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2OD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C18sing1.54Å1.56Å
C19C16sing1.53Å1.57Å
N3C15sing1.37Å1.35Å
C12C13sing1.55Å1.55Å
C12C11sing1.55Å1.56Å
C13C14sing1.54Å1.53Å
C15N2doub1.30Å1.33Å
C15C16sing1.51Å1.55Å
C18C17sing1.54Å1.55Å
N2C5sing1.37Å1.40Å
C16C4sing1.50Å1.51Å
C16C17sing1.53Å1.57Å
C11N1sing1.48Å1.50Å
C4C5doub1.40Å1.44ÅAromatic
C4C3sing1.37Å1.39ÅAromatic
C5C6sing1.40Å1.40ÅAromatic
C14N1sing1.47Å1.51Å
N1C10sing1.47Å1.50Å
C3C2doub1.39Å1.43ÅAromatic
C6C7doub1.38Å1.44ÅAromatic
C2C7sing1.39Å1.47ÅAromatic
C2O1sing1.36Å1.38Å
C7O2sing1.36Å1.39Å
C8O2sing1.43Å1.47Å
C8C9sing1.53Å1.55Å
O1C1sing1.43Å1.43Å
C10C9sing1.53Å1.56Å
N3H2sing0.97Å1.00Å
N3H3sing0.97Å1.00Å
C6H4sing1.08Å1.08Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C3H17sing1.08Å1.08Å
C1H18sing1.09Å1.10Å
C1H19sing1.09Å1.10Å
C1H20sing1.09Å1.10Å
C9H21sing1.09Å1.10Å
C9H22sing1.09Å1.10Å
C14H23sing1.09Å1.10Å
C14H24sing1.09Å1.10Å
C12H25sing1.09Å1.10Å
C12H26sing1.09Å1.10Å
C11H27sing1.09Å1.10Å
C11H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C19C1689.7°86.8°
C19C18C1790.1°87.3°
C18C19H13114.2°113.7°
C18C19H14114.1°113.7°
C19C18H15114.1°113.6°
C19C18H16114.1°113.6°
C19C16C15116.8°116.0°
C19C16C4121.1°116.1°
C19C16C1789.0°88.1°
C16C19H13114.2°113.7°
C16C19H14114.2°113.6°
N3C15N2121.3°126.4°
N3C15C16122.6°126.5°
C15N3H2120.0°120.0°
C15N3H3120.0°120.0°
C13C12C11105.6°101.7°
C12C13C14103.1°103.0°
C12C13H9111.1°110.8°
C12C13H10111.0°110.9°
C13C12H25110.5°111.0°
C13C12H26110.4°110.9°
C12C11N1105.3°104.8°
C11C12H25110.4°111.1°
C11C12H26110.4°111.0°
C12C11H27110.5°110.4°
C12C11H28110.5°110.3°
C13C14N1102.6°107.2°
C14C13H9111.0°110.7°
C14C13H10111.0°110.7°
C13C14H23111.2°109.9°
C13C14H24111.2°109.9°
N2C15C16116.1°107.1°
C15N2C5105.7°113.7°
C15C16C497.8°104.4°
C15C16C17117.3°116.1°
C18C17C1689.8°86.8°
C18C17H11114.1°113.7°
C18C17H12114.1°113.8°
C17C18H15114.1°113.6°
C17C18H16114.1°113.5°
N2C5C4112.1°110.1°
N2C5C6125.0°131.1°
C4C16C17116.6°116.4°
C16C4C5108.1°104.8°
C16C4C3130.5°134.3°
C16C17H11114.1°113.6°
C16C17H12114.1°113.6°
C11N1C14104.8°108.6°
C11N1C10115.8°110.9°
N1C11H27110.5°110.4°
N1C11H28110.5°110.3°
C5C4C3121.3°120.9°
C4C5C6122.8°118.8°
C4C3C2118.2°120.0°
C4C3H17120.9°120.0°
C5C6C7116.5°120.2°
C5C6H4121.7°119.9°
C14N1C10116.2°111.0°
N1C14H23111.2°109.8°
N1C14H24111.2°109.9°
N1C10C9115.7°109.5°
N1C10H7107.9°109.5°
N1C10H8107.9°109.4°
C3C2C7120.3°119.8°
C3C2O1124.2°120.1°
C2C3H17120.9°120.0°
C6C7C2120.8°120.3°
C6C7O2118.7°119.9°
C7C6H4121.7°119.9°
C7C2O1115.5°120.1°
C2C7O2120.5°119.8°
C2O1C1121.4°117.0°
C7O2C8116.6°117.0°
O2C8C9109.1°109.5°
O2C8H5109.6°109.5°
