53Å1.53Å
C11N2sing1.46Å1.43Å
N1C8sing1.47Å1.48Å
N1C5sing1.47Å1.41Å
N4C15sing1.30Å1.44Å
C15C16doub1.48Å1.37ÅAromatic
C12N2sing1.36Å1.45Å
C12C17doub1.41Å1.36ÅAromatic
C4C5sing1.53Å1.51Å
C4C3sing1.53Å1.49Å
C5C6sing1.53Å1.51Å
C16C17sing1.35Å1.38ÅAromatic
C17N3sing1.48Å1.44Å
O4C3sing1.43Å1.35Å
C3C2sing1.53Å1.49Å
C6C1sing1.53Å1.50Å
O7N3sing1.32Å1.44Å
N3O6doub1.32Å1.45Å
O2C1sing1.43Å1.38Å
C2C1sing1.53Å1.52Å
C2O3sing1.43Å1.37Å
C1C7sing1.53Å1.57Å
C7O1sing1.43Å1.34Å
N1H1sing1.01Å1.00Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
C8H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C13H13sing1.08Å1.08Å
C11H14sing1.09Å1.10Å
C11H15sing1.09Å1.10Å
C14H16sing1.08Å1.08Å
C16H17sing1.08Å1.08Å
C2H18sing1.09Å1.10Å
C3H19sing1.09Å1.10Å
C9H20sing1.09Å1.10Å
C9H21sing1.09Å1.10Å
N2H22sing0.97Å1.00Å
O1H27sing0.97Å0.95Å
O2H28sing0.97Å0.95Å
O3H29sing0.97Å0.95Å
O4H30sing0.97Å0.95Å
O5H31sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N6N5N4114.7°179.9°
N5N4C15123.5°120.0°
O5C4C5107.4°109.5°
O5C4C3113.2°109.5°
O5C4H3109.9°109.4°
C4O5H31109.5°114.0°
C13C14C15120.5°119.1°
C14C13C12120.0°120.8°
C14C13H13120.0°119.6°
C13C14H16119.8°120.5°
C14C15N4119.7°120.7°
C14C15C16118.6°118.5°
C15C14H16119.7°120.5°
C10C9C8114.0°109.5°
C9C10C11109.9°109.5°
C9C10H11109.4°109.4°
C9C10H12109.3°109.4°
C10C9H20108.3°109.5°
C10C9H21108.3°109.5°
C9C8N1108.0°109.5°
C9C8H9109.9°109.5°
C9C8H10109.8°109.5°
C8C9H20108.4°109.5°
C8C9H21108.3°109.4°
C13C12N2116.4°119.1°
C13C12C17120.5°121.7°
C12C13H13120.0°119.6°
C10C11N2111.6°109.5°
C11C10H11109.3°109.5°
C11C10H12109.4°109.5°
C10C11H14108.9°109.4°
C10C11H15108.9°109.5°
C11N2C12113.7°120.0°
N2C11H14108.9°109.5°
N2C11H15108.9°109.5°
C11N2H22108.4°120.0°
C8N1C5112.2°111.0°
C8N1H1108.8°111.0°
N1C8H9109.8°109.4°
N1C8H10109.8°109.5°
N1C5C4106.8°109.4°
N1C5C6112.6°109.5°
C5N1H1108.8°111.0°
N1C5H4109.6°109.4°
N4C15C16121.7°120.8°
C15C16C17121.6°119.1°
C15C16H17119.2°120.4°
N2C12C17123.1°119.2°
C12N2H22108.4°120.0°
C12C17C16118.8°120.8°
C12C17N3123.7°119.6°
C5C4C3109.1°109.5°
C4C5C6111.3°109.4°
C5C4H3108.5°109.5°
C4C5H4108.3°109.5°
C4C3O4108.2°109.5°
C4C3C2111.6°109.4°
C3C4H3108.7°109.5°
C4C3H19108.9°109.5°
C5C6C1115.7°109.5°
C6C5H4108.2°109.5°
C5C6H5107.9°109.4°
C5C6H6107.9°109.4°
C16C17N3117.4°119.6°
C17C16H17119.2°120.5°
C17N3O7116.1°120.0°
C17N3O6125.2°120.0°
O4C3C2108.2°109.5°
O4C3H19111.0°109.5°
C3O4H30109.5°114.0°
C3C2C1110.6°109.5°
C3C2O3108.2°109.4°
C3C2H18109.2°109.5°
C2C3H19108.9°109.5°
C6C1O2105.4°109.5°
C6C1C2113.1°109.5°
C6C1C7109.8°109.4°
C1C6H5107.9°109.5°
