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863

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C10doub1.21Å1.21Å
C13C11sing1.53Å1.54Å
C10N2sing1.35Å1.36Å
C10C11sing1.52Å1.53Å
C7C8sing1.53Å1.52Å
C7N2sing1.47Å1.50Å
C7C9sing1.53Å1.52Å
N2N1sing1.39Å1.37Å
C11C6sing1.51Å1.52Å
C11C12sing1.53Å1.55Å
C19C18sing1.55Å1.49Å
C19C20sing1.55Å1.51Å
N1C6doub1.29Å1.30Å
C6C5sing1.48Å1.47Å
C18C17sing1.54Å1.52Å
C20C16sing1.54Å1.52Å
C16C17sing1.54Å1.53Å
C16O3sing1.43Å1.46Å
C5C14doub1.40Å1.39ÅAromatic
C5C4sing1.40Å1.40ÅAromatic
C14C15sing1.38Å1.38ÅAromatic
O3C15sing1.36Å1.38Å
C4C3doub1.38Å1.39ÅAromatic
C15C2doub1.39Å1.42ÅAromatic
C3C2sing1.39Å1.40ÅAromatic
C2O1sing1.36Å1.37Å
O1C1sing1.43Å1.44Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C12H4sing1.09Å1.10Å
C12H5sing1.09Å1.10Å
C12H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C14H10sing1.08Å1.08Å
C16H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
C3H20sing1.08Å1.08Å
C4H21sing1.08Å1.08Å
C7H22sing1.09Å1.10Å
C8H23sing1.09Å1.10Å
C8H24sing1.09Å1.10Å
C8H25sing1.09Å1.10Å
C9H26sing1.09Å1.10Å
C9H27sing1.09Å1.10Å
C9H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C10N2126.6°127.3°
O2C10C11126.0°127.4°
C13C11C10111.6°110.6°
C13C11C6111.4°110.6°
C13C11C12111.1°110.6°
C11C13H7109.5°109.5°
C11C13H8109.5°109.5°
C11C13H9109.5°109.5°
N2C10C11107.4°105.3°
C10N2C7127.0°124.3°
C10N2N1112.7°111.3°
C10C11C698.0°103.7°
C10C11C12111.9°110.6°
C8C7N2110.8°109.5°
C8C7C9112.0°109.4°
C8C7H22107.9°109.5°
C7C8H23109.5°109.4°
C7C8H24109.4°109.4°
C7C8H25109.4°109.5°
N2C7C9109.9°109.5°
C7N2N1120.3°124.4°
N2C7H22108.2°109.5°
C9C7H22107.9°109.5°
C7C9H26109.5°109.5°
C7C9H27109.4°109.4°
C7C9H28109.5°109.5°
N2N1C6107.6°112.7°
C6C11C12112.2°110.6°
C11C6N1113.7°107.0°
C11C6C5128.1°126.5°
C11C12H4109.5°109.5°
C11C12H5109.4°109.5°
C11C12H6109.4°109.5°
C18C19C20104.5°102.7°
C19C18C17106.6°104.2°
C19C18H14110.2°110.5°
C19C18H15110.2°110.6°
C18C19H16110.7°110.7°
C18C19H17110.7°110.7°
C19C20C16104.3°104.2°
C20C19H16110.7°110.8°
C20C19H17110.7°110.7°
C19C20H18110.8°110.5°
C19C20H19110.7°110.4°
N1C6C5118.2°126.5°
C6C5C14116.0°120.1°
C6C5C4124.5°120.1°
C18C17C16106.2°106.6°
C18C17H12110.3°110.0°
C18C17H13110.3°110.1°
C17C18H14110.1°110.5°
C17C18H15110.1°110.5°
C20C16C17105.2°106.6°
C20C16O3108.4°110.0°
C20C16H11110.7°110.1°
C16C20H18110.7°110.5°
C16C20H19110.7°110.5°
C17C16O3110.2°110.0°
C17C16H11110.5°110.0°
C16C17H12110.3°110.0°
C16C17H13110.3°110.1°
C16O3C15119.7°117.1°
O3C16H11111.6°110.0°
C14C5C4119.4°119.9°
C5C14C15121.0°119.8°
C5C14H10119.5°120.1°
C5C4C3120.4°120.0°
C5C4H21119.8°120.1°
C14C15O3115.3°120.0°
C14C15C2119.9°120.0°
C15C14H10119.5°120.1°
