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2I5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C04N05doub1.31Å1.32ÅAromatic
C04N03sing1.32Å1.33ÅAromatic
N05C06sing1.33Å1.36ÅAromatic
N03C02doub1.33Å1.33ÅAromatic
C26C25sing1.53Å1.48Å
C26C27sing1.53Å1.53Å
C06C07doub1.41Å1.38ÅAromatic
C06N23sing1.36Å1.35ÅAromatic
C02N01sing1.38Å1.45Å
C02C07sing1.40Å1.42ÅAromatic
C25C24sing1.53Å1.47Å
C24N23sing1.47Å1.49Å
C24C33sing1.53Å1.54Å
C07C08sing1.46Å1.45ÅAromatic
N23N22sing1.40Å1.33ÅAromatic
O32C29doub1.21Å1.18Å
C29N28sing1.35Å1.45Å
C29C30sing1.51Å1.53Å
C27N28sing1.47Å1.50Å
N28C33sing1.47Å1.50Å
C30C31sing1.53Å1.52Å
C08N22doub1.31Å1.32ÅAromatic
C08C09sing1.48Å1.52Å
C09N21sing1.34Å1.33ÅAromatic
C09C10doub1.36Å1.39ÅAromatic
N21N20doub1.29Å1.36ÅAromatic
C10N11sing1.36Å1.31ÅAromatic
N20N11sing1.40Å1.35ÅAromatic
N11C12sing1.40Å1.45Å
C12C13doub1.39Å1.38ÅAromatic
C12C18sing1.39Å1.39ÅAromatic
C13C14sing1.38Å1.38ÅAromatic
O19C18sing1.36Å1.40Å
C18C17doub1.39Å1.39ÅAromatic
C14BR15sing1.89Å1.94Å
C14C16doub1.38Å1.38ÅAromatic
C17C16sing1.38Å1.39ÅAromatic
C10H1sing1.08Å1.08Å
C13H2sing1.08Å1.08Å
C17H3sing1.08Å1.08Å
C24H4sing1.09Å1.10Å
C26H5sing1.09Å1.10Å
C26H6sing1.09Å1.10Å
C04H7sing1.08Å1.08Å
C16H8sing1.08Å1.08Å
C25H9sing1.09Å1.10Å
C25H10sing1.09Å1.10Å
C27H11sing1.09Å1.10Å
C27H12sing1.09Å1.10Å
C30H13sing1.09Å1.10Å
C30H14sing1.09Å1.10Å
C31H15sing1.09Å1.10Å
C31H16sing1.09Å1.10Å
C31H17sing1.09Å1.10Å
C33H18sing1.09Å1.10Å
C33H19sing1.09Å1.10Å
N01H20sing0.97Å1.00Å
N01H21sing0.97Å1.00Å
O19H22sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N05C04N03121.6°122.7°
C04N05C06120.7°120.7°
N05C04H7119.2°118.7°
C04N03C02121.0°121.1°
N03C04H7119.2°118.6°
N05C06C07119.9°118.6°
N05C06N23132.8°134.5°
N03C02N01119.1°120.8°
N03C02C07119.5°118.4°
C25C26C27112.3°109.3°
C26C25C24111.8°109.5°
C25C26H5108.8°109.5°
C25C26H6108.7°109.5°
C26C25H9108.9°109.5°
C26C25H10108.9°109.5°
C26C27N28111.3°108.7°
C27C26H5108.8°109.5°
C27C26H6108.8°109.5°
C26C27H11109.0°109.6°
C26C27H12109.0°109.5°
C07C06N23107.4°106.9°
C06C07C02117.4°118.6°
C06C07C08104.7°106.4°
C06N23C24124.5°125.3°
C06N23N22111.2°109.5°
N01C02C07121.5°120.8°
C02N01H20109.5°120.0°
C02N01H21109.5°120.0°
C02C07C08138.0°135.0°
C25C24N23107.7°109.5°
C25C24C33112.0°109.3°
C25C24H4109.2°109.5°
C24C25H9108.8°109.4°
C24C25H10108.9°109.4°
N23C24C33110.5°109.5°
C24N23N22124.3°125.2°
N23C24H4109.0°109.5°
C24C33N28110.9°108.8°
C33C24H4108.3°109.5°
C24C33H18109.1°109.6°
C24C33H19109.1°109.6°
C07C08N22108.3°107.4°
C07C08C09127.6°126.3°
N23N22C08108.5°109.8°
O32C29N28119.4°120.0°
O32C29C30120.2°120.0°
N28C29C30120.4°120.0°
C29N28C27124.0°120.6°
C29N28C33125.5°120.6°
C29C30C31110.2°109.4°
C29C30H13109.3°109.4°
C29C30H14109.3°109.5°
C27N28C33110.5°118.8°
N28C27H11109.0°109.6°
N28C27H12109.0°109.7°
N28C33H18109.1°109.6°
N28C33H19109.1°109.7°
C31C30H13109.3°109.5°
C31C30H14109.3°109.5°