C1C6H6107.9°109.5°
O7N3O6118.6°120.0°
O2C1C2107.9°109.5°
O2C1C7109.7°109.5°
C1O2H28109.5°114.0°
C1C2O3108.9°109.5°
C2C1C7110.7°109.5°
C1C2H18108.9°109.5°
O3C2H18111.0°109.5°
C2O3H29109.5°114.0°
C1C7O1109.6°109.5°
C1C7H7109.4°109.5°
C1C7H8109.4°109.5°
O1C7H7109.4°109.4°
O1C7H8109.4°109.4°
C7O1H27109.5°114.1°
H5C6H6109.5°109.5°
H7C7H8109.5°109.5°
H9C8H10109.5°109.4°
H11C10H12109.5°109.5°
H14C11H15109.5°109.4°
H20C9H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N6N5N4C1582.1°3.0°
N5N4C15C1477.7°0.3°
N5N4C15C16102.5°180.0°
O5C4C5N155.4°60.0°
O5C4C5C3123.0°120.0°
O5C4C5H3118.8°119.9°
O5C4C3H3122.4°120.0°
O5C4C5C6178.6°180.0°
O5C4C3O458.3°60.0°
O5C4C3C2177.2°180.0°
O5C4C5H462.5°59.9°
O5C4C3H1962.5°60.0°
C13C14C15H16180.0°180.0°
C14C13C12H13180.0°179.7°
C13C14C15N4180.0°179.7°
C13C14C15C160.1°0.0°
C14C13C12N2179.7°179.8°
C14C13C12C171.4°0.3°
C15C14C13C120.2°0.0°
C14C15N4C16179.9°179.7°
C14C15C16C170.7°0.3°
C15C14C13H13179.8°179.7°
C14C15C16H17179.3°180.0°
C10C9C8H20120.7°120.0°
C10C9C8H21120.6°120.0°
C9C10C11H11120.1°120.0°
C9C10C11H12120.0°120.0°
C9C10C11N2153.0°180.0°
C10C9C8N1152.9°180.0°
C10C9C8H987.3°60.0°
C10C9C8H1033.1°60.0°
C9C10H11H12119.8°120.0°
C9C10C11H1432.7°60.0°
C9C10C11H1586.7°60.0°
C10C9H20H21117.9°120.0°
C8C9C10C11109.8°180.0°
C9C8N1H9119.8°120.1°
C9C8N1H10119.8°120.0°
C9C8N1C5159.1°180.0°
C9C8N1H180.5°56.0°
C9C8H9H10120.7°120.0°
C8C9C10H11130.1°60.0°
C8C9C10H1210.3°60.0°
C8C9H20H21118.0°120.0°
C13C12N2C112.4°6.0°
C13C12N2C17178.2°179.9°
C13C12C17C162.2°0.6°
C13C12C17N3179.6°180.0°
C12C13C14H16179.8°180.0°
C13C12N2H22123.0°174.0°
C10C11N2H14120.3°120.0°
C10C11N2H15120.3°120.1°
C10C11N2C12155.0°179.9°
C11C10H11H12119.8°120.1°
C10C11H14H15119.0°120.0°
C11C10C9H20129.5°60.1°
C11C10C9H2110.8°60.0°
C10C11N2H2284.4°0.0°
C11N2C12H22120.6°179.9°
C11N2C12C17179.4°173.9°
N2C11C10H1186.9°60.0°
N2C11C10H1232.9°60.1°
N2C11H14H15119.0°120.0°
C8N1C5H1120.4°124.0°
C8N1C5C4157.2°85.0°
C8N1C5C634.8°155.0°
C8N1C5H485.7°35.0°
N1C8H9H10120.7°120.0°
N1C8C9H2032.2°60.0°
N1C8C9H2186.5°60.0°
N1C5C4C6123.3°120.0°
N1C5C4H4117.9°119.9°
N1C5C4C367.6°60.0°
N1C5C6H4121.3°120.0°
N1C5C6C172.8°60.0°
N1C5C4H3174.2°179.9°
N1C5C6H5166.3°180.0°
N1C5C6H648.2°60.0°
C5N1C8H939.3°59.9°
C5N1C8H1081.1°60.0°
N4C15C16C17179.1°180.0°
N4C15C14H160.0°0.3°
N4C15C16H170.9°0.3°
C15C16C17C121.9°0.6°
C15C16C17H17180.0°179.7°
C15C16C17N3179.5°180.0°
C16C15C14H16179.9°180.0°
N2C12C17C16179.7°179.5°
N2C12C17N32.2°0.1°
N2C12C13H130.3°0.1°
C12N2C11H1434.6°60.0°
C12N2C11H1584.7°60.0°
C12C17C16N3177.6°179.4°
