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396

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26C27sing1.54Å1.52Å
C26N4sing1.49Å1.48Å
C27C29sing1.54Å1.51Å
C29C25sing1.54Å1.56Å
C25N4sing1.49Å1.48Å
N4C24sing1.47Å1.49Å
C24C23sing1.53Å1.51Å
C23N3sing1.46Å1.50Å
N3C22sing1.35Å1.32Å
C22O4doub1.22Å1.22Å
C22C20sing1.47Å1.53Å
C20C18doub1.39Å1.40ÅAromatic
C20C19sing1.40Å1.40ÅAromatic
C18C16sing1.39Å1.41ÅAromatic
C19O3sing1.36Å1.40Å
C19C17doub1.38Å1.40ÅAromatic
C17C15sing1.40Å1.41ÅAromatic
C15C16doub1.41Å1.41ÅAromatic
C15C13sing1.47Å1.40ÅAromatic
C16N2sing1.39Å1.32ÅAromatic
N2C21sing1.46Å1.48Å
N2C14sing1.38Å1.35ÅAromatic
C14C1doub1.39Å1.41ÅAromatic
C14C13sing1.41Å1.41ÅAromatic
C1C2sing1.39Å1.38ÅAromatic
C13C4doub1.40Å1.43ÅAromatic
C4C5sing1.48Å1.41Å
C4C3sing1.41Å1.41ÅAromatic
C5O1doub1.21Å1.23Å
C5N1sing1.35Å1.35Å
N1C6sing1.35Å1.32Å
C6O2doub1.21Å1.22Å
C6C3sing1.47Å1.41Å
C3C2doub1.40Å1.41ÅAromatic
C2C7sing1.48Å1.44ÅAromatic
C7C12doub1.39Å1.40ÅAromatic
C7C8sing1.40Å1.44ÅAromatic
C12C11sing1.38Å1.41ÅAromatic
C11C10doub1.38Å1.39ÅAromatic
C10C9sing1.38Å1.41ÅAromatic
C9C8doub1.38Å1.42ÅAromatic
C8CL5sing1.74Å1.72Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
N3HN3sing0.97Å1.00Å
C18H18sing1.08Å1.08Å
O3HO3sing0.97Å0.95Å
C17H17sing1.08Å1.08Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C21H21Bsing1.09Å1.10Å
C1H1sing1.08Å1.08Å
N1HN1sing0.97Å1.00Å
C12H12sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C27C26N4104.8°104.6°
C26C27C2995.9°105.0°
C27C26H26111.1°110.4°
C27C26H26A112.0°110.4°
C26C27H27114.3°110.3°
C26C27H27A116.9°110.3°
C26N4C25104.1°104.2°
C26N4C24107.2°110.9°
N4C26H26111.0°110.4°
N4C26H26A112.1°110.4°
C27C29C25100.6°105.1°
C29C27H27114.2°110.3°
C29C27H27A116.9°110.4°
C27C29H29112.5°110.3°
C27C29H29A114.4°110.3°
C29C25N4105.2°104.5°
C25C29H29112.6°110.3°
C25C29H29A114.4°110.3°
C29C25H25110.9°110.4°
C29C25H25A111.9°110.4°
C25N4C24113.3°111.0°
N4C25H25110.9°110.4°
N4C25H25A111.9°110.5°
N4C24C23111.1°109.4°
N4C24H24108.9°109.5°
N4C24H24A108.6°109.5°
C24C23N3114.7°109.5°
C23C24H24108.9°109.4°
C23C24H24A108.6°109.5°
C24C23H23107.8°109.4°
C24C23H23A106.6°109.4°
C23N3C22118.6°120.0°
N3C23H23107.8°109.5°
N3C23H23A106.6°109.5°
C23N3HN3120.7°120.0°
N3C22O4121.2°120.0°
N3C22C20113.7°120.0°
C22N3HN3120.7°120.0°
O4C22C20122.6°120.0°
C22C20C18114.8°119.9°
C22C20C19122.1°119.9°