C30C31H15109.5°109.5°
C30C31H16109.5°109.4°
C30C31H17109.5°109.4°
N22C08C09124.1°126.3°
C08C09N21126.7°125.7°
C08C09C10125.7°125.6°
N21C09C10107.6°108.7°
C09N21N20107.8°109.8°
C09C10N11107.7°106.6°
C09C10H1126.2°126.7°
N21N20N11107.8°108.3°
C10N11N20109.0°106.5°
C10N11C12127.0°126.7°
N11C10H1126.1°126.7°
N20N11C12123.9°126.7°
N11C12C13117.6°120.1°
N11C12C18122.7°120.1°
C13C12C18119.8°119.8°
C12C13C14120.4°120.0°
C12C13H2119.8°120.0°
C12C18O19121.3°120.1°
C12C18C17119.7°119.8°
C13C14BR15119.1°119.9°
C13C14C16120.1°120.1°
C14C13H2119.8°120.0°
O19C18C17119.0°120.1°
C18O19H22109.5°114.1°
C18C17C16120.3°120.0°
C18C17H3119.9°120.0°
BR15C14C16120.8°120.0°
C14C16C17119.8°120.2°
C14C16H8120.1°119.9°
C16C17H3119.8°120.0°
C17C16H8120.1°119.9°
H5C26H6109.4°109.6°
H9C25H10109.5°109.4°
H11C27H12109.4°109.7°
H13C30H14109.5°109.5°
H15C31H16109.4°109.5°
H15C31H17109.4°109.5°
H16C31H17109.5°109.5°
H18C33H19109.5°109.6°
H20N01H21109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N05C04N03H7180.0°179.8°
N05C04N03C020.1°0.1°
C04N05C06C070.0°0.2°
C04N05C06N23179.8°179.7°
N03C04N05C060.1°0.2°
C04N03C02N01179.9°179.9°
C04N03C02C070.1°0.4°
N05C06C07N23179.8°179.9°
N05C06C07C020.0°0.0°
N05C06N23C240.6°0.1°
N05C06C07C08179.9°180.0°
N05C06N23N22179.9°179.9°
C06N05C04H7179.9°180.0°
N03C02C07C060.0°0.3°
N03C02N01C07180.0°179.7°
N03C02C07C08179.8°179.7°
C02N03C04H7179.9°179.7°
N03C02N01H200.0°161.8°
N03C02N01H21120.0°18.2°
C25C26C27H5120.4°119.9°
C25C26C27H6120.4°119.9°
C26C25C24H9120.4°120.0°
C26C25C24H10120.4°120.1°
C26C25C24N23175.6°178.7°
C26C25C24C3353.8°61.4°
C25C26C27N2854.4°54.7°
C26C25C24H466.2°58.6°
C25C26H5H6118.7°120.1°
C26C25H9H10118.9°120.0°
C25C26C27H1165.9°65.1°
C25C26C27H12174.7°174.4°
C27C26C25C2453.4°61.4°
C26C27N28C29124.0°126.4°
C26C27N28H11120.3°119.8°
C26C27N28H12120.3°119.7°
C26C27N28C3355.5°53.7°
C27C26H5H6118.7°120.1°
C27C26C25H9173.7°58.6°
C27C26C25H1067.0°178.6°
C26C27H11H12119.2°120.3°
C06C07C02N01180.0°180.0°
C06C07C02C08179.8°180.0°
C07C06N23C24179.6°180.0°
C07C06N23N220.3°0.0°
C06C07C08N220.2°0.0°
C06C07C08C09179.6°180.0°
N23C06C07C02179.8°180.0°
C06N23C24C25117.4°120.1°
C06N23C24N22179.2°179.9°
C06N23C24C33119.9°120.0°
N23C06C07C080.3°0.0°
C06N23N22C080.2°0.0°
C06N23C24H40.9°0.1°
N01C02C07C080.2°0.0°
C02N01H20H21120.0°180.0°
C02C07C08N22180.0°180.0°
C02C07C08C090.6°0.0°
C07C02N01H20180.0°18.5°
C07C02N01H2160.0°161.5°
C25C24N23C33122.7°119.9°
C25C24N23H4118.4°120.0°
C25C24C33H4120.5°120.0°
C25C24N23N2261.7°59.8°
C25C24C33N2855.4°54.6°
C24C25C26H5173.8°178.7°
C24C25C26H667.1°58.6°
C24C25H9H10118.9°119.9°
C25C24C33H18175.6°174.4°
C25C24C33H1964.8°65.3°
N23C24C33H4119.4°120.1°
N23C24C33N28175.5°174.6°
C24N23N22C08179.4°179.9°
N23C24C25H964.1°61.3°
N23C24C25H1055.2°58.6°
N23C24C33H1864.3°65.6°
N23C24C33H1955.3°54.6°
C33C24N23N2261.0°60.1°
C24C33N28C29123.6°126.4°
C24C33N28C2755.8°53.7°
