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A1IP5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1doub1.21Å1.26Å
C1O2sing1.35Å1.27Å
C1C2sing1.48Å1.51Å
C2C3doub1.40Å1.39ÅAromatic
C3C4sing1.38Å1.38ÅAromatic
C4C5doub1.38Å1.38ÅAromatic
C5C6sing1.38Å1.39ÅAromatic
C6C7sing1.51Å1.50Å
C7O3sing1.43Å1.43Å
O3C8sing1.36Å1.36Å
C8C9doub1.38Å1.38ÅAromatic
C9C10sing1.40Å1.39ÅAromatic
C10C11sing1.48Å1.50Å
C11O4doub1.22Å1.26Å
C11O5sing1.35Å1.25Å
C10C12doub1.40Å1.39ÅAromatic
C12C13sing1.38Å1.38ÅAromatic
C13C14doub1.40Å1.40ÅAromatic
C14C15sing1.48Å1.47Å
C15N1doub1.31Å1.32ÅAromatic
N1N2sing1.40Å1.38ÅAromatic
N2C16sing1.35Å1.39Å
C16O6doub1.21Å1.21Å
C16C17sing1.48Å1.49Å
C17C18doub1.40Å1.39ÅAromatic
C18CL1sing1.74Å1.73Å
C18C19sing1.38Å1.38ÅAromatic
C19C20doub1.38Å1.37ÅAromatic
C20C21sing1.38Å1.38ÅAromatic
C21C22doub1.38Å1.39ÅAromatic
C22C23sing1.51Å1.50Å
C23F1sing1.40Å1.32Å
C23F2sing1.40Å1.33Å
C23F3sing1.40Å1.31Å
N2C24sing1.38Å1.39ÅAromatic
C24C