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4JZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C24sing1.53Å1.54Å
C7C9doub1.38Å1.39ÅAromatic
C7C16sing1.38Å1.39ÅAromatic
C6C18doub1.39Å1.40ÅAromatic
C6C5sing1.39Å1.40ÅAromatic
C9C17sing1.39Å1.39ÅAromatic
C13C20doub1.35Å1.41Å
C13C22sing1.41Å1.36Å
C20C24sing1.51Å1.51Å
C20N28sing1.37Å1.31Å
C21C12doub1.36Å1.37ÅAromatic
C21N25sing1.35Å1.34ÅAromatic
C21N29sing1.39Å1.39Å
C8C16doub1.38Å1.38ÅAromatic
C8C10sing1.38Å1.39ÅAromatic
C18C14sing1.39Å1.39ÅAromatic
C18O33sing1.36Å1.37Å
C16C1sing1.51Å1.52Å
C19C12sing1.40Å1.41ÅAromatic
C19C15sing1.51Å1.52Å
C19N27doub1.31Å1.31ÅAromatic
C2C24sing1.53Å1.52Å
C3C24sing1.53Å1.53Å
C5C11doub1.38Å1.39ÅAromatic
C10C17doub1.39Å1.40ÅAromatic
C11N26sing1.32Å1.32ÅAromatic
C14N26doub1.32Å1.33ÅAromatic
C15O33sing1.43Å1.41Å
C17N31sing1.40Å1.41Å
C22N30doub1.33Å1.41Å
C22N31sing1.38Å1.36Å
C23N29sing1.35Å1.35Å
C23N30sing1.34Å1.35Å
C23O32doub1.22Å1.23Å
N25N27sing1.40Å1.38ÅAromatic
N28N31sing1.40Å1.40Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C4H4Bsing1.09Å1.10Å
C7H7sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C2H2Bsing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C3H3Bsing1.09Å1.10Å
C5H5sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
N25HN25sing0.97Å1.00Å
N28HN28sing0.97Å1.00Å
N29HN29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C24C20108.8°109.5°
C4C24C2109.5°109.5°
C4C24C3110.8°109.4°
C24C4H4109.5°109.5°
C24C4H4A109.5°109.4°
C24C4H4B109.5°109.4°
C9C7C16121.6°120.0°
C7C9C17118.5°119.9°
C9C7H7119.2°120.0°
C7C9H9120.8°120.0°
C7C16C8119.7°120.2°
C7C16C1120.8°119.9°
C16C7H7119.2°120.0°
C18C6C5118.8°118.4°
C6C18C14118.8°119.0°
C6C18O33122.4°120.5°
C18C6H6120.6°120.8°
C6C5C11119.0°119.3°
C5C6H6120.6°120.8°
C6C5H5120.5°120.4°
C9C17C10119.6°119.9°
C9C17N31124.0°120.1°
C17C9H9120.7°120.1°
C20C13C22108.2°108.3°
C13C20C24128.2°125.5°
C13C20N28108.0°109.0°
C20C13H13125.9°125.8°
C13C22N30128.9°126.4°
C13C22N31106.8°107.2°
C22C13H13125.9°125.9°
C24C20N28123.9°125.5°
C20C24C2108.2°109.5°
C20C24C3112.7°109.5°
C20N28N31108.6°108.3°
C20N28HN28109.8°125.8°
C12C21N25107.9°107.6°
C12C21N29133.5°126.2°
C21C12C19105.9°107.8°
C21C12H12127.0°126.1°
N25C21N29118.0°126.2°
C21N25N27109.1°107.9°
C21N25HN25125.5°126.0°
C21N29C23125.9°120.0°
C21N29HN29117.0°120.0°
C16C8C10119.3°120.1°
C8C16C1119.4°120.0°
C16C8H8120.4°120.0°
C8C10C17121.3°119.9°
C10C8H8120.4°119.9°
C8C10H10119.3°120.0°
C14C18O33118.8°120.5°
C18C14N26120.2°120.7°
C18C14H14119.9°119.7°
C18O33C15119.3°117.0°
C16C1H1109.5°109.5°
C16C1H1A109.5°109.4°
C16C1H1B109.5°109.5°
C12C19C15129.1°125.8°
C12C19N27108.9°108.3°
C19C12H12127.0°126.1°
C15C19N27122.0°125.8°
C19C15O33111.5°109.5°
C19C15H15108.8°109.4°
