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A1AE8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2C4doub1.31Å1.32ÅAromatic
N2N1sing1.39Å1.36ÅAromatic
C4C5sing1.41Å1.41ÅAromatic
C3N1sing1.46Å1.45Å
C3C2sing1.53Å1.53Å
N1C14sing1.37Å1.37ÅAromatic
C5C14doub1.38Å1.40ÅAromatic
C5C6sing1.48Å1.47Å
O1C6doub1.21Å1.23Å
C14C15sing1.48Å1.42Å
C6N3sing1.35Å1.35Å
C1C2sing1.53Å1.52Å
C2N5sing1.46Å1.48Å
C15N5sing1.35Å1.37Å
C15O2doub1.22Å1.22Å
N5C16sing1.40Å1.44Å
N3C7sing1.40Å1.41Å
C13C7doub1.39Å1.39ÅAromatic
C13C11sing1.39Å1.39ÅAromatic
N4C12trip1.14Å1.15Å
C12C11sing1.43Å1.44Å
C7C8sing1.39Å1.39ÅAromatic
C16C21doub1.39Å1.39ÅAromatic
C16C17sing1.39Å1.39ÅAromatic
C11C10doub1.40Å1.39ÅAromatic
C21C20sing1.38Å1.38ÅAromatic
C17C18doub1.38Å1.38ÅAromatic
C8C9doub1.38Å1.39ÅAromatic
C20C19doub1.38Å1.39ÅAromatic
C10C9sing1.38Å1.38ÅAromatic
C18C19sing1.38Å1.39ÅAromatic
C19C22sing1.51Å1.52Å
F1C22sing1.40Å1.37Å
C22F2sing1.40Å1.37Å
C22C23sing1.51Å1.51Å
C23C28doub1.38Å1.39ÅAromatic
C23C24sing1.38Å1.39ÅAromatic
C28C27sing1.38Å1.39ÅAromatic
C24C25doub1.38Å1.39ÅAromatic
C27C26doub1.38Å1.37ÅAromatic
C25C26sing1.38Å1.38ÅAromatic
N3H1sing0.97Å1.00Å
C4H2sing1.08Å1.08Å
C8H3sing1.08Å1.08Å
C10H4sing1.08Å1.08Å
C13H5sing1.08Å1.08Å
C17H6sing1.08Å1.08Å
C20H7sing1.08Å1.08Å
C21H8sing1.08Å1.08Å
C24H9sing1.08Å1.08Å
C26H10sing1.08Å1.08Å
C28H11sing1.08Å1.08Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C2H15sing1.09Å1.10Å
C3H16sing1.09Å1.10Å
C3H17sing1.09Å1.10Å
C9H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C25H20sing1.08Å1.08Å
C27H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4N2N1104.9°109.0°
N2C4C5111.9°108.6°
N2C4H2124.0°125.6°
N2N1C3121.0°130.3°
N2N1C14113.1°108.0°
C4C5C14105.4°106.9°
C4C5C6122.2°126.6°
C5C4H2124.1°125.7°
N1C3C2107.4°109.3°
C3N1C14126.0°121.8°
N1C3H16110.0°109.5°
N1C3H17110.0°109.5°
C3C2C1107.9°108.9°
C3C2N5112.0°112.6°
C3C2H15108.0°108.7°
C2C3H16110.0°109.5°
C2C3H17110.0°109.5°
N1C14C5104.7°107.5°
N1C14C15118.8°121.1°
C14C5C6132.4°126.5°
C5C14C15136.6°131.4°
C5C6O1118.8°120.0°
C5C6N3117.7°120.0°
O1C6N3123.4°120.0°
C14C15N5115.6°116.3°
C14C15O2122.8°121.8°
C6N3C7129.0°120.0°
C6N3H1115.5°120.0°
C1C2N5112.0°108.9°
C2C1H12109.5°109.5°
C2C1H13109.5°109.4°
C2C1H14109.5°109.5°
C1C2H15108.1°108.8°
C2N5C15124.2°121.7°
C2N5C16117.1°119.2°
N5C2H15108.6°108.9°
N5C15O2121.5°121.9°
C15N5C16118.8°119.2°
N5C16C21120.8°120.1°
N5C16C17120.6°120.0°
N3C7C13123.4°120.0°
N3C7C8117.5°120.0°
C7N3H1115.5°120.0°
C7C13C11120.0°119.8°
C13C7C8119.0°119.9°
C7C13H5120.0°120.1°
C13C11C12119.1°120.1°
C13C11C10120.9°119.8°
C11C13H5120.0°120.1°
N4C12C11180.0°180.0°
C12C11C10119.9°120.1°
C7C8C9120.2°120.2°
C7C8H3119.9°119.9°
C21C16C17118.6°119.9°
C16C21C20120.6°119.9°
C16C21H8119.7°120.0°
C16C17C18120.7°119.9°