O2C8H6109.6°109.5°
C8C9C10114.6°109.5°
C9C8H5109.6°109.5°
C9C8H6109.6°109.4°
C8C9H21108.2°109.5°
C8C9H22108.2°109.5°
O1C1H18109.5°109.5°
O1C1H19109.5°109.4°
O1C1H20109.4°109.5°
C9C10H7107.9°109.5°
C9C10H8107.9°109.5°
C10C9H21108.2°109.5°
C10C9H22108.2°109.4°
H2N3H3120.1°120.0°
H5C8H6109.5°109.5°
H7C10H8109.5°109.5°
H9C13H10109.4°110.6°
H11C17H12109.5°112.9°
H13C19H14109.5°113.0°
H15C18H16109.5°112.9°
H18C1H19109.4°109.5°
H18C1H20109.5°109.5°
H19C1H20109.5°109.5°
H21C9H22109.4°109.5°
H23C14H24109.4°110.1°
H25C12H26109.5°110.9°
H27C11H28109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C19C16H13116.5°114.4°
C18C19C16H14116.5°114.5°
C18C19C16C15129.1°143.2°
C19C18C17H15116.6°114.6°
C19C18C17H16116.6°114.6°
C18C19C16C4112.1°93.8°
C18C19C16C178.7°24.8°
C19C18C17H11107.7°139.1°
C19C18C17H12125.3°89.8°
C18C19H13H14129.3°131.4°
C19C18H15H16129.2°131.2°
C19C16C15N347.0°51.2°
C19C16C15N2133.7°129.1°
C19C16C15C4130.8°129.0°
C19C16C15C17103.8°101.5°
C19C16C4C17106.1°101.7°
C19C16C4C5131.7°128.8°
C19C16C4C349.6°50.9°
C19C16C17H11107.8°139.4°
C19C16C17H12125.3°89.7°
C16C19H13H14129.4°131.4°
C16C19C18H15125.4°89.9°
C16C19C18H16107.7°139.2°
N3C15N2C16179.3°179.7°
N3C15N2C5180.0°180.0°
N3C15C16C4177.8°179.7°
N3C15C16C1756.8°50.2°
C15N3H2H3180.0°180.0°
C13C12C11H25119.4°118.1°
C13C12C11H26119.4°118.0°
C12C13C14H9119.0°118.4°
C12C13C14H10119.0°118.5°
C13C12C11N12.8°37.1°
C12C13C14N140.1°22.2°
C12C13H9H10122.9°123.3°
C12C13C14H2378.8°97.1°
C12C13C14H24159.0°141.7°
C13C12H25H26121.8°123.7°
C13C12C11H27122.1°81.8°
C13C12C11H28116.6°155.9°
C11C12C13C1422.9°35.7°
C12C11N1H27119.4°118.9°
C12C11N1H28119.3°118.7°
C12C11N1C1428.0°24.2°
C12C11N1C10157.3°146.4°
C11C12C13H9141.9°154.1°
C11C12C13H1096.1°82.7°
C11C12H25H26121.7°124.0°
C12C11H27H28122.0°122.3°
C13C14N1C1142.8°1.1°
C13C14N1H23118.9°119.3°
C13C14N1H24118.9°119.4°
C13C14N1C10172.0°123.3°
C14C13H9H10122.9°123.0°
C13C14H23H24123.2°121.2°
C14C13C12H25142.3°82.5°
C14C13C12H2696.5°153.8°
N2C15C16C42.9°0.1°
N2C15C16C17122.5°129.4°
C15N2C5C42.1°0.4°
C15N2C5C6179.5°179.6°
N2C15N3H20.0°0.0°
N2C15N3H3180.0°180.0°
C15C16C17C18128.7°143.0°
C16C15N2C50.7°0.3°
C15C16C4C17125.9°129.4°
C15C16C4C53.8°0.2°
C15C16C4C3177.6°179.8°
C16C15N3H2179.2°179.6°
C16C15N3H30.7°0.4°
C15C16C17H1112.2°102.4°
C15C16C17H12114.7°28.5°
C15C16C19H13114.4°28.7°
C15C16C19H1412.6°102.4°
C18C17C16C4115.8°93.5°
C18C17C16H11116.5°114.5°
C18C17C16H12116.5°114.6°
C18C17H11H12129.3°131.5°
C17C18C19H13125.4°89.8°
C17C18C19H14107.7°139.1°
C17C18H15H16129.2°131.1°
N2C5C4C164.0°0.3°
N2C5C4C6178.5°180.0°
N2C5C4C3177.2°179.9°
N2C5C6C7176.2°179.9°
N2C5C6H43.7°0.1°
C16C4C5C3178.8°179.7°
C16C4C5C6177.5°179.7°
