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5I9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F2C26sing1.35Å1.36Å
C26C27doub1.38Å1.37ÅAromatic
C26C25sing1.38Å1.36ÅAromatic
C27C28sing1.38Å1.39ÅAromatic
C25C24doub1.38Å1.38ÅAromatic
C28C23doub1.39Å1.39ÅAromatic
C24C23sing1.39Å1.39ÅAromatic
C23N4sing1.40Å1.42Å
N4C21sing1.35Å1.34Å
O4C21doub1.21Å1.22Å
C21C19sing1.51Å1.51Å
C14C13doub1.38Å1.38ÅAromatic
C14C15sing1.39Å1.39ÅAromatic
C19C20sing1.53Å1.53Å
C19C22sing1.53Å1.53Å
C19C18sing1.51Å1.50Å
N3C15sing1.40Å1.42Å
N3C18sing1.35Å1.34Å
C20C22sing1.53Å1.48Å
C13C12sing1.39Å1.38ÅAromatic
C15C16doub1.39Å1.39ÅAromatic
C18O3doub1.21Å1.22Å
C12O2sing1.36Å1.39Å
C12C17doub1.39Å1.38ÅAromatic
C7N2doub1.32Å1.47ÅAromatic
C7N1sing1.40Å1.44Å
C7C8sing1.39Å1.51ÅAromatic
C9C10doub1.38Å1.42ÅAromatic
C9N2sing1.32Å1.31ÅAromatic
C10C11sing1.39Å1.36ÅAromatic
C3C2doub1.38Å1.38ÅAromatic
C3C4sing1.38Å1.37ÅAromatic
C2C1sing1.38Å1.38ÅAromatic
C4C5doub1.38Å1.40ÅAromatic
C1C6doub1.38Å1.39ÅAromatic
C5C6sing1.39Å1.40ÅAromatic
C5N1sing1.40Å1.38Å
C6O1sing1.36Å1.38Å
C16C17sing1.38Å1.37ÅAromatic
C11O2sing1.36Å1.40Å
C11C8doub1.39Å1.50ÅAromatic
O1C8sing1.36Å1.45Å
C17F1sing1.35Å1.35Å
N1H1sing0.97Å1.00Å
N3H2sing0.97Å1.00Å
C4H3sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C13H7sing1.08Å1.08Å
C20H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
C22H10sing1.09Å1.10Å
C22H11sing1.09Å1.10Å
C24H12sing1.08Å1.08Å
C28H13sing1.08Å1.08Å
C1H14sing1.08Å1.08Å
C14H16sing1.08Å1.08Å
C16H17sing1.08Å1.08Å
C2H18sing1.08Å1.08Å
C25H19sing1.08Å1.08Å
C27H20sing1.08Å1.08Å
C3H21sing1.08Å1.08Å
C9H22sing1.08Å1.08Å
N4H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F2C26C27118.7°120.0°
F2C26C25118.4°119.9°
C27C26C25122.9°120.1°
C26C27C28118.6°120.0°
C26C27H20120.7°120.0°
C26C25C24118.3°120.1°
C26C25H19120.8°120.0°
C27C28C23120.1°120.0°
C27C28H13120.0°120.0°
C28C27H20120.7°120.0°
C25C24C23120.6°119.9°
C25C24H12119.7°120.1°
C24C25H19120.9°120.0°
C28C23C24119.4°119.9°
C28C23N4120.8°120.1°
C23C28H13119.9°120.0°
C24C23N4119.6°120.0°
C23C24H12119.7°120.0°
C23N4C21123.3°120.0°
C23N4H24118.3°120.0°
N4C21O4122.3°120.0°
N4C21C19117.0°120.0°
C21N4H24118.4°120.0°
O4C21C19120.7°120.0°
C21C19C20117.6°117.5°
C21C19C22118.9°117.5°
C21C19C18118.0°115.6°
C13C14C15120.4°120.0°
C14C13C12120.0°120.0°
C14C13H7120.0°120.0°
C13C14H16119.8°120.0°
C14C15N3117.5°120.0°
C14C15C16119.5°120.0°
C15C14H16119.8°120.0°
C20C19C2258.0°60.0°
C20C19C18114.1°117.5°
C19C20C2261.0°60.0°
C19C20H8119.8°117.5°
C19C20H9119.8°117.5°
C22C19C18116.3°117.5°
C19C22C2061.0°60.0°
C19C22H10119.8°117.5°
C19C22H11119.8°117.5°
C19C18N3114.9°120.0°
C19C18O3120.9°120.0°
C15N3C18127.3°120.0°
N3C15C16123.0°120.0°
C15N3H2116.3°120.0°
N3C18O3124.2°120.0°
