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I27

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N21C30sing1.47Å1.49Å
N21C20sing1.47Å1.49Å
C30C31sing1.53Å1.54Å
C31C10sing1.53Å1.57Å
C20C19sing1.53Å1.53Å
C13C14doub1.38Å1.41ÅAromatic
C13C12sing1.38Å1.42ÅAromatic
C14C15sing1.38Å1.39ÅAromatic
C10C19sing1.53Å1.57Å
C10C11sing1.53Å1.57Å
C10C8sing1.51Å1.56Å
C11C12sing1.51Å1.57Å
C12C18doub1.38Å1.43ÅAromatic
O4C3doub1.21Å1.25Å
C15CL1sing1.74Å1.79Å
C15C17doub1.38Å1.39ÅAromatic
C7C8sing1.42Å1.50Å
C7C5doub1.36Å1.35Å
C8O9doub1.21Å1.20Å
C18C17sing1.38Å1.43ÅAromatic
C3C5sing1.48Å1.50Å
C3O2sing1.35Å1.35Å
C5O6sing1.35Å1.34Å
O2C1sing1.45Å1.38Å
C11H1sing1.09Å1.10Å
C11H2sing1.09Å1.10Å
C13H3sing1.08Å1.08Å
C14H4sing1.08Å1.08Å
C17H5sing1.08Å1.08Å
C18H6sing1.08Å1.08Å
C19H7sing1.09Å1.10Å
C19H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
C20H10sing1.09Å1.10Å
C31H11sing1.09Å1.10Å
C31H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C7H16sing1.08Å1.08Å
C30H17sing1.09Å1.10Å
C30H18sing1.09Å1.10Å
O6H21sing0.97Å0.95Å
N21C22sing1.47Å107.85Å
C22C23sing1.51Å0.00Å
C23C24sing1.38Å0.00ÅAromatic
C24C25doub1.38Å0.00ÅAromatic
C25C26sing1.38Å0.00ÅAromatic
C26C27doub1.38Å0.00ÅAromatic
C27C28sing1.38Å0.00ÅAromatic
C28C23doub1.38Å0.00ÅAromatic
C27CL2sing1.74Å0.00Å
C22H19sing1.09Å0.00Å
C22H20sing1.09Å0.00Å
C24H23sing1.08Å0.00Å
C25H25sing1.08Å0.00Å
C26H27sing1.08Å0.00Å
C28H30sing1.08Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C30N21C20115.2°111.2°
N21C30C31114.0°109.6°
N21C30H17108.3°109.5°
N21C30H18108.3°109.5°
C30N21C2296.6°111.0°
N21C20C19114.0°109.5°
N21C20H9108.3°109.4°
N21C20H10108.4°109.5°
C20N21C2294.5°111.0°
C30C31C10114.2°109.3°
C30C31H11108.3°109.5°
C30C31H12108.3°109.5°
C31C30H17108.3°109.5°
C31C30H18108.3°109.4°
C31C10C19110.3°109.1°
C31C10C11112.4°109.5°
C31C10C8107.1°109.6°
C10C31H11108.3°109.5°
C10C31H12108.2°109.5°
C20C19C10114.2°109.3°
C20C19H7108.3°109.5°
C20C19H8108.3°109.5°
C19C20H9108.3°109.5°
C19C20H10108.3°109.5°
C14C13C12122.8°120.0°
C13C14C15118.0°120.0°
C14C13H3118.6°120.0°
C13C14H4121.0°120.0°
C13C12C11120.6°120.0°
C13C12C18116.4°120.0°
C12C13H3118.6°120.0°
C14C15CL1117.2°120.0°
C14C15C17123.4°120.0°
C15C14H4121.0°120.0°
C19C10C11106.4°109.5°
C19C10C8110.8°109.6°
C10C19H7108.3°109.5°
C10C19H8108.3°109.5°
C11C10C8109.7°109.5°
C10C11C12116.0°109.5°
C10C11H1107.8°109.5°
C10C11H2107.8°109.5°
C10C8C7122.2°120.0°
C10C8O9118.8°120.0°
C11C12C18123.0°120.0°
C12C11H1107.8°109.4°
C12C11H2107.8°109.5°
C12C18C17121.9°120.0°
C12C18H6119.0°120.0°
O4C3C5120.6°120.0°
O4C3O2116.1°120.0°
CL1C15C17119.4°120.0°
C15C17C18117.5°120.0°
C15C17H5121.3°120.0°
C8C7C5129.6°120.0°
C7C8O9118.5°120.0°
C8C7H16115.2°120.0°
C7C5C3120.4°120.0°
C7C5O6122.4°120.0°
C5C7H16115.2°120.0°
C18C17H5121.3°120.0°