C12C17N3O7134.3°141.7°
C12C17N3O646.2°38.4°
C17C12C13H13178.6°180.0°
C12C17C16H17178.1°179.7°
C17C12N2H2258.8°6.1°
C5C4C3H3118.1°120.0°
C4C5C6H4118.8°120.0°
C5C4C3O4177.8°180.0°
C5C4C3C263.3°60.0°
C4C5C6C147.1°60.0°
C4C5N1H136.9°151.0°
C4C5C6H573.8°60.1°
C4C5C6H6168.0°180.0°
C5C4C3H1957.0°60.0°
C5C4O5H31180.0°180.0°
C3C4C5C655.6°60.0°
C4C3O4C2121.1°120.0°
C4C3O4H19119.5°120.0°
C4C3C2H19120.3°120.0°
C4C3C2C158.9°60.0°
C4C3C2O3178.1°180.0°
C3C4C5H4174.4°180.0°
C4C3C2H1861.0°60.0°
C4C3O4H30180.0°60.0°
C3C4O5H3159.5°60.0°
C5C6C1H5120.9°120.0°
C5C6C1H6120.9°120.0°
C5C6C1O274.7°60.0°
C5C6C1C243.0°60.0°
C5C6C1C7167.2°180.0°
C6C5N1H185.6°31.0°
C6C5C4H362.6°60.1°
C5C6H5H6117.2°119.9°
C16C17N3O743.1°37.8°
C16C17N3O6136.3°142.2°
C17N3O7O6179.5°180.0°
N3C17C16H170.5°0.3°
O4C3C2H19120.7°120.0°
O4C3C2C1177.8°180.0°
O4C3C2O363.0°60.0°
O4C3C4H364.1°60.0°
O4C3C2H1858.0°60.0°
C3C2C1C647.5°60.0°
C3C2C1O268.7°60.0°
C3C2C1O3118.8°120.0°
C3C2C1H18120.0°120.1°
C3C2O3H18119.8°120.0°
C3C2C1C7171.2°180.0°
C2C3C4H354.8°60.0°
C3C2O3H29180.0°60.0°
C2C3O4H3058.9°180.0°
C6C1O2C2121.2°120.0°
C6C1O2C7118.1°120.0°
C6C1C2C7123.7°120.0°
C6C1C2O3166.3°180.0°
C6C1C7O154.3°175.0°
C1C6C5H4166.0°180.0°
C1C6H5H6117.1°120.1°
C6C1C7H765.7°55.0°
C6C1C7H8174.3°65.0°
C6C1C2H1872.5°60.0°
C6C1O2H28180.0°180.0°
O2C1C2C7120.1°120.0°
O2C1C2O350.1°60.0°
O2C1C7O1169.7°65.0°
O2C1C6H5164.3°180.0°
O2C1C6H646.2°60.0°
O2C1C7H749.7°175.0°
O2C1C7H870.3°55.0°
O2C1C2H18171.3°180.0°
C1C2O3H18119.8°120.0°
C2C1C7O171.3°55.1°
C2C1C6H578.0°60.0°
C2C1C6H6163.9°180.0°
C2C1C7H7168.7°64.9°
C2C1C7H848.7°175.0°
C1C2C3H1961.5°60.0°
C2C1O2H2858.8°60.0°
C1C2O3H2959.7°180.0°
O3C2C1C770.0°60.0°
O3C2C3H1957.7°60.0°
C1C7O1H7120.0°120.0°
C1C7O1H8120.0°120.0°
C7C1C6H546.3°60.0°
C7C1C6H671.9°60.0°
C1C7H7H8120.0°120.1°
C7C1C2H1851.2°59.9°
C1C7O1H27180.0°180.0°
C7C1O2H2861.9°60.0°
O1C7H7H8120.0°119.9°
H1N1C5H4153.9°89.0°
H1N1C8H9159.7°64.0°
H1N1C8H1039.3°176.0°
H3C4C5H456.2°60.0°
H3C4C3H19175.1°180.0°
H3C4O5H3162.2°60.0°
H4C5C6H545.1°60.0°
H4C5C6H673.1°60.0°
H7C7O1H2760.0°59.9°
H8C7O1H2760.0°60.0°
H9C8C9H20152.0°180.0°
H9C8C9H2133.3°60.0°
H10C8C9H2087.5°60.0°
H10C8C9H21153.8°179.9°
H11C10C11H14152.7°60.0°
H11C10C11H1533.4°179.9°
H11C10C9H209.4°60.0°
H11C10C9H21109.2°179.9°
H12C10C11H1487.4°179.9°
H12C10C11H15153.3°60.0°
H12C10C9H20110.4°180.0°
H12C10C9H21130.9°59.9°
H13C13C14H160.2°0.3°
H14C11N2H22155.3°120.0°
H15C11N2H2235.9°120.1°
H18C2C3H19178.7°180.0°
H18C2O3H2960.2°60.0°
H19C3O4H3060.5°59.9°

222415

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