C19C15H15A108.3°109.5°
C19N27N25108.1°108.4°
C2C24C3106.9°109.4°
C24C2H2109.5°109.5°
C24C2H2A109.5°109.5°
C24C2H2B109.5°109.5°
C24C3H3109.5°109.5°
C24C3H3A109.5°109.5°
C24C3H3B109.5°109.5°
C5C11N26120.2°120.8°
C11C5H5120.5°120.3°
C5C11H11119.9°119.6°
C10C17N31116.4°120.0°
C17C10H10119.4°120.1°
C11N26C14122.9°121.8°
N26C11H11119.9°119.6°
N26C14H14119.9°119.6°
O33C15H15108.8°109.5°
O33C15H15A108.3°109.5°
C17N31C22130.3°126.3°
C17N31N28121.3°126.4°
N30C22N31124.2°126.4°
C22N30C23125.0°120.1°
C22N31N28108.4°107.3°
N29C23N30115.1°120.0°
N29C23O32122.4°120.0°
C23N29HN29117.1°120.0°
N30C23O32122.4°120.0°
N27N25HN25125.4°126.1°
N31N28HN28109.8°125.9°
H4C4H4A109.5°109.5°
H4C4H4B109.5°109.5°
H4AC4H4B109.5°109.5°
H1C1H1A109.5°109.4°
H1C1H1B109.5°109.5°
H1AC1H1B109.5°109.5°
H2C2H2A109.5°109.5°
H2C2H2B109.4°109.4°
H2AC2H2B109.5°109.4°
H3C3H3A109.5°109.4°
H3C3H3B109.4°109.5°
H3AC3H3B109.5°109.5°
H15C15H15A111.1°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C24C20C13149.5°0.0°
C4C24C20C2118.8°120.0°
C4C24C20C3123.2°120.0°
C4C24C20N2830.0°180.0°
C4C24C2C3120.0°120.0°
C24C4H4H4A120.0°120.0°
C24C4H4H4B120.0°120.0°
C24C4H4AH4B120.0°120.0°
C4C24C2H275.5°60.0°
C4C24C2H2A44.5°180.0°
C4C24C2H2B164.5°60.0°
C4C24C3H3114.9°60.0°
C4C24C3H3A5.1°180.0°
C4C24C3H3B125.1°60.0°
C9C7C16H7180.0°179.8°
C7C9C17H9180.0°180.0°
C9C7C16C82.7°0.0°
C9C7C16C1179.2°180.0°
C7C9C17C100.6°0.0°
C7C9C17N31179.2°180.0°
C16C7C9C171.3°0.0°
C7C16C8C1176.6°180.0°
C7C16C8C102.1°0.0°
C16C7C9H9178.7°180.0°
C7C16C8H8177.9°179.9°
C7C16C1H129.4°90.1°
C7C16C1H1A149.4°150.0°
C7C16C1H1B90.6°29.9°
C18C6C5H6180.0°179.7°
C6C18C14O33179.6°180.0°
C18C6C5C110.1°0.0°
C6C18C14N260.4°0.0°
C6C18O33C154.3°180.0°
C18C6C5H5179.9°179.9°
C6C18C14H14179.6°180.0°
C5C6C18C140.1°0.0°
C5C6C18O33179.5°180.0°
C6C5C11H5180.0°179.9°
C6C5C11N260.1°0.1°
C6C5C11H11179.9°180.0°
C9C17C10C81.1°0.0°
C9C17C10N31179.7°180.0°
C9C17N31C2250.4°0.0°
C9C17N31N28130.8°180.0°
C17C9C7H7178.7°179.7°
C9C17C10H10178.9°180.0°
C20C13C22H13180.0°179.7°
C13C20C24N28179.5°179.9°
C13C20C24C291.6°120.0°
C13C20C24C326.3°120.0°
C20C13C22N30179.7°180.0°
C20C13C22N310.1°0.0°
C13C20N28N310.7°0.0°
C13C20N28HN28119.3°180.0°
C22C13C20C24179.9°180.0°
C22C13C20N280.5°0.0°
C13C22N31C17178.6°180.0°
C13C22N30N31179.8°179.9°
C13C22N30C2329.5°0.0°
C13C22N31N280.3°0.0°
C20C24C2C3121.6°120.0°
C24C20N28N31179.7°180.0°
C20C24C4H46.6°60.0°
C20C24C4H4A126.6°180.0°
C20C24C4H4B113.4°60.0°
C24C20C13H130.0°0.3°
C20C24C2H242.8°180.0°
C20C24C2H2A162.9°60.0°
C20C24C2H2B77.1°60.0°
C20C24C3H3123.0°59.9°
C20C24C3H3A117.0°60.0°
C20C24C3H3B3.0°180.0°
C24C20N28HN2860.3°0.0°
N28C20C24C288.9°59.9°
N28C20C24C3153.2°60.1°
C20N28N31C17178.4°180.0°
C20N28N31C220.7°0.0°
C20N28N31HN28120.0°180.0°