C18N3H2116.4°120.0°
C22C20H8119.8°117.5°
C22C20H9119.9°117.5°
C20C22H10119.8°117.5°
C20C22H11119.8°117.5°
C13C12O2120.2°120.0°
C13C12C17119.0°120.0°
C12C13H7120.0°120.0°
C15C16C17119.1°119.9°
C15C16H17120.5°120.0°
O2C12C17120.7°120.0°
C12O2C11117.4°118.0°
C12C17C16122.0°120.0°
C12C17F1118.7°120.1°
N2C7N1115.0°120.4°
N2C7C8112.0°120.7°
C7N2C9116.8°121.7°
N1C7C8108.8°118.9°
C7N1C5114.8°117.9°
C7N1H1122.6°121.0°
C7C8C11107.7°118.9°
C7C8O1109.7°120.8°
C10C9N2122.5°121.0°
C9C10C11119.0°119.3°
C9C10H6120.5°120.4°
C10C9H22118.7°119.5°
N2C9H22118.8°119.5°
C10C11O2123.7°120.8°
C10C11C8120.9°118.3°
C11C10H6120.5°120.3°
C2C3C4120.8°120.1°
C3C2C1120.6°120.3°
C3C2H18119.7°119.8°
C2C3H21119.6°120.0°
C3C4C5119.8°119.8°
C3C4H3120.1°120.1°
C4C3H21119.6°120.0°
C2C1C6119.1°120.0°
C2C1H14120.4°120.0°
C1C2H18119.7°119.9°
C4C5C6119.0°120.2°
C4C5N1121.1°120.6°
C5C4H3120.1°120.1°
C1C6C5120.7°119.6°
C1C6O1117.0°120.1°
C6C1H14120.5°120.0°
C6C5N1119.9°119.3°
C5C6O1122.3°120.3°
C5N1H1122.6°121.0°
C6O1C8115.4°119.4°
C16C17F1119.3°120.0°
C17C16H17120.4°120.0°
O2C11C8115.3°120.8°
C11C8O1110.0°120.3°
H8C20H9109.5°115.6°
H10C22H11109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F2C26C27C25179.6°179.7°
F2C26C27C28179.7°180.0°
F2C26C25C24179.4°179.7°
F2C26C25H190.6°0.3°
F2C26C27H200.3°0.3°
C26C27C28H20180.0°179.7°
C27C26C25C240.2°0.0°
C26C27C28C231.1°0.6°
C26C27C28H13178.9°180.0°
C27C26C25H19179.8°180.0°
C25C26C27C280.1°0.3°
C26C25C24H19180.0°180.0°
C26C25C24C231.7°0.1°
C26C25C24H12178.3°179.7°
C25C26C27H20179.9°180.0°
C27C28C23H13180.0°179.4°
C27C28C23C242.6°0.6°
C27C28C23N4177.6°179.5°
C25C24C23C282.9°0.4°
C25C24C23H12180.0°179.6°
C25C24C23N4178.0°179.7°
C28C23C24N4175.1°179.9°
C28C23N4C21129.0°45.0°
C28C23C24H12177.1°180.0°
C23C28C27H20178.9°179.7°
C28C23N4H2451.0°135.0°
C24C23N4C2146.0°134.9°
C24C23C28H13177.4°179.9°
C23C24C25H19178.3°179.9°
C24C23N4H24134.0°45.1°
C23N4C21H24180.0°180.0°
C23N4C21O40.2°8.6°
C23N4C21C19177.8°171.5°
N4C23C24H122.0°0.1°
N4C23C28H132.4°0.0°
N4C21O4C19177.9°179.9°
N4C21C19C2033.1°155.4°
N4C21C19C2233.6°86.8°
N4C21C19C18176.3°59.0°
O4C21C19C20144.9°24.7°
O4C21C19C22148.3°93.3°
O4C21C19C181.8°120.9°
O4C21N4H24179.8°171.4°
C21C19C20C22108.4°107.5°
C21C19C20C18144.6°145.0°
C21C19C22C18150.6°145.1°
C21C19C18N33.5°49.7°
C21C19C18O3177.5°130.4°
C21C19C20H8141.9°0.0°
C21C19C20H91.4°145.0°
C21C19C22H103.5°145.0°
C21C19C22H11144.0°0.0°
C19C21N4H242.2°8.5°
C13C14C15H16180.0°179.9°
C13C14C15N3179.7°180.0°
C14C13C12H7180.0°179.8°
C13C14C15C161.0°0.1°
C14C13C12O2178.4°179.8°
C14C13C12C170.9°0.2°
C14C15N3C16178.6°179.9°
C14C15N3C18171.5°26.6°
C15C14C13C120.1°0.1°
C14C15C16C170.8°0.2°
C14C15N3H28.5°153.5°
C15C14C13H7179.9°179.7°
C14C15C16H17179.2°179.9°