C16C17H6119.6°120.1°
C11C10C9118.8°120.0°
C11C10H4120.6°120.0°
C21C20C19120.9°120.1°
C21C20H7119.5°120.0°
C20C21H8119.7°120.1°
C17C18C19120.9°120.1°
C18C17H6119.7°120.0°
C17C18H19119.6°120.0°
C8C9C10121.1°120.2°
C9C8H3119.9°119.9°
C8C9H18119.5°119.9°
C20C19C18118.4°120.1°
C20C19C22120.5°119.9°
C19C20H7119.5°119.9°
C9C10H4120.6°120.0°
C10C9H18119.5°119.9°
C18C19C22121.1°119.9°
C19C18H19119.6°119.9°
C19C22F1109.5°109.5°
C19C22F2109.5°109.4°
C19C22C23113.9°109.5°
F1C22F2104.3°109.4°
F1C22C23109.6°109.5°
F2C22C23109.5°109.5°
C22C23C28120.9°120.0°
C22C23C24120.7°120.0°
C28C23C24118.4°120.0°
C23C28C27120.8°120.0°
C23C28H11119.6°120.0°
C23C24C25120.7°120.0°
C23C24H9119.6°120.0°
C28C27C26120.1°120.0°
C27C28H11119.6°120.0°
C28C27H21120.0°120.0°
C24C25C26120.1°120.0°
C25C24H9119.6°120.0°
C24C25H20119.9°120.0°
C27C26C25119.9°120.0°
C27C26H10120.1°120.0°
C26C27H21120.0°120.0°
C25C26H10120.1°120.0°
C26C25H20119.9°120.0°
H12C1H13109.5°109.5°
H12C1H14109.5°109.5°
H13C1H14109.4°109.4°
H16C3H17109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C4C5H2180.0°179.9°
C4N2N1C3179.5°178.7°
C4N2N1C140.2°0.6°
N2C4C5C140.5°0.2°
N2C4C5C6179.8°179.8°
N1N2C4C50.2°0.3°
N2N1C3C14179.7°179.2°
N2N1C3C2148.2°151.0°
N2N1C14C50.5°0.7°
N2N1C14C15179.7°178.7°
N1N2C4H2179.8°179.6°
N2N1C3H1692.1°89.1°
N2N1C3H1728.5°31.0°
C4C5C14N10.6°0.5°
C4C5C14C6179.7°180.0°
C4C5C6O11.0°180.0°
C4C5C14C15179.5°178.8°
C4C5C6N3179.2°0.0°
N1C3C2H16119.7°119.9°
N1C3C2H17119.7°120.0°
C3N1C14C5179.2°178.7°
C3N1C14C150.0°1.9°
N1C3C2C1166.3°167.5°
N1C3C2N542.5°46.7°
N1C3C2H1577.1°74.1°
N1C3H16H17121.0°120.1°
C2C3N1C1432.1°29.8°
C3C2C1N5123.8°123.1°
C3C2C1H15116.6°118.4°
C3C2N5H15119.2°120.7°
C3C2N5C1527.9°40.1°
C3C2N5C16152.7°139.9°
C3C2C1H12180.0°68.6°
C3C2C1H1360.0°51.4°
C3C2C1H1460.0°171.4°
C2C3H16H17121.0°120.1°
N1C14C5C15178.9°179.3°
N1C14C5C6179.8°179.4°
N1C14C15N520.5°9.5°
N1C14C15O2163.2°170.5°
C14N1C3H1687.6°90.1°
C14N1C3H17151.8°149.8°
C14C5C6O1179.4°0.0°
C14C5C6N31.1°180.0°
C5C14C15N5160.7°169.7°
C5C14C15O215.7°10.3°
C14C5C4H2179.5°179.9°
C5C6O1N3178.1°180.0°
C6C5C14C150.8°1.3°
C5C6N3C7171.8°175.2°
C5C6N3H18.3°4.8°
C6C5C4H20.2°0.1°
O1C6N3C76.4°4.8°
O1C6N3H1173.6°175.2°
C14C15N5C25.3°11.0°
C14C15N5O2176.4°179.9°
C14C15N5C16174.1°169.0°
C6N3C7H1180.0°180.0°
C6N3C7C130.7°34.5°
C6N3C7C8179.7°145.7°
C1C2N5H15119.3°118.5°
C1C2N5C15149.4°160.9°
C1C2N5C1631.2°19.0°
C2C1H12H13120.0°120.0°
C2C1H12H14120.0°120.0°
C2C1H13H14120.0°120.0°
C1C2C3H1646.6°47.6°
C1C2C3H1774.1°72.5°
C2N5C15C16179.4°180.0°
C2N5C15O2178.4°169.0°
C2N5C16C21117.2°110.8°
C2N5C16C1761.2°69.3°
N5C2C1H1256.2°54.5°
N5C2C1H1363.8°174.5°
N5C2C1H14176.2°65.5°
N5C2C3H1677.2°73.3°
N5C2C3H17162.1°166.6°
C15N5C16C2163.4°69.2°
C15N5C16C17118.3°110.7°
C15N5C2H1591.4°80.6°