C17C18H6119.0°120.0°
C5C3O2123.2°120.0°
C3C5O6117.2°120.0°
C3O2C1119.2°117.0°
C5O6H21109.5°114.0°
O2C1H13109.5°109.4°
O2C1H14109.4°109.5°
O2C1H15109.4°109.5°
H1C11H2109.5°109.5°
H7C19H8109.5°109.5°
H9C20H10109.5°109.5°
H11C31H12109.5°109.5°
H13C1H14109.4°109.5°
H13C1H15109.5°109.4°
H14C1H15109.5°109.5°
H17C30H18109.5°109.4°
N21C22C2390.0°109.5°
N21C22H1990.0°109.4°
N21C22H2090.0°109.4°
C22C23C2490.0°120.0°
C22C23C2890.0°120.0°
C23C22H1990.0°109.5°
C23C22H2090.0°109.5°
C23C24C2590.0°120.1°
C24C23C2890.0°120.0°
C23C24H2390.0°120.0°
C24C25C2690.0°120.0°
C25C24H2390.0°119.9°
C24C25H2590.0°120.1°
C25C26C2790.0°120.0°
C26C25H2590.0°120.0°
C25C26H2790.0°120.0°
C26C27C2890.0°119.9°
C26C27CL290.0°120.0°
C27C26H2790.0°120.0°
C27C28C2390.0°120.0°
C28C27CL290.0°120.0°
C27C28H3090.0°120.0°
C23C28H3090.0°120.0°
H19C22H2090.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C30N21C20C2299.4°124.1°
N21C30C31H17120.7°120.0°
N21C30C31H18120.7°120.0°
N21C30C31C1055.6°59.2°
C30N21C20C1921.5°61.7°
C30N21C20H9142.2°58.3°
C30N21C20H1099.1°178.3°
N21C30C31H1165.1°60.8°
N21C30C31H12176.3°179.2°
N21C30H17H18117.9°120.0°
C30N21C22C2390.0°170.0°
C30N21C22H1990.0°50.0°
C30N21C22H2090.0°70.0°
C20N21C30C3132.6°61.7°
N21C20C19H9120.7°120.0°
N21C20C19H10120.7°120.0°
N21C20C19C1056.3°59.1°
N21C20C19H764.4°179.1°
N21C20C19H8177.0°60.8°
N21C20H9H10118.0°120.0°
C20N21C30H17153.3°178.2°
C20N21C30H1888.1°58.3°
C20N21C22C2390.0°65.8°
C20N21C22H1990.0°174.2°
C20N21C22H2090.0°54.2°
C30C31C10H11120.7°120.0°
C30C31C10H12120.7°120.0°
C30C31C10C1920.7°57.6°
C30C31C10C11139.4°62.3°
C30C31C10C8100.0°177.6°
C30C31H11H12117.9°120.1°
C31C30H17H18117.9°119.9°
C31C30N21C2265.5°174.2°
C31C10C19C2032.2°57.6°
C31C10C19C11122.3°119.9°
C31C10C19C8118.5°120.0°
C31C10C11C8119.1°120.2°
C31C10C11C1267.2°174.7°
C31C10C8C740.2°55.8°
C31C10C8O9147.9°124.2°
C31C10C11H1171.9°65.3°
C31C10C11H253.7°54.7°
C31C10C19H788.5°177.6°
C31C10C19H8152.9°62.4°
C10C31H11H12117.8°120.1°
C10C31C30H17176.2°179.2°
C10C31C30H1865.1°60.9°
C20C19C10H7120.7°120.0°
C20C19C10H8120.7°120.0°
C20C19C10C1190.1°62.3°
C20C19C10C8150.7°177.6°
C20C19H7H8117.8°120.1°
C19C20H9H10117.9°120.0°
C19C20N21C22121.0°174.2°
C14C13C12H3180.0°179.9°
C13C14C15H4180.0°180.0°
C14C13C12C11179.6°180.0°
C14C13C12C180.8°0.2°
C13C14C15CL1179.7°180.0°
C13C14C15C170.7°0.0°
C12C13C14C151.4°0.1°
C13C12C11C1093.5°83.9°
C13C12C11C18179.5°179.8°
C13C12C18C170.5°0.5°
C13C12C11H1145.6°156.1°
C13C12C11H227.5°36.1°
C12C13C14H4178.6°180.0°
C13C12C18H6179.5°179.8°
C14C15CL1C17179.1°180.0°
C14C15C17C180.5°0.3°
C15C14C13H3178.6°180.0°
C14C15C17H5179.5°180.0°
C19C10C11C8120.0°120.2°
C19C10C11C12171.9°65.6°
C19C10C8C7160.6°175.5°
C19C10C8O927.5°4.4°
C19C10C11H151.0°54.4°
C19C10C11H267.2°174.4°