C24C33N28H18120.2°119.8°
C24C33N28H19120.2°119.8°
C33C24C25H9174.2°58.7°
C33C24C25H1066.5°178.6°
C24C33H18H19119.4°120.2°
C07C08N22N230.0°0.0°
C07C08N22C09179.4°179.9°
C07C08C09N219.5°27.1°
C07C08C09C10171.4°152.9°
N23N22C08C09179.4°180.0°
N22N23C24H4179.9°179.9°
O32C29N28C30179.6°180.0°
O32C29N28C270.5°180.0°
O32C29N28C33179.8°0.0°
O32C29C30C3162.4°0.0°
O32C29C30H1357.7°120.0°
O32C29C30H14177.5°120.0°
C29N28C27C33179.4°180.0°
N28C29C30C31117.1°180.0°
C29N28C27H11115.8°113.8°
C29N28C27H123.7°6.6°
N28C29C30H13122.7°60.0°
N28C29C30H143.0°60.0°
C29N28C33H183.4°6.6°
C29N28C33H19116.2°113.8°
C30C29N28C27179.9°0.0°
C30C29N28C330.6°180.0°
C29C30C31H13120.1°119.9°
C29C30C31H14120.1°120.0°
C29C30H13H14119.7°120.0°
C29C30C31H15180.0°60.0°
C29C30C31H1660.0°180.0°
C29C30C31H1760.0°60.0°
N28C27C26H5174.9°174.6°
N28C27C26H666.0°65.3°
N28C27H11H12119.2°120.5°
C27N28C33H18176.1°173.4°
C27N28C33H1964.4°66.2°
N28C33C24H465.1°65.3°
C33N28C27H1164.8°66.1°
C33N28C27H12175.8°173.4°
N28C33H18H19119.3°120.5°
C31C30H13H14119.7°120.0°
C30C31H15H16120.0°120.0°
C30C31H15H17120.0°119.9°
C30C31H16H17120.0°119.9°
N22C08C09N21169.8°152.8°
N22C08C09C109.4°27.2°
C08C09N21C10179.3°180.0°
C08C09N21N20179.5°179.8°
C08C09C10N11179.2°180.0°
C08C09C10H10.8°0.3°
N21C09C10N110.1°0.0°
C09N21N20N110.4°0.3°
N21C09C10H1179.9°179.7°
C10C09N21N200.2°0.2°
C09C10N11H1180.0°179.7°
C09C10N11N200.3°0.2°
C09C10N11C12179.6°179.8°
N21N20N11C100.5°0.3°
N21N20N11C12179.7°179.6°
C10N11N20C12179.2°180.0°
C10N11C12C13147.4°0.1°
C10N11C12C1833.0°180.0°
N20N11C12C1331.8°180.0°
N20N11C12C18147.9°0.1°
N20N11C10H1179.7°179.9°
N11C12C13C18179.7°179.9°
N11C12C13C14179.8°180.0°
N11C12C18O190.2°0.1°
N11C12C18C17179.9°179.4°
C12N11C10H10.5°0.0°
N11C12C13H20.1°0.3°
C12C13C14H2180.0°179.7°
C13C12C18O19179.9°180.0°
C13C12C18C170.2°0.5°
C12C13C14BR15179.9°179.7°
C12C13C14C160.0°0.3°
C18C12C13C140.2°0.1°
C12C18O19C17179.9°179.5°
C12C18C17C160.2°0.9°
C18C12C13H2179.8°179.7°
C12C18C17H3179.8°179.8°
C12C18O19H22180.0°90.0°
C13C14BR15C16179.9°179.9°
C13C14C16C170.1°0.0°
C13C14C16H8179.9°179.4°
O19C18C17C16179.9°179.7°
O19C18C17H30.1°0.3°
C18C17C16C140.0°0.6°
C18C17C16H3180.0°179.4°
C18C17C16H8180.0°180.0°
C17C18O19H220.1°90.6°
BR15C14C16C17180.0°180.0°
BR15C14C13H20.1°0.0°
BR15C14C16H80.0°0.5°
C14C16C17H8180.0°179.5°
C16C14C13H2180.0°180.0°
C14C16C17H3180.0°180.0°
H3C17C16H80.0°0.6°
H4C24C25H954.2°178.7°
H4C24C25H10173.5°61.4°
H4C24C33H1855.1°54.5°
H4C24C33H19174.7°174.7°
H5C26C25H965.8°61.3°
H5C26C25H1053.5°58.7°
H5C26C27H1154.6°54.8°
H5C26C27H1264.9°65.6°
H6C26C25H953.3°178.6°
H6C26C25H10172.6°61.4°
H6C26C27H11173.7°174.9°
H6C26C27H1254.3°54.5°
H13C30C31H1559.9°60.0°
H13C30C31H16179.8°60.1°
H13C30C31H1760.1°179.9°
H14C30C31H1559.9°NaN°
H14C30C31H1660.1°60.0°
H14C30C31H17179.9°60.0°
H15C31H16H17120.0°120.1°

224931

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