C18C20C19122.9°120.2°
C20C18C16117.8°120.0°
C20C18H18121.1°120.0°
C20C19O3122.4°120.0°
C20C19C17118.0°120.0°
C18C16C15120.8°119.6°
C18C16N2131.4°132.1°
C16C18H18121.1°120.0°
O3C19C17119.5°120.0°
C19O3HO3109.5°114.0°
C19C17C15121.2°119.8°
C19C17H17119.4°120.1°
C17C15C16119.1°120.4°
C17C15C13132.6°133.1°
C15C17H17119.4°120.1°
C16C15C13108.2°106.5°
C15C16N2107.7°108.4°
C15C13C14104.6°106.5°
C15C13C4136.1°133.5°
C16N2C21122.9°124.8°
C16N2C14110.1°110.3°
C21N2C14126.9°124.8°
N2C21H21109.5°109.5°
N2C21H21A109.5°109.5°
N2C21H21B109.5°109.5°
N2C14C1131.5°131.9°
N2C14C13109.2°108.3°
C1C14C13119.0°119.8°
C14C1C2122.9°120.5°
C14C1H1118.5°119.8°
C14C13C4119.3°120.0°
C1C2C3117.8°120.1°
C1C2C7118.6°120.0°
C2C1H1118.6°119.8°
C13C4C5136.6°134.4°
C13C4C3119.2°119.8°
C5C4C3104.1°105.9°
C4C5O1125.5°125.7°
C4C5N1112.0°108.5°
C4C3C6105.7°106.0°
C4C3C2121.6°119.9°
O1C5N1122.0°125.8°
C5N1C6106.1°111.0°
C5N1HN1126.9°124.5°
N1C6O2123.4°125.7°
N1C6C3112.1°108.6°
C6N1HN1127.0°124.5°
O2C6C3124.5°125.7°
C6C3C2132.7°134.1°
C3C2C7123.6°120.0°
C2C7C12120.7°120.2°
C2C7C8121.3°120.1°
C12C7C8117.9°119.7°
C7C12C11118.5°119.9°
C7C12H12120.8°120.0°
C7C8C9122.6°119.8°
C7C8CL5124.8°120.1°
C12C11C10124.2°120.1°
C11C12H12120.7°120.0°
C12C11H11117.9°120.0°
C11C10C9118.4°120.3°
C10C11H11117.9°119.9°
C11C10H10120.8°119.8°
C10C9C8118.3°120.1°
C9C10H10120.8°119.9°
C10C9H9120.8°119.9°
C9C8CL5112.5°120.1°
C8C9H9120.8°119.9°
H26C26H26A105.9°110.5°
H27C27H27A99.6°110.4°
H29C29H29A102.8°110.3°
H25C25H25A106.2°110.5°
H24C24H24A110.7°109.5°
H23C23H23A113.7°109.5°
H21C21H21A109.5°109.4°
H21C21H21B109.5°109.5°
H21AC21H21B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C27C26N4H26120.0°118.8°
C27C26N4H26A121.8°118.7°
C26C27C29H27120.0°118.9°
C26C27C29H27A124.3°118.8°
C26C27C29C2549.5°0.0°
C27C26N4C2531.1°39.6°
C27C26N4C24151.4°159.1°
C27C26H26H26A121.9°122.4°
C26C27H27H27A125.4°122.1°
C26C27C29H29169.5°119.0°
C26C27C29H29A73.6°118.9°
N4C26C27C2951.2°23.9°
C26N4C25C291.5°39.5°
C26N4C25C24116.1°119.5°
C26N4C24C23159.6°170.0°
N4C26H26H26A121.9°122.4°
N4C26C27H2768.8°95.0°
N4C26C27H27A175.5°142.8°
C26N4C25H25118.5°158.3°
C26N4C25H25A123.2°79.2°
C26N4C24H2480.4°70.1°
C26N4C24H24A40.2°50.0°
C27C29C25H29120.0°119.0°
C27C29C25H29A123.1°118.9°
C27C29C25N433.3°23.9°
C29C27C26H2668.8°94.9°
C29C27C26H26A172.9°142.6°
C29C27H27H27A125.4°122.2°
C27C29H29H29A123.6°122.1°