C20C19C22C18103.1°107.4°
C20C19C18N3141.0°164.7°
C19C20C22H8109.7°107.5°
C19C20C22H9109.7°107.5°
C20C19C18O338.1°15.2°
C19C20H8H9144.2°145.7°
C20C19C22H10109.8°107.5°
C20C19C22H11109.8°107.5°
C22C19C18N3154.3°96.1°
C22C19C18O326.6°83.8°
C19C22H10H11144.1°145.7°
C19C18N3C15176.5°176.7°
C19C18N3O3179.0°179.9°
C19C18N3H23.5°3.2°
C18C19C20H82.7°145.0°
C18C19C20H9143.2°0.1°
C18C19C22H10147.1°0.1°
C18C19C22H116.6°145.1°
C15N3C18H2180.0°179.9°
C15N3C18O34.4°3.2°
N3C15C16C17179.4°179.7°
N3C15C14H160.3°0.1°
N3C15C16H170.6°0.0°
C18N3C15C169.8°153.5°
C22C20H8H9144.3°145.7°
C20C22H10H11144.2°145.7°
C13C12O2C17177.4°180.0°
C13C12C17C161.1°0.6°
C13C12O2C1174.2°112.9°
C13C12C17F1179.0°180.0°
C12C13C14H16179.9°180.0°
C15C16C17C120.2°0.6°
C15C16C17H17180.0°179.7°
C15C16C17F1179.9°180.0°
C16C15N3H2170.2°26.5°
C16C15C14H16179.0°180.0°
O3C18N3H2175.6°176.8°
C12O2C11C109.1°4.5°
O2C12C17C16178.6°179.4°
C12O2C11C8172.3°175.5°
O2C12C17F11.6°0.0°
O2C12C13H71.6°0.0°
C12C17C16F1179.8°179.5°
C17C12O2C11103.2°67.1°
C17C12C13H7179.1°180.0°
C12C17C16H17179.8°179.7°
N2C7N1C8126.6°179.9°
C7N2C9C1015.7°0.0°
N2C7N1C5177.2°165.7°
N2C7C8C1151.0°0.2°
N2C7C8O1170.7°179.8°
N2C7N1H12.8°14.1°
C7N2C9H22164.3°180.0°
N1C7N2C9171.0°179.8°
C7N1C5C4159.5°165.5°
C7N1C5C621.0°14.2°
C7N1C5H1180.0°179.7°
N1C7C8C11179.3°179.7°
N1C7C8O161.0°0.3°
C8C7N2C946.0°0.1°
C7C8C11C1031.3°0.1°
C8C7N1C550.6°14.2°
C7C8O1C641.8°15.3°
C7C8C11O2150.1°179.9°
C7C8C11O1119.5°179.9°
C8C7N1H1129.4°166.0°
C10C9N2H22180.0°179.9°
C9C10C11H6180.0°180.0°
C9C10C11O2178.7°180.0°
C9C10C11C82.8°0.0°
N2C9C10C116.9°0.1°
N2C9C10H6173.1°180.0°
C10C11O2C8178.6°180.0°
C10C11C8O1150.8°179.8°
C11C10C9H22173.2°179.9°
C2C3C4H21180.0°180.0°
C3C2C1H18180.0°179.9°
C2C3C4C50.7°0.0°
C3C2C1C60.5°0.0°
C2C3C4H3179.3°180.0°
C3C2C1H14179.5°180.0°
C4C3C2C10.0°0.1°
C3C4C5H3180.0°180.0°
C3C4C5C60.8°0.2°
C3C4C5N1179.7°179.6°
C4C3C2H18180.0°179.9°
C2C1C6H14180.0°180.0°
C2C1C6C50.3°0.1°
C2C1C6O1179.7°179.9°
C1C2C3H21180.0°179.9°
C4C5C6C10.3°0.2°
C4C5C6N1179.5°179.8°
C4C5C6O1179.6°179.8°
C4C5N1H120.5°14.2°
C5C4C3H21179.3°180.0°
C1C6C5O1180.0°180.0°
C1C6C5N1179.8°179.5°
C1C6O1C8168.0°164.6°
C6C1C2H18179.5°180.0°
C5C6O1C812.0°15.3°
C6C5N1H1159.0°166.0°
C6C5C4H3179.2°179.8°
C5C6C1H14179.7°179.8°
N1C5C6O10.1°0.4°
N1C5C4H30.4°0.4°
C6O1C8C11160.1°164.7°
O1C6C1H140.3°0.1°
O2C11C8O130.5°0.1°
O2C11C10H61.3°0.0°
C8C11C10H6177.2°180.0°
F1C17C16H170.1°0.3°
H3C4C3H210.7°0.0°
H6C10C9H226.8°0.1°
H7C13C14H160.1°0.2°
H8C20C22H10140.6°145.0°
H8C20C22H110.0°0.0°
H9C20C22H100.0°0.0°
H9C20C22H11140.6°145.0°
H12C24C25H191.7°0.3°
H13C28C27H201.1°0.3°
H14C1C2H180.5°0.0°
H18C2C3H210.0°0.1°

225946

PDB entries from 2024-10-09

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