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61E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26N3sing1.47Å1.49Å
N3C25sing1.47Å1.52Å
N3C24sing1.47Å1.53Å
C24C23sing1.53Å1.59Å
C23C22sing1.53Å1.57Å
C22O4sing1.43Å1.49Å
O4C20sing1.36Å1.38Å
C20C18doub1.38Å1.43ÅAromatic
C20C19sing1.40Å1.41ÅAromatic
C18C16sing1.39Å1.41ÅAromatic
C19O3sing1.36Å1.26Å
C19C17doub1.38Å1.43ÅAromatic
C17C15sing1.40Å1.41ÅAromatic
C15C16doub1.40Å1.43ÅAromatic
C15C13sing1.47Å1.39ÅAromatic
C16N2sing1.39Å1.34ÅAromatic
N2C21sing1.47Å1.52Å
N2C14sing1.38Å1.32ÅAromatic
C14C1doub1.39Å1.41ÅAromatic
C14C13sing1.41Å1.40ÅAromatic
C1C2sing1.39Å1.39ÅAromatic
C13C4doub1.40Å1.43ÅAromatic
C4C5sing1.48Å1.41Å
C4C3sing1.41Å1.41ÅAromatic
C5O1doub1.21Å1.23Å
C5N1sing1.35Å1.37Å
N1C6sing1.35Å1.31Å
C6O2doub1.22Å1.23Å
C6C3sing1.47Å1.46Å
C3C2doub1.40Å1.43ÅAromatic
C2C7sing1.48Å1.42ÅAromatic
C7C12doub1.39Å1.43ÅAromatic
C7C8sing1.40Å1.46ÅAromatic
C12C11sing1.38Å1.41ÅAromatic
C11C10doub1.38Å1.42ÅAromatic
C10C9sing1.38Å1.42ÅAromatic
C9C8doub1.38Å1.44ÅAromatic
C8CL1sing1.74Å1.73Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
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)
C26N3C25106.2°111.0°
C26N3C24112.4°111.0°
N3C26H26109.5°109.5°
N3C26H26A109.5°109.5°
N3C26H26B109.4°109.5°
C25N3C24117.6°111.0°
N3C25H25109.5°109.4°
N3C25H25A109.5°109.5°
N3C25H25B109.4°109.5°
N3C24C23113.7°109.5°
N3C24H24108.1°109.5°
N3C24H24A107.1°109.5°
C24C23C22115.4°109.4°
C23C24H24108.1°109.4°
C23C24H24A107.1°109.5°
C24C23H23107.5°109.4°
C24C23H23A106.1°109.5°
C23C22O4107.6°109.4°
C22C23H23107.5°109.5°
C22C23H23A106.2°109.5°
C23C22H22110.1°109.5°
C23C22H22A110.5°109.5°
C22O4C20119.1°117.0°
O4C22H22110.1°109.5°
O4C22H22A110.5°109.5°
O4C20C18122.8°119.7°
O4C20C19115.4°119.8°
C18C20C19121.8°120.4°
C20C18C16119.0°120.1°
C20C18H18120.5°120.0°
C20C19O3119.4°119.9°
C20C19C17118.3°120.1°
C18C16C15119.8°119.4°
C18C16N2132.6°132.1°
C16C18H18120.5°120.0°
O3C19C17122.1°120.0°
C19O3HO3109.5°114.1°
C19C17C15120.3°119.8°
C19C17H17119.8°120.1°
C17C15C16120.5°120.2°
C17C15C13133.2°133.3°
C15C17H17119.9°120.1°
C16C15C13106.2°106.5°
C15C16N2107.6°108.4°
C15C13C14106.5°106.4°
C15C13C4134.1°133.5°
C16N2C21127.7°124.9°
C16N2C14110.4°110.3°
C21N2C14121.8°124.8°
N2C21H21109.5°109.5°
N2C21H21A109.5°109.5°
N2C21H21B109.5°109.4°
N2C14C1128.3°132.0°
N2C14C13109.2°108.2°
C1C14C13122.3°119.8°
C14C1C2118.5°120.5°
C14C1H1120.8°119.7°
C14C13C4119.4°120.0°
C1C2C3120.4°120.1°
C1C2C7117.4°120.0°
C2C1H1120.8°119.7°
C13C4C5136.9°134.4°
C13C4C3118.4°119.7°
C5C4C3104.7°105.9°
C4C5O1125.4°125.7°
C4C5N1113.0°108.5°
C4C3C6104.4°106.0°
C4C3C2120.9°119.9°
O1C5N1121.4°125.7°
C5N1C6105.8°111.0°
C5N1HN1127.1°124.5°
N1C6O2121.9°125.7°
