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45Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C21doub1.38Å1.49ÅAromatic
C20C19sing1.38Å1.47ÅAromatic
C22C19sing1.51Å1.49Å
C22N23sing1.47Å1.29Å
C24N23sing1.47Å1.39Å
C24C25sing1.53Å1.52Å
C21C15sing1.40Å1.48ÅAromatic
C19C18doub1.38Å1.48ÅAromatic
N23C28sing1.47Å1.34Å
C25N26sing1.47Å1.37Å
O16C14doub1.22Å1.16Å
C15C14sing1.48Å1.50Å
C15C17doub1.40Å1.48ÅAromatic
C18C17sing1.38Å1.48ÅAromatic
C14N13sing1.35Å1.39Å
C28C27sing1.53Å1.52Å
N26C29sing1.47Å1.30Å
N26C27sing1.47Å1.38Å
C30C04sing1.51Å1.48Å
N13C10sing1.39Å1.38Å
C05C04doub1.38Å1.48ÅAromatic
C05C06sing1.39Å1.47ÅAromatic
C09C10doub1.36Å1.34ÅAromatic
C09C08sing1.41Å1.33ÅAromatic
C10N11sing1.36Å1.31ÅAromatic
C04C03sing1.39Å1.50ÅAromatic
C08C06sing1.48Å1.49Å
C08N12doub1.32Å1.31ÅAromatic
C06C07doub1.39Å1.45ÅAromatic
N11N12sing1.40Å1.30ÅAromatic
C03N01sing1.40Å1.36Å
C03C02doub1.39Å1.47ÅAromatic
C07C02sing1.38Å1.47ÅAromatic
C17H1sing1.08Å1.08Å
N01H2sing0.97Å1.00Å
N01H3sing0.97Å1.00Å
C02H4sing1.08Å1.08Å
C05H5sing1.08Å1.08Å
C07H6sing1.08Å1.08Å
C09H7sing1.08Å1.08Å
N11H8sing0.97Å1.00Å
N13H9sing0.97Å1.00Å
C18H10sing1.08Å1.08Å
C20H11sing1.08Å1.08Å
C21H12sing1.08Å1.08Å
C22H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
C24H16sing1.09Å1.10Å
C24H17sing1.09Å1.10Å
C25H18sing1.09Å1.10Å
C25H19sing1.09Å1.10Å
C27H21sing1.09Å1.10Å
C27H22sing1.09Å1.10Å
C28H23sing1.09Å1.10Å
C28H24sing1.09Å1.10Å
C29H25sing1.09Å1.10Å
C29H26sing1.09Å1.10Å
C29H27sing1.09Å1.10Å
C30H28sing1.09Å1.10Å
C30H29sing1.09Å1.10Å
C30H30sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21C20C19120.3°120.1°
C20C21C15120.0°119.9°
C21C20H11119.9°120.0°
C20C21H12120.0°120.0°
C20C19C22122.0°119.8°
C20C19C18119.9°120.3°
C19C20H11119.8°119.9°
C19C22N23122.4°109.5°
C22C19C18118.0°119.8°
C19C22H13106.1°109.5°
C19C22H14106.1°109.5°
C22N23C24111.6°111.0°
C22N23C28115.9°111.0°
N23C22H13106.1°109.4°
N23C22H14106.1°109.5°
N23C24C25114.0°109.4°
C24N23C28117.3°110.9°
N23C24H16108.3°109.5°
N23C24H17108.3°109.5°
C24C25N26112.6°109.3°
C25C24H16108.3°109.5°
C25C24H17108.3°109.5°
C24C25H18108.7°109.4°
C24C25H19108.7°109.5°
C21C15C14119.5°120.1°
C21C15C17119.0°119.7°
C15C21H12120.0°120.1°
C19C18C17119.9°120.1°
C19C18H10120.0°120.0°
N23C28C27114.0°109.4°
N23C28H23108.3°109.5°
N23C28H24108.3°109.5°
C25N26C29115.1°111.0°
C25N26C27119.3°110.9°
N26C25H18108.7°109.5°
N26C25H19108.7°109.5°
O16C14C15120.5°120.0°
O16C14N13123.1°120.0°
C14C15C17121.5°120.1°
C15C14N13116.4°120.0°
C15C17C18120.8°119.8°
C15C17H1119.6°120.1°
C18C17H1119.6°120.1°
C17C18H10120.0°119.9°
C14N13C10125.9°120.0°
C14N13H9117.1°120.0°
C28C27N26113.3°109.3°
C28C27H21108.5°109.4°
C28C27H22108.5°109.5°
C27C28H23108.3°109.5°
C27C28H24108.3°109.5°
C29N26C27112.0°111.0°
N26C29H25109.5°109.5°
N26C29H26109.5°109.5°
N26C29H27109.4°109.5°
N26C27H21108.5°109.5°
N26C27H22108.5°109.5°
C30C04C05118.6°120.0°
C30C04C03121.2°120.0°
C04C30H28109.5°109.5°