C27C29C25H2586.7°142.6°
C27C29C25H25A154.9°94.9°
C29C25N4H25120.0°118.7°
C29C25N4H25A121.6°118.7°
C29C25N4C24114.6°159.0°
C25C29C27H2770.5°118.9°
C25C29C27H27A173.9°118.9°
C25C29H29H29A123.6°122.2°
C29C25H25H25A121.7°122.4°
C25N4C24C2386.2°74.6°
C25N4C26H2688.9°79.2°
C25N4C26H26A152.9°158.3°
N4C25C29H29153.3°95.1°
N4C25C29H29A89.8°142.8°
N4C25H25H25A121.7°122.5°
C25N4C24H2433.9°45.3°
C25N4C24H24A154.5°165.4°
N4C24C23H24120.0°119.9°
N4C24C23H24A119.3°120.0°
N4C24C23N381.3°180.0°
C24N4C26H2631.4°40.3°
C24N4C26H26A86.8°82.2°
C24N4C25H25125.4°82.3°
C24N4C25H25A7.1°40.3°
N4C24H24H24A119.3°120.0°
N4C24C23H23158.7°60.0°
N4C24C23H23A36.3°60.0°
C24C23N3H23120.0°120.0°
C24C23N3H23A117.7°120.0°
C24C23N3C22117.3°180.0°
C23C24H24H24A119.3°120.0°
C24C23H23H23A117.9°120.0°
C24C23N3HN362.7°0.0°
C23N3C22HN3180.0°179.9°
C23N3C22O43.2°0.0°
C23N3C22C20166.0°180.0°
N3C23C24H2438.7°60.0°
N3C23C24H24A159.3°60.0°
N3C23H23H23A117.9°120.0°
N3C22O4C20161.2°180.0°
N3C22C20C18135.6°0.0°
N3C22C20C1939.9°179.8°
C22N3C23H23122.7°60.0°
C22N3C23H23A0.3°60.1°
O4C22C20C1826.9°180.0°
O4C22C20C19157.6°0.2°
O4C22N3HN3176.8°180.0°
C22C20C18C19175.5°179.8°
C22C20C18C16177.8°179.9°
C22C20C19O35.8°0.0°
C22C20C19C17178.1°180.0°
C20C22N3HN314.0°0.0°
C22C20C18H182.2°0.0°
C20C18C16H18180.0°180.0°
C18C20C19O3179.0°179.8°
C18C20C19C172.9°0.2°
C20C18C16C152.1°0.1°
C20C18C16N2180.0°180.0°
C19C20C18C162.3°0.3°
C20C19O3C17176.0°180.0°
C20C19C17C153.3°0.0°
C19C20C18H18177.7°179.7°
C20C19O3HO31.8°90.0°
C20C19C17H17176.7°180.0°
C18C16C15C172.5°0.2°
C18C16C15N2178.4°179.9°
C18C16C15C13178.1°180.0°
C18C16N2C211.6°0.0°
C18C16N2C14175.8°180.0°
O3C19C17C15179.5°180.0°
O3C19C17H170.5°0.0°
C19C17C15H17180.0°180.0°
C19C17C15C163.2°0.3°
C19C17C15C13177.6°180.0°
C17C19O3HO3177.8°90.0°
C17C15C16C13179.4°179.8°
C17C15C16N2179.1°179.7°
C17C15C13C14179.0°179.7°
C17C15C13C41.8°0.0°
C15C16N2C21179.7°180.0°
C15C16N2C142.3°0.0°
C16C15C13C141.7°0.1°
C16C15C13C4178.9°179.7°
C15C16C18H18178.0°180.0°
C16C15C17H17176.8°179.7°
C13C15C16N20.3°0.1°
C15C13C14N23.1°0.1°
C15C13C14C1177.9°180.0°
C15C13C14C4177.8°179.7°
C15C13C4C53.2°0.1°
C15C13C4C3179.5°180.0°
C13C15C17H172.4°0.0°
C16N2C21C14177.0°180.0°
C16N2C14C1177.3°179.9°
C16N2C14C133.5°0.0°
N2C16C18H180.0°0.0°
C16N2C21H21169.3°90.1°
C16N2C21H21A49.2°150.0°
C16N2C21H21B70.7°30.0°
C21N2C14C15.3°0.1°