N28C20C13H13179.5°179.7°
C12C21N25N29172.1°179.7°
C21C12C19H12180.0°180.0°
C21C12C19C15179.8°180.0°
C21C12C19N272.5°0.1°
C12C21N29C2326.5°0.0°
C12C21N25N273.3°0.0°
C12C21N25HN25176.7°180.0°
C12C21N29HN29153.4°180.0°
N25C21C12C193.5°0.0°
C21N25N27C191.7°0.1°
N25C21N29C23143.1°179.6°
C21N25N27HN25180.0°180.0°
N25C21C12H12176.5°180.0°
N25C21N29HN2936.9°0.3°
N29C21C12C19173.9°179.7°
C21N29C23HN29180.0°179.9°
C21N29C23N30171.7°180.0°
C21N29C23O329.7°0.1°
N29C21N25N27175.4°179.8°
N29C21C12H126.1°0.3°
N29C21N25HN254.6°0.3°
C16C8C10H8180.0°180.0°
C16C8C10C170.3°0.0°
C8C16C7H7177.3°179.7°
C8C16C1H1154.1°90.0°
C8C16C1H1A34.0°30.0°
C8C16C1H1B86.0°150.0°
C16C8C10H10179.7°180.0°
C10C8C16C1178.7°180.0°
C8C10C17H10180.0°179.9°
C8C10C17N31178.7°180.0°
C18C14N26C110.6°0.0°
C18C14N26H14180.0°179.9°
C14C18O33C15175.3°0.1°
C14C18C6H6179.9°179.7°
C18O33C15C19177.7°180.0°
O33C18C14N26179.2°180.0°
O33C18C6H60.5°0.3°
O33C18C14H140.7°0.1°
C18O33C15H1557.7°60.0°
C18O33C15H15A63.2°60.0°
C1C16C7H70.8°0.2°
C1C16C8H81.3°0.0°
C16C1H1H1A120.0°119.9°
C16C1H1H1B120.0°120.0°
C16C1H1AH1B120.0°120.0°
C12C19C15N27177.5°179.9°
C12C19C15O3371.7°0.1°
C12C19N27N250.5°0.1°
C12C19C15H1548.2°120.0°
C12C19C15H15A169.1°120.0°
C19C15O33H15120.0°119.9°
C19C15O33H15A119.1°120.1°
C15C19N27N25178.4°180.0°
C15C19C12H120.3°0.0°
C19C15H15H15A119.2°120.0°
N27C19C15O33110.8°180.0°
N27C19C12H12177.5°180.0°
N27C19C15H15129.3°60.0°
N27C19C15H15A8.4°59.9°
C19N27N25HN25178.3°180.0°
C2C24C4H4124.6°180.0°
C2C24C4H4A115.4°60.0°
C2C24C4H4B4.6°60.0°
C24C2H2H2A120.0°120.1°
C24C2H2H2B120.0°120.0°
C24C2H2AH2B120.0°120.0°
C2C24C3H34.2°180.0°
C2C24C3H3A124.2°60.0°
C2C24C3H3B115.8°60.0°
C3C24C4H4117.8°60.0°
C3C24C4H4A2.2°60.0°
C3C24C4H4B122.2°180.0°
C3C24C2H2164.4°60.0°
C3C24C2H2A75.5°60.0°
C3C24C2H2B44.5°180.0°
C24C3H3H3A120.0°120.0°
C24C3H3H3B120.0°120.1°
C24C3H3AH3B120.0°120.0°
C5C11N26H11180.0°179.9°
C5C11N26C140.4°0.0°
C11C5C6H6179.9°179.7°
C10C17N31C22129.9°180.0°
C10C17N31N2848.9°0.0°
C10C17C9H9179.4°180.0°
C17C10C8H8179.7°179.9°
N26C11C5H5179.9°180.0°
C11N26C14H14179.5°180.0°
C14N26C11H11179.6°179.9°
O33C15H15H15A119.2°120.0°
C17N31C22N301.2°0.1°
C17N31C22N28178.9°180.0°
N31C17C9H90.8°0.0°
N31C17C10H101.3°0.1°
C17N31N28HN2861.6°0.0°
C22N30C23N29177.7°180.0°
C22N30C23O323.7°0.0°
N30C22N31N28179.9°179.9°
N30C22C13H130.3°0.3°
N31C22N30C23150.7°180.0°
N31C22C13H13179.9°179.7°
C22N31N28HN28119.3°180.0°
N29C23N30O32178.6°179.9°
N30C23N29HN298.3°0.1°
O32C23N29HN29170.3°180.0°
H4C4H4AH4B120.0°120.1°
H7C7C9H91.3°0.2°
H6C6C5H50.1°0.2°
H8C8C10H100.3°0.0°
H1C1H1AH1B120.0°120.0°
H2C2H2AH2B120.0°119.9°
H3C3H3AH3B120.0°120.0°
H5C5C11H110.1°0.1°

246704

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