C10C19H7H8117.9°120.0°
C10C19C20H9176.9°60.9°
C10C19C20H1064.4°179.2°
C19C10C31H11100.0°62.4°
C19C10C31H12141.4°177.6°
C10C11C12H1120.9°120.0°
C10C11C12H2120.9°120.0°
C10C11C12C1886.1°95.8°
C11C10C8C782.1°64.3°
C11C10C8O989.8°115.7°
C10C11H1H2117.1°120.0°
C11C10C19H7149.2°57.7°
C11C10C19H830.6°177.8°
C11C10C31H1118.7°177.8°
C11C10C31H1299.9°57.8°
C8C10C11C1251.9°54.5°
C10C8C7O9171.9°180.0°
C10C8C7C5163.7°174.2°
C8C10C11H169.0°174.5°
C8C10C11H2172.8°65.5°
C8C10C19H730.0°62.4°
C8C10C19H888.6°57.6°
C8C10C31H11139.3°57.6°
C8C10C31H1220.7°62.4°
C10C8C7H1616.2°5.9°
C11C12C18C17179.1°179.7°
C12C11H1H2117.0°120.0°
C11C12C13H30.4°0.0°
C11C12C18H60.9°0.0°
C12C18C17C151.1°0.5°
C12C18C17H6180.0°179.7°
C18C12C11H134.9°24.2°
C18C12C11H2153.0°144.1°
C18C12C13H3179.2°179.7°
C12C18C17H5178.9°179.7°
O4C3C5C76.4°0.1°
O4C3C5O2177.0°179.9°
O4C3C5O6175.3°180.0°
O4C3O2C158.2°0.0°
CL1C15C17C18178.5°179.7°
CL1C15C14H40.2°0.0°
CL1C15C17H51.5°0.0°
C15C17C18H5180.0°179.8°
C17C15C14H4179.3°180.0°
C15C17C18H6178.9°179.7°
C8C7C5H16180.0°180.0°
C8C7C5C3177.1°171.7°
C8C7C5O61.2°8.4°
C5C7C8O98.2°5.8°
C7C5C3O6178.3°179.9°
C7C5C3O2170.6°180.0°
C7C5O6H212.2°6.8°
O9C8C7H16171.8°174.1°
C5C3O2C1118.9°180.0°
C3C5C7H162.9°8.3°
C3C5O6H21179.6°173.2°
O2C3C5O67.8°0.1°
C3O2C1H13180.0°59.9°
C3O2C1H1460.0°179.9°
C3O2C1H1560.0°60.0°
O6C5C7H16178.9°171.6°
O2C1H13H14120.0°120.0°
O2C1H13H15120.0°119.9°
O2C1H14H15120.0°120.0°
H3C13C14H41.4°0.0°
H5C17C18H61.1°0.0°
H7C19C20H956.3°59.1°
H7C19C20H10174.9°60.9°
H8C19C20H962.3°179.2°
H8C19C20H1056.3°59.2°
H9C20N21C22118.4°65.8°
H10C20N21C220.3°54.1°
H11C31C30H1755.6°59.3°
H11C31C30H18174.2°179.2°
H12C31C30H1763.1°60.8°
H12C31C30H1855.6°59.1°
H13C1H14H15120.0°120.0°
H17C30N21C2255.2°54.1°
H18C30N21C22173.8°65.8°
N21C22C23H1990.0°120.0°
N21C22C23H2090.0°120.0°
N21C22C23C2490.0°90.0°
N21C22C23C2890.0°90.3°
N21C22H19H2090.0°119.9°
C22C23C24C2890.0°179.6°
C22C23C24C2590.0°179.9°
C22C23C28C2790.0°179.8°
C23C22H19H2090.0°120.1°
C22C23C24H2390.0°0.1°
C22C23C28H3090.0°0.3°
C23C24C25H2390.0°180.0°
C23C24C25C2690.0°0.0°
C24C23C28C2790.0°0.6°
C24C23C22H1990.0°29.9°
C24C23C22H2090.0°150.0°
C23C24C25H2590.0°180.0°
C24C23C28H3090.0°179.9°
C24C25C26H2590.0°180.0°
C24C25C26C2790.0°0.0°
C25C24C23C2890.0°0.3°
C24C25C26H2790.0°180.0°
C25C26C27H2790.0°180.0°
C25C26C27C2890.0°0.3°
C25C26C27CL290.0°180.0°
C26C25C24H2390.0°180.0°
C26C27C28CL290.0°179.8°
C26C27C28C2390.0°0.5°
C27C26C25H2590.0°180.0°
C26C27C28H3090.0°179.9°
C27C28C23H3090.0°179.5°
C28C27C26H2790.0°179.8°
C23C28C27CL290.0°179.7°
C28C23C22H1990.0°149.7°
C28C23C22H2090.0°29.7°
C28C23C24H2390.0°179.7°
CL2C27C26H2790.0°0.0°
CL2C27C28H3090.0°0.2°
H23C24C25H2590.0°0.0°
H25C25C26H2790.0°0.0°

222415

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