O2C15N5C162.2°11.1°
N5C16C21C17178.4°179.9°
N5C16C21C20179.2°179.5°
N5C16C17C18179.2°180.0°
N5C16C17H60.8°0.4°
N5C16C21H80.8°0.2°
C16N5C2H1588.1°99.4°
N3C7C13C8179.5°179.8°
N3C7C13C11179.1°180.0°
N3C7C8C9179.8°180.0°
N3C7C8H30.2°0.0°
N3C7C13H50.9°0.1°
C7C13C11H5180.0°179.9°
C7C13C11C12177.3°180.0°
C7C13C11C101.4°0.1°
C13C7C8C90.2°0.2°
C13C7N3H1179.3°145.5°
C13C7C8H3179.8°179.7°
C13C11C12N487.4°26.2°
C13C11C12C10176.0°180.0°
C11C13C7C80.5°0.2°
C13C11C10C91.6°0.4°
C13C11C10H4178.4°180.0°
N4C12C11C1096.7°153.7°
C12C11C10C9177.5°179.7°
C12C11C10H42.5°0.0°
C12C11C13H52.7°0.0°
C7C8C9H3180.0°179.9°
C7C8C9C100.0°0.1°
C8C7N3H10.3°34.3°
C8C7C13H5179.5°179.7°
C7C8C9H18180.0°180.0°
C16C21C20H8180.0°179.2°
C21C16C17C180.8°0.1°
C16C21C20C190.3°0.7°
C21C16C17H6179.2°179.7°
C16C21C20H7179.7°179.7°
C17C16C21C200.9°0.4°
C16C17C18H6180.0°179.6°
C16C17C18C190.2°0.4°
C17C16C21H8179.1°179.7°
C16C17C18H19179.8°179.7°
C11C10C9C80.9°0.4°
C11C10C9H4180.0°179.7°
C10C11C13H5178.6°180.0°
C11C10C9H18179.1°179.7°
C21C20C19H7180.0°179.6°
C21C20C19C180.3°0.4°
C21C20C19C22179.6°180.0°
C17C18C19C200.4°0.1°
C17C18C19H19180.0°180.0°
C17C18C19C22179.7°179.4°
C8C9C10H18180.0°179.9°
C8C9C10H4179.1°180.0°
C20C19C18C22179.3°179.5°
C20C19C22F197.9°30.0°
C20C19C22F215.9°150.0°
C20C19C22C23139.0°90.0°
C19C20C21H8179.7°180.0°
C20C19C18H19179.6°180.0°
C10C9C8H3180.0°180.0°
C18C19C22F181.4°150.5°
C18C19C22F2164.8°30.5°
C18C19C22C2341.7°89.5°
C19C18C17H6179.8°179.9°
C18C19C20H7179.6°180.0°
C19C22F1F2117.1°119.9°
C19C22F1C23125.7°120.0°
C19C22F2C23125.6°120.0°
C19C22C23C2887.0°90.0°
C19C22C23C2493.9°90.1°
C22C19C20H70.3°0.5°
C22C19C18H190.3°0.5°
F1C22F2C23117.3°120.1°
F1C22C23C2836.1°150.0°
F1C22C23C24143.0°30.0°
F2C22C23C28149.9°30.0°
F2C22C23C2429.1°150.0°
C22C23C28C24179.1°180.0°
C22C23C28C27179.8°179.4°
C22C23C24C25179.6°180.0°
C22C23C24H90.4°0.3°
C22C23C28H110.2°0.2°
C23C28C27H11180.0°179.2°
C28C23C24C250.5°0.0°
C23C28C27C260.5°0.8°
C28C23C24H9179.5°179.8°
C23C28C27H21179.5°179.2°
C24C23C28C270.7°0.5°
C23C24C25H9180.0°179.8°
C23C24C25C260.2°0.3°
C24C23C28H11179.3°179.7°
C23C24C25H20179.8°179.7°
C28C27C26H21180.0°180.0°
C28C27C26C250.1°0.6°
C28C27C26H10179.9°179.5°
C24C25C26C270.0°0.0°
C24C25C26H20180.0°180.0°
C24C25C26H10179.9°180.0°
C27C26C25H10180.0°180.0°
C26C27C28H11179.5°180.0°
C27C26C25H20180.0°180.0°
C26C25C24H9179.8°180.0°
C25C26C27H21179.9°179.4°
H3C8C9H180.0°0.1°
H4C10C9H180.9°0.1°
H6C17C18H190.2°0.1°
H7C20C21H80.3°0.5°
H9C24C25H200.2°0.1°
H10C26C25H200.0°0.0°
H10C26C27H210.1°0.6°
H11C28C27H210.5°0.0°
H12C1H13H14120.0°120.0°
H12C1C2H1563.4°173.0°
H13C1C2H15176.6°66.9°
H14C1C2H1556.6°53.0°
H15C2C3H16163.2°166.0°
H15C2C3H1742.6°45.9°

247536

PDB entries from 2026-01-14

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