O3C15C2124.7°120.0°
C4C3C2120.4°120.2°
C4C3H20119.8°119.9°
C3C4H21119.8°120.0°
C15C2C3118.9°120.2°
C15C2O1114.9°119.9°
C3C2O1126.2°119.9°
C2C3H20119.8°119.9°
C2O1C1119.8°117.0°
O1C1H1109.5°109.5°
O1C1H2109.5°109.5°
O1C1H3109.5°109.5°
H1C1H2109.5°109.4°
H1C1H3109.4°109.5°
H2C1H3109.5°109.5°
H4C12H5109.5°109.5°
H4C12H6109.5°109.4°
H5C12H6109.5°109.5°
H7C13H8109.4°109.5°
H7C13H9109.5°109.4°
H8C13H9109.5°109.5°
H12C17H13109.5°110.0°
H14C18H15109.5°110.4°
H16C19H17109.4°110.9°
H18C20H19109.5°110.5°
H23C8H24109.5°109.5°
H23C8H25109.5°109.5°
H24C8H25109.5°109.5°
H26C9H27109.5°109.5°
H26C9H28109.5°109.5°
H27C9H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C10C11C1360.9°61.2°
O2C10N2C11179.3°179.8°
O2C10N2C75.8°0.2°
O2C10N2N1174.0°179.8°
O2C10C11C6177.8°179.8°
O2C10C11C1264.3°61.7°
C13C11C10N2119.8°118.6°
C13C11C10C6116.9°118.6°
C13C11C10C12125.2°122.9°
C13C11C6C12125.2°122.9°
C13C11C6N1115.3°118.5°
C13C11C6C563.0°61.4°
C13C11C12H4180.0°61.5°
C13C11C12H560.0°58.6°
C13C11C12H660.0°178.6°
C11C13H7H8120.0°120.1°
C11C13H7H9120.0°120.0°
C11C13H8H9120.0°120.0°
C10N2C7C8161.9°120.1°
C10N2C7N1179.8°180.0°
C10N2C7C973.8°120.0°
N2C10C11C62.9°0.0°
N2C10C11C12115.0°118.5°
C10N2N1C68.0°0.0°
C10N2C7H2243.8°0.0°
C11C10N2C7173.4°180.0°
C11C10N2N16.7°0.0°
C10C11C6C12117.7°118.5°
C10C11C6N11.8°0.0°
C10C11C6C5179.9°180.0°
C10C11C12H454.5°61.4°
C10C11C12H565.5°178.5°
C10C11C12H6174.5°58.5°
C10C11C13H7180.0°58.5°
C10C11C13H860.0°178.6°
C10C11C13H960.0°61.4°
C8C7N2C9124.3°120.0°
C8C7N2H22118.1°120.0°
C8C7C9H22118.7°120.1°
C8C7N2N117.9°60.0°
C7C8H23H24120.0°119.9°
C7C8H23H25120.0°120.0°
C7C8H24H25120.0°120.0°
C8C7C9H26180.0°60.0°
C8C7C9H2760.0°180.0°
C8C7C9H2860.0°60.1°
N2C7C9H22117.8°120.0°
C7N2N1C6172.2°180.0°
N2C7C8H23180.0°180.0°
N2C7C8H2460.0°60.0°
N2C7C8H2560.0°60.0°
N2C7C9H2656.4°59.9°
N2C7C9H2763.6°60.0°
N2C7C9H28176.4°180.0°
C9C7N2N1106.3°60.0°
C9C7C8H2356.9°60.1°
C9C7C8H2463.1°180.0°
C9C7C8H25177.0°60.0°
C7C9H26H27120.0°120.0°
C7C9H26H28120.0°120.0°
C7C9H27H28120.0°119.9°
N2N1C6C115.8°0.0°
N2N1C6C5175.8°180.0°
N1N2C7H22136.1°180.0°
C11C6N1C5178.4°180.0°
C11C6C5C14159.2°179.9°
C11C6C5C424.5°0.5°
C6C11C12H454.6°175.7°
C6C11C12H5174.6°64.3°
C6C11C12H665.5°55.7°
C6C11C13H771.5°55.7°
C6C11C13H8168.5°64.3°
C6C11C13H948.5°175.7°
C12C11C6N1119.5°118.5°
C12C11C6C562.3°61.5°
C11C12H4H5120.0°120.0°
C11C12H4H6120.0°120.0°
C11C12H5H6119.9°120.0°
C12C11C13H754.3°178.6°
C12C11C13H865.7°58.6°
C12C11C13H9174.4°61.5°
C18C19C20H16119.2°118.3°
C18C19C20H17119.2°118.3°
C19C18C17H14119.5°118.7°
C19C18C17H15119.6°118.8°
C18C19C20C1637.1°38.0°
C19C18C17C1611.6°23.6°
C19C18C17H12131.1°95.7°
C19C18C17H13107.8°142.9°