C16C4C3C2178.2°179.7°
C4C16C17H11127.6°21.0°
C4C16C17H120.7°151.9°
C4C16C19H134.4°151.8°
C4C16C19H14131.4°20.7°
C16C4C3H171.8°0.4°
C17C16C4C5122.1°129.5°
C17C16C4C356.5°50.8°
C16C17H11H12129.3°131.3°
C17C16C19H13125.2°89.6°
C17C16C19H14107.8°139.3°
C16C17C18H15125.4°90.0°
C16C17C18H16107.8°139.3°
C11N1C14C10129.2°122.2°
C11N1C10C9164.1°69.2°
C11N1C10H743.2°50.9°
C11N1C10H874.9°170.8°
C11N1C14H2376.1°120.4°
C11N1C14H24161.7°118.4°
N1C11C12H25116.6°81.0°
N1C11C12H26122.2°155.2°
N1C11H27H28121.9°122.3°
C5C4C3C20.3°0.0°
C4C5C6C72.1°0.0°
C4C5C6H4178.0°179.9°
C5C4C3H17179.7°179.9°
C3C4C5C61.3°0.0°
C4C3C2H17180.0°179.9°
C4C3C2C70.2°0.1°
C4C3C2O1179.4°180.0°
C5C6C7H4180.0°180.0°
C5C6C7C21.9°0.0°
C5C6C7O2175.7°180.0°
C14N1C10C972.2°170.0°
C14N1C10H7166.9°69.9°
C14N1C10H848.7°50.0°
N1C14C13H9159.1°140.7°
N1C14C13H1078.9°96.3°
N1C14H23H24123.2°121.1°
C14N1C11H27147.3°94.7°
C14N1C11H2891.4°142.9°
N1C10C9C863.6°179.9°
N1C10C9H7120.9°120.0°
N1C10C9H8120.9°119.9°
N1C10H7H8117.2°119.9°
N1C10C9H2157.1°60.0°
N1C10C9H22175.6°60.0°
C10N1C14H2353.0°117.4°
C10N1C14H2469.2°3.8°
C10N1C11H2783.3°27.5°
C10N1C11H2838.0°94.9°
C3C2C7C61.1°0.1°
C3C2C7O1179.6°179.9°
C3C2C7O2176.5°179.9°
C3C2O1C12.3°0.0°
C6C7C2O2177.6°180.0°
C6C7C2O1178.5°180.0°
C6C7O2C80.8°0.1°
C2C7O2C8178.4°180.0°
C7C2O1C1177.3°179.9°
C2C7C6H4178.1°180.0°
C7C2C3H17179.8°180.0°
O1C2C7O23.9°0.0°
O1C2C3H170.7°0.1°
C2O1C1H18180.0°180.0°
C2O1C1H1960.0°60.0°
C2O1C1H2060.0°60.0°
C7O2C8C9167.2°180.0°
O2C7C6H44.2°0.0°
C7O2C8H572.9°60.0°
C7O2C8H647.2°60.1°
O2C8C9H5119.9°120.1°
O2C8C9H6119.9°120.0°
O2C8C9C1057.1°180.0°
O2C8H5H6120.2°120.0°
O2C8C9H21177.9°59.9°
O2C8C9H2263.7°60.1°
C8C9C10H21120.8°120.0°
C8C9C10H22120.8°120.0°
C9C8H5H6120.2°119.9°
C8C9C10H757.3°60.0°
C8C9C10H8175.4°60.0°
C8C9H21H22117.7°120.0°
O1C1H18H19120.0°119.9°
O1C1H18H20120.0°120.1°
O1C1H19H20120.0°120.0°
C10C9C8H562.8°60.0°
C10C9C8H6177.0°60.0°
C9C10H7H8117.1°120.0°
C10C9H21H22117.7°120.0°
H5C8C9H2157.9°180.0°
H5C8C9H22176.4°60.0°
H6C8C9H2162.2°60.0°
H6C8C9H2256.3°179.9°
H7C10C9H21178.0°60.0°
H7C10C9H2263.5°180.0°
H8C10C9H2163.8°180.0°
H8C10C9H2254.6°60.0°
H9C13C14H2340.2°21.4°
H9C13C14H2482.0°99.9°
H9C13C12H2598.7°35.9°
H9C13C12H2622.5°87.8°
H10C13C14H23162.2°144.4°
H10C13C14H2440.0°23.1°
H10C13C12H2523.3°159.1°
H10C13C12H26144.5°35.4°
H11C17C18H158.8°24.5°
H11C17C18H16135.7°106.3°
H12C17C18H15118.1°155.6°
H12C17C18H168.7°24.8°
H13C19C18H15118.1°155.6°
H13C19C18H168.8°24.7°
H14C19C18H158.9°24.5°
H14C19C18H16135.7°106.4°
H18C1H19H20120.0°120.0°
H25C12C11H272.7°160.1°
H25C12C11H28124.0°37.8°
H26C12C11H27118.5°36.3°
H26C12C11H282.8°86.1°

246704

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