N1C6C3112.1°108.6°
C6N1HN1127.1°124.5°
O2C6C3126.0°125.7°
C6C3C2134.7°134.2°
C3C2C7122.2°120.0°
C2C7C12120.1°120.2°
C2C7C8120.4°120.1°
C12C7C8119.4°119.7°
C7C12C11117.7°119.9°
C7C12H12121.1°120.1°
C7C8C9121.1°119.9°
C7C8CL1126.6°120.1°
C12C11C10123.0°120.2°
C11C12H12121.1°120.0°
C12C11H11118.5°119.9°
C11C10C9120.3°120.3°
C10C11H11118.5°119.9°
C11C10H10119.8°119.8°
C10C9C8118.0°120.1°
C9C10H10119.8°119.9°
C10C9H9121.0°120.0°
C9C8CL1112.2°120.0°
C8C9H9121.0°119.9°
H26C26H26A109.5°109.5°
H26C26H26B109.5°109.5°
H26AC26H26B109.5°109.5°
H25C25H25A109.5°109.5°
H25C25H25B109.5°109.5°
H25AC25H25B109.5°109.5°
H24C24H24A112.8°109.5°
H23C23H23A114.2°109.5°
H22C22H22A108.0°109.5°
H21C21H21A109.4°109.5°
H21C21H21B109.4°109.4°
H21AC21H21B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C26N3C25C24126.8°124.0°
C26N3C24C23165.9°170.0°
N3C26H26H26A120.0°120.0°
N3C26H26H26B120.0°120.0°
N3C26H26AH26B120.0°120.0°
C26N3C25H25167.0°60.0°
C26N3C25H25A73.0°180.0°
C26N3C25H25B47.0°60.0°
C26N3C24H2474.0°70.0°
C26N3C24H24A47.8°50.0°
C25N3C24C2342.2°66.0°
C25N3C26H266.4°56.0°
C25N3C26H26A126.4°176.0°
C25N3C26H26B113.6°64.0°
N3C25H25H25A120.0°119.9°
N3C25H25H25B120.0°120.0°
N3C25H25AH25B120.0°120.1°
C25N3C24H24162.2°53.9°
C25N3C24H24A75.9°174.0°
N3C24C23H24120.0°119.9°
N3C24C23H24A118.1°120.0°
N3C24C23C22109.7°180.0°
C24N3C26H26123.5°180.0°
C24N3C26H26A3.5°60.0°
C24N3C26H26B116.5°60.0°
C24N3C25H2566.2°63.9°
C24N3C25H25A53.8°56.0°
C24N3C25H25B173.8°176.1°
N3C24H24H24A118.3°120.0°
N3C24C23H23130.2°60.1°
N3C24C23H23A7.6°60.0°
C24C23C22H23120.0°119.9°
C24C23C22H23A117.3°120.0°
C24C23C22O432.8°180.0°
C23C24H24H24A118.2°120.0°
C24C23H23H23A117.5°120.0°
C24C23C22H22152.8°60.1°
C24C23C22H22A87.9°60.0°
C23C22O4H22120.0°120.0°
C23C22O4H22A120.7°120.0°
C23C22O4C20175.1°180.0°
C22C23C24H2410.3°60.0°
C22C23C24H24A132.1°60.0°
C22C23H23H23A117.6°120.0°
C23C22H22H22A120.7°120.0°
C22O4C20C183.2°0.0°
C22O4C20C19175.7°179.7°
O4C22C23H2387.2°60.0°
O4C22C23H23A150.1°60.0°
O4C22H22H22A120.8°120.0°
O4C20C18C19178.8°179.7°
O4C20C18C16178.4°180.0°
O4C20C19O33.6°0.0°
O4C20C19C17178.5°180.0°
C20O4C22H2264.9°60.0°
C20O4C22H22A54.4°60.0°
O4C20C18H181.6°0.0°
C20C18C16H18180.0°180.0°
C18C20C19O3177.5°179.8°
C18C20C19C172.6°0.3°
C20C18C16C150.5°0.1°
C20C18C16N2179.5°179.9°
C19C20C18C160.4°0.3°
C20C19O3C17174.7°180.0°
C20C19C17C155.6°0.0°
C19C20C18H18179.6°179.7°
C20C19O3HO34.0°90.0°
C20C19C17H17174.4°180.0°
C18C16C15C172.5°0.2°
C18C16C15N2180.0°180.0°
C18C16C15C13178.9°180.0°
C18C16N2C210.1°0.1°
C18C16N2C14178.5°180.0°
O3C19C17C15179.6°180.0°
O3C19C17H170.4°0.0°
C19C17C15H17180.0°180.0°
C19C17C15C165.6°0.2°
C19C17C15C13176.3°180.0°
C17C19O3HO3178.7°90.0°
C17C15C16C13178.6°179.8°