C19C18H14H15121.3°122.6°
C18C19H16H17122.3°123.3°
C18C19C20H18156.2°80.8°
C18C19C20H1982.1°156.6°
C20C19C18C1730.1°37.9°
C19C20C16H18119.2°118.7°
C19C20C16H19119.2°118.6°
C19C20C16C1729.6°23.7°
C19C20C16O3147.4°142.9°
C19C20C16H1189.8°95.7°
C20C19C18H1489.4°156.7°
C20C19C18H15149.7°80.8°
C20C19H16H17122.3°123.4°
C19C20H18H19122.4°122.6°
N1C6C5C1418.9°0.0°
N1C6C5C4157.3°179.5°
C6C5C14C4176.5°179.4°
C6C5C14C15178.4°180.0°
C6C5C4C3177.6°180.0°
C6C5C14H101.6°0.3°
C6C5C4H212.4°0.2°
C18C17C16C2011.2°0.1°
C18C17C16H12119.5°119.2°
C18C17C16H13119.5°119.4°
C18C17C16O3127.9°119.3°
C18C17C16H11108.3°119.3°
C18C17H12H13121.6°121.5°
C17C18H14H15121.3°122.5°
C17C18C19H1689.1°80.4°
C17C18C19H17149.3°156.2°
C20C16C17O3116.7°119.3°
C20C16C17H11119.6°119.4°
C20C16O3H11122.2°121.4°
C20C16O3C15162.5°87.0°
C20C16C17H12108.2°119.3°
C20C16C17H13130.7°119.3°
C16C20C19H1682.2°80.3°
C16C20C19H17156.3°156.2°
C16C20H18H19122.4°122.6°
C17C16O3H11123.2°121.4°
C17C16O3C1582.8°155.8°
C16C17H12H13121.5°121.4°
C16C17C18H14107.9°142.3°
C16C17C18H15131.2°95.2°
C17C16C20H18148.8°95.0°
C17C16C20H1989.6°142.3°
C16O3C15C1428.5°5.6°
C16O3C15C2150.5°174.5°
O3C16C17H128.4°121.4°
O3C16C17H13112.7°0.1°
O3C16C20H1893.4°24.2°
O3C16C20H1928.3°98.4°
C5C14C15H10180.0°179.7°
C5C14C15O3178.3°179.8°
C14C5C4C31.5°0.6°
C5C14C15C20.8°0.3°
C14C5C4H21178.6°179.6°
C4C5C14C151.9°0.6°
C5C4C3H21180.0°179.8°
C5C4C3C20.2°0.3°
C4C5C14H10178.1°179.7°
C5C4C3H20179.8°179.7°
C14C15O3C2179.0°179.9°
C14C15C2C30.9°0.1°
C14C15C2O1179.0°179.9°
O3C15C2C3179.8°180.0°
O3C15C2O10.0°0.0°
O3C15C14H101.7°0.1°
C15O3C16H1140.3°34.4°
C4C3C2C151.3°0.1°
C4C3C2H20180.0°180.0°
C4C3C2O1178.5°180.0°
C15C2C3O1179.8°180.0°
C15C2O1C1149.0°179.9°
C2C15C14H10179.3°180.0°
C15C2C3H20178.7°179.9°
C3C2O1C130.9°0.0°
C2C3C4H21179.8°179.9°
C2O1C1H1180.0°180.0°
C2O1C1H260.0°60.0°
C2O1C1H360.0°60.0°
O1C2C3H201.5°0.0°
O1C1H1H2120.0°120.0°
O1C1H1H3120.0°120.0°
O1C1H2H3120.0°120.0°
H1C1H2H3120.0°120.0°
H4C12H5H6120.0°120.0°
H7C13H8H9120.0°119.9°
H11C16C17H12132.2°0.1°
H11C16C17H1311.1°121.3°
H11C16C20H1829.4°145.6°
H11C16C20H19151.0°22.9°
H12C17C18H1411.5°23.1°
H12C17C18H15109.4°145.5°
H13C17C18H14132.6°98.4°
H13C17C18H1511.7°24.1°
H14C18C19H16151.4°38.3°
H14C18C19H1729.8°85.1°
H15C18C19H1630.5°160.9°
H15C18C19H1791.1°37.5°
H16C19C20H1837.0°161.0°
H16C19C20H19158.7°38.3°
H17C19C20H1884.5°37.5°
H17C19C20H1937.1°85.1°
H20C3C4H210.2°0.1°
H22C7C8H2361.7°60.0°
H22C7C8H24178.3°60.0°
H22C7C8H2558.3°180.0°
H22C7C9H2661.3°179.9°
H22C7C9H27178.7°60.0°
H22C7C9H2858.7°60.0°
H23C8H24H25120.0°120.1°
H26C9H27H28120.0°120.0°

222415

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