C21N2C14C13179.2°180.0°
N2C21H21H21A120.0°119.9°
N2C21H21H21B120.0°120.0°
N2C21H21AH21B120.0°120.1°
N2C14C1C13173.4°179.9°
N2C14C1C2177.9°180.0°
N2C14C13C4179.1°179.8°
C14N2C21H217.7°89.9°
C14N2C21H21A127.8°30.0°
C14N2C21H21B112.3°150.0°
N2C14C1H12.1°0.1°
C14C1C2H1180.0°179.9°
C1C14C13C44.4°0.3°
C14C1C2C32.7°0.0°
C14C1C2C7176.5°180.0°
C13C14C1C24.5°0.1°
C14C13C4C5180.0°179.7°
C14C13C4C32.6°0.4°
C13C14C1H1175.5°180.0°
C1C2C3C40.8°0.1°
C1C2C3C6177.5°179.7°
C1C2C3C7179.1°180.0°
C1C2C7C1259.6°65.0°
C1C2C7C8116.6°115.3°
C13C4C5C3177.6°179.9°
C13C4C5O18.6°0.1°
C13C4C5N1179.1°179.9°
C13C4C3C6177.9°180.0°
C13C4C3C20.8°0.3°
C4C5O1N1171.6°180.0°
C4C5N1C62.6°0.0°
C5C4C3C60.3°0.1°
C5C4C3C2178.9°179.8°
C4C5N1HN1177.4°179.9°
C3C4C5O1173.8°180.0°
C3C4C5N11.4°0.1°
C4C3C6N11.9°0.1°
C4C3C6O2178.7°180.0°
C4C3C6C2178.5°179.6°
C4C3C2C7178.4°179.9°
O1C5N1C6175.3°180.0°
O1C5N1HN14.8°0.1°
C5N1C6HN1180.0°179.9°
C5N1C6O2177.8°179.9°
C5N1C6C32.8°0.1°
N1C6O2C3179.3°179.9°
N1C6C3C2179.6°179.7°
O2C6C3C20.2°0.4°
O2C6N1HN12.1°0.1°
C6C3C2C73.4°0.3°
C3C6N1HN1177.2°180.0°
C3C2C7C12121.3°115.0°
C3C2C7C862.6°64.7°
C3C2C1H1177.3°179.9°
C2C7C12C8176.3°179.7°
C2C7C12C11178.0°180.0°
C2C7C8C9178.4°179.7°
C2C7C8CL50.4°0.0°
C7C2C1H13.5°0.1°
C2C7C12H122.0°0.0°
C7C12C11H12180.0°180.0°
C7C12C11C101.2°0.0°
C12C7C8C92.2°0.6°
C12C7C8CL5175.8°179.7°
C7C12C11H11178.7°180.0°
C8C7C12C111.8°0.3°
C7C8C9C100.5°0.6°
C7C8C9CL5178.2°179.7°
C8C7C12H12178.2°179.7°
C7C8C9H9179.5°179.6°
C12C11C10H11180.0°180.0°
C12C11C10C93.9°0.0°
C12C11C10H10176.1°180.0°
C11C10C9H10180.0°180.0°
C11C10C9C83.4°0.3°
C10C11C12H12178.8°180.0°
C11C10C9H9176.6°179.9°
C10C9C8H9180.0°179.7°
C10C9C8CL5178.7°179.7°
C9C10C11H11176.1°180.0°
C8C9C10H10176.6°179.7°
CL5C8C9H91.3°0.0°
H26C26C27H27171.2°146.2°
H26C26C27H27A55.5°24.0°
H26AC26C27H2753.0°23.7°
H26AC26C27H27A62.7°98.5°
H27C27C29H2949.6°0.1°
H27C27C29H29A166.4°122.2°
H27AC27C29H2966.1°122.2°
H27AC27C29H29A50.7°0.1°
H29C29C25H2533.3°23.7°
H29C29C25H25A85.1°146.1°
H29AC29C25H25150.2°98.5°
H29AC29C25H25A31.9°24.0°
H24C24C23H2381.3°180.0°
H24C24C23H23A156.3°60.0°
H24AC24C23H2339.4°60.0°
H24AC24C23H23A83.0°180.0°
H23C23N3HN357.3°119.9°
H23AC23N3HN3179.7°120.0°
H21C21H21AH21B120.0°120.0°
H12C12C11H111.3°0.0°
H11C11C10H103.9°0.0°
H10C10C9H93.4°0.1°

248636

PDB entries from 2026-02-04

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