C17C15C16N2177.5°179.8°
C17C15C13C14178.0°179.8°
C17C15C13C40.1°0.0°
C15C16N2C21180.0°180.0°
C15C16N2C141.6°0.0°
C16C15C13C140.3°0.0°
C16C15C13C4178.2°179.8°
C15C16C18H18179.5°180.0°
C16C15C17H17174.4°179.8°
C13C15C16N21.1°0.0°
C15C13C14N20.6°0.1°
C15C13C14C1175.8°180.0°
C15C13C14C4178.3°179.8°
C15C13C4C51.9°0.1°
C15C13C4C3177.1°180.0°
C13C15C17H173.8°0.0°
C16N2C21C14178.2°179.9°
C16N2C14C1176.2°180.0°
C16N2C14C131.4°0.0°
N2C16C18H180.5°0.0°
C16N2C21H21171.7°89.9°
C16N2C21H21A51.7°150.0°
C16N2C21H21B68.3°30.0°
C21N2C14C15.3°0.1°
C21N2C14C13179.9°180.0°
N2C21H21H21A120.0°120.0°
N2C21H21H21B120.0°119.9°
N2C21H21AH21B120.0°120.0°
N2C14C1C13174.2°180.0°
N2C14C1C2178.7°179.9°
N2C14C13C4177.7°179.8°
C14N2C21H216.5°90.0°
C14N2C21H21A126.5°30.0°
C14N2C21H21B113.5°150.1°
N2C14C1H11.3°0.0°
C14C1C2H1180.0°179.9°
C1C14C13C42.5°0.2°
C14C1C2C34.7°0.1°
C14C1C2C7175.1°180.0°
C13C14C1C24.5°0.0°
C14C13C4C5179.6°179.7°
C14C13C4C30.6°0.2°
C13C14C1H1175.5°179.9°
C1C2C3C42.9°0.1°
C1C2C3C6176.9°179.7°
C1C2C3C7179.8°179.8°
C1C2C7C1259.4°65.0°
C1C2C7C8117.6°115.3°
C13C4C5C3179.1°179.9°
C13C4C5O15.2°0.1°
C13C4C5N1179.8°180.0°
C13C4C3C6179.0°180.0°
C13C4C3C20.8°0.1°
C4C5O1N1174.2°179.9°
C4C5N1C62.0°0.1°
C5C4C3C60.3°0.0°
C5C4C3C2179.9°179.8°
C4C5N1HN1178.0°180.0°
C3C4C5O1175.7°180.0°
C3C4C5N11.0°0.0°
C4C3C6N11.6°0.0°
C4C3C6O2179.4°179.9°
C4C3C6C2179.8°179.8°
C4C3C2C7176.9°179.9°
O1C5N1C6176.9°180.0°
O1C5N1HN13.1°0.1°
C5N1C6HN1180.0°179.9°
C5N1C6O2178.8°180.0°
C5N1C6C32.2°0.1°
N1C6O2C3178.9°179.9°
N1C6C3C2178.6°179.8°
O2C6C3C20.4°0.3°
O2C6N1HN11.2°0.1°
C6C3C2C73.3°0.1°
C3C6N1HN1177.8°179.9°
C3C2C7C12120.8°114.9°
C3C2C7C862.2°64.9°
C3C2C1H1175.3°180.0°
C2C7C12C8177.0°179.7°
C2C7C12C11179.1°180.0°
C2C7C8C9176.7°179.7°
C2C7C8CL11.2°0.0°
C7C2C1H14.9°0.1°
C2C7C12H120.8°0.0°
C7C12C11H12180.0°180.0°
C7C12C11C103.2°0.0°
C12C7C8C96.2°0.5°
C12C7C8CL1178.2°179.7°
C7C12C11H11176.8°180.0°
C8C7C12C112.1°0.3°
C7C8C9C105.0°0.5°
C7C8C9CL1176.1°179.7°
C8C7C12H12177.9°179.7°
C7C8C9H9175.0°179.7°
C12C11C10H11180.0°180.0°
C12C11C10C94.5°0.0°
C12C11C10H10175.5°180.0°
C11C10C9H10180.0°180.0°
C11C10C9C80.3°0.3°
C10C11C12H12176.8°180.0°
C11C10C9H9179.7°180.0°
C10C9C8H9180.0°179.7°
C10C9C8CL1178.9°179.7°
C9C10C11H11175.5°180.0°
C8C9C10H10179.7°179.7°
CL1C8C9H91.1°0.0°
H26C26H26AH26B120.0°120.0°
H25C25H25AH25B120.0°120.0°
H24C24C23H23109.7°180.0°
H24C24C23H23A127.6°60.0°
H24AC24C23H2312.1°60.0°
H24AC24C23H23A110.6°180.0°
H23C23C22H2232.8°180.0°
H23C23C22H22A152.0°59.9°
H23AC23C22H2289.9°60.0°
H23AC23C22H22A29.4°180.0°
H21C21H21AH21B119.9°120.0°
H12C12C11H113.2°0.0°
H11C11C10H104.5°0.0°
H10C10C9H90.3°0.0°

223532

PDB entries from 2024-08-07

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