C04C30H29109.5°109.5°
C04C30H30109.5°109.5°
N13C10C09128.3°126.1°
N13C10N11124.0°126.2°
C10N13H9117.0°120.0°
C04C05C06120.3°119.9°
C05C04C03120.2°120.1°
C04C05H5119.9°120.0°
C05C06C08125.8°120.0°
C05C06C07119.4°119.9°
C06C05H5119.8°120.0°
C10C09C08107.1°107.8°
C09C10N11107.3°107.7°
C10C09H7126.4°126.1°
C09C08C06126.0°125.9°
C09C08N12108.0°108.1°
C08C09H7126.4°126.1°
C10N11N12108.8°108.1°
C10N11H8125.6°126.0°
C04C03N01121.9°120.0°
C04C03C02118.3°120.1°
C06C08N12125.8°126.0°
C08C06C07114.8°120.1°
C08N12N11108.7°108.3°
C06C07C02121.3°120.0°
C06C07H6119.3°120.0°
N12N11H8125.6°125.9°
N01C03C02119.7°119.9°
C03N01H2109.5°120.0°
C03N01H3109.5°120.0°
C03C02C07120.4°120.0°
C03C02H4119.8°120.0°
C07C02H4119.8°120.0°
C02C07H6119.3°120.0°
H2N01H3109.4°120.0°
H13C22H14109.5°109.5°
H16C24H17109.5°109.4°
H18C25H19109.5°109.5°
H21C27H22109.5°109.5°
H23C28H24109.5°109.5°
H25C29H26109.5°109.5°
H25C29H27109.4°109.4°
H26C29H27109.5°109.5°
H28C30H29109.5°109.5°
H28C30H30109.4°109.4°
H29C30H30109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21C20C19H11180.0°179.4°
C21C20C19C22178.4°179.8°
C20C21C15H12180.0°179.5°
C21C20C19C182.1°0.3°
C20C21C15C14178.6°179.8°
C20C21C15C171.3°0.5°
C20C19C22C18176.3°179.9°
C20C19C22N2390.9°90.1°
C19C20C21C151.7°0.6°
C20C19C18C172.0°0.0°
C20C19C18H10178.1°179.9°
C19C20C21H12178.3°179.9°
C20C19C22H1330.9°29.9°
C20C19C22H14147.3°149.9°
C19C22N23H13121.8°120.0°
C19C22N23H14121.8°120.0°
C19C22N23C24178.3°66.2°
C19C22N23C2843.9°170.0°
C22C19C18C17178.4°179.9°
C22C19C18H101.6°0.0°
C22C19C20H111.6°0.4°
C19C22H13H14114.2°120.0°
C22N23C24C28137.1°123.9°
C22N23C24C25179.5°176.8°
N23C22C19C1892.8°90.0°
C22N23C28C27178.0°176.8°
N23C22H13H14114.1°120.0°
C22N23C24H1659.8°56.8°
C22N23C24H1758.8°63.2°
C22N23C28H2361.3°63.2°
C22N23C28H2457.4°56.8°
N23C24C25H16120.7°120.0°
N23C24C25H17120.7°120.0°
N23C24C25N262.7°58.4°
C24N23C28C2746.7°59.3°
C24N23C22H1356.5°53.8°
C24N23C22H1459.9°173.8°
N23C24H16H17117.9°120.0°
N23C24C25H18123.1°61.6°
N23C24C25H19117.8°178.3°
C24N23C28H2374.0°60.7°
C24N23C28H24167.3°179.2°
C25C24N23C2842.4°59.3°
C24C25N26H18120.5°119.9°
C24C25N26H19120.5°119.9°
C24C25N26C29178.9°64.6°
C24C25N26C2743.7°59.3°
C25C24H16H17117.9°120.1°
C24C25H18H19118.6°120.0°
C21C15C14O1616.9°179.7°
C21C15C14C17177.3°179.7°
C21C15C17C181.2°0.2°
C21C15C14N13162.1°0.3°
C21C15C17H1178.8°179.7°
C15C21C20H11178.2°180.0°
C19C18C17C151.5°0.1°
C19C18C17H10180.0°179.9°
C19C18C17H1178.4°180.0°
C18C19C20H11177.9°179.7°
C18C19C22H13145.4°150.0°
C18C19C22H1429.0°30.0°
N23C28C27H23120.7°120.0°
N23C28C27H24120.7°120.0°
N23C28C27N266.2°58.3°
C28N23C22H13165.7°70.0°
C28N23C22H1477.9°50.0°
C28N23C24H16163.1°179.3°
C28N23C24H1778.3°60.7°
N23C28C27H21126.8°61.6°
N23C28C27H22114.4°178.4°
N23C28H23H24117.9°120.1°
C25N26C27C2839.8°59.3°
C25N26C29C27140.5°123.9°
N26C25C24H16118.0°178.4°
N26C25C24H17123.4°61.6°
N26C25H18H19118.6°120.1°
C25N26C27H2180.8°60.6°
C25N26C27H22160.4°179.3°
C25N26C29H25180.0°60.0°
C25N26C29H2660.0°180.0°
C25N26C29H2760.0°59.9°
O16C14C15N13179.0°180.0°
O16C14C15C17165.8°0.0°
O16C14N13C104.1°0.0°
O16C14N13H9175.8°180.0°
C14C15C17C18178.5°179.9°
C15C14N13C10174.8°180.0°
C14C15C17H11.5°0.0°
C15C14N13H95.2°0.0°
C14C15C21H121.4°0.3°
C15C17C18H1180.0°179.9°
C17C15C14N1315.2°180.0°
C15C17C18H10178.5°179.9°
C17C15C21H12178.7°180.0°
C14N13C10H9180.0°180.0°
C14N13C10C0913.4°0.2°
C14N13C10N11175.0°180.0°
C28C27N26C29178.5°64.6°
C28C27N26H21120.6°119.9°
C28C27N26H22120.6°120.0°
C28C27H21H22118.2°120.0°
C27C28H23H24117.9°120.0°
C29N26C25H1858.4°175.5°
C29N26C25H1960.7°55.4°
C29N26C27H2157.9°175.5°
C29N26C27H2261.0°55.4°
N26C29H25H26120.0°120.0°
N26C29H25H27120.0°120.0°
N26C29H26H27120.0°120.0°
C27N26C25H18164.1°60.6°
C27N26C25H1976.8°179.3°
N26C27H21H22118.3°120.1°
N26C27C28H23114.5°61.6°
N26C27C28H24126.9°178.3°
C27N26C29H2539.5°63.9°
C27N26C29H26159.5°56.1°
C27N26C29H2780.5°176.2°
C30C04C05C03179.6°180.0°
C30C04C05C06178.7°180.0°
C30C04C03N011.5°0.0°
C30C04C03C02179.9°180.0°
C30C04C05H51.3°0.1°
C04C30H28H29120.0°120.1°
C04C30H28H30120.0°120.0°
C04C30H29H30120.0°120.0°
N13C10C09N11172.7°179.8°
N13C10C09C08176.4°179.7°
N13C10N11N12175.8°179.8°
N13C10C09H73.6°0.2°
N13C10N11H84.2°0.2°
C04C05C06H5180.0°179.9°
C04C05C06C08179.0°180.0°
C04C05C06C071.8°0.3°
C05C04C03N01178.9°180.0°
C05C04C03C020.3°0.0°
C05C04C30H2890.2°90.0°
C05C04C30H29149.8°30.0°
C05C04C30H3029.8°150.0°
C05C06C08C0944.9°180.0°
C06C05C04C031.0°0.0°
C05C06C08C07177.3°179.7°
C05C06C08N12140.7°0.1°
C05C06C07C021.4°0.5°
C05C06C07H6178.6°180.0°
C10C09C08H7180.0°179.9°
C10C09C08C06178.6°180.0°
C10C09C08N123.4°0.1°
C09C10N11N122.7°0.0°
C09C10N11H8177.3°180.0°
C09C10N13H9166.6°179.8°
C08C09C10N113.7°0.1°
C09C08C06N12174.4°179.9°
C09C08C06C07132.4°0.3°
C09C08N12N111.8°0.0°
C10N11N12C080.6°0.0°
C10N11N12H8180.0°180.0°
N11C10C09H7176.3°180.0°
N11C10N13H95.0°0.0°
C04C03N01C02178.5°180.0°
C04C03C02C070.7°0.2°
C04C03N01H2180.0°180.0°
C04C03N01H360.0°0.0°
C04C03C02H4179.3°179.9°
C03C04C05H5179.1°179.9°
C03C04C30H2890.2°90.0°
C03C04C30H2929.8°150.0°
C03C04C30H30149.8°30.0°
C06C08N12N11177.1°180.0°
C08C06C07C02178.9°179.8°
C08C06C05H51.0°0.1°
C08C06C07H61.1°0.2°
C06C08C09H71.4°0.1°
N12C08C06C0742.0°179.8°
N12C08C09H7176.6°180.0°
C08N12N11H8179.4°180.0°
C06C07C02C030.1°0.5°
C06C07C02H6180.0°179.5°
C06C07C02H4179.9°179.8°
C07C06C05H5178.2°179.8°
N01C03C02C07179.3°179.8°
C03N01H2H3120.0°180.0°
N01C03C02H40.7°0.0°
C03C02C07H4180.0°179.7°
C02C03N01H21.5°0.0°
C02C03N01H3121.4°180.0°
C03C02C07H6179.9°180.0°
H1C17C18H101.5°0.1°
H4C02C07H60.1°0.3°
H11C20C21H121.8°0.5°
H16C24C25H182.5°58.4°
H16C24C25H19121.5°61.7°
H17C24C25H18116.2°178.4°
H17C24C25H192.9°58.3°
H21C27C28H236.1°178.4°
H21C27C28H24112.6°58.4°
H22C27C28H23125.0°58.4°
H22C27C28H246.3°61.6°
H25C29H26H27120.0°119.9°
H28C30H29H30119.9°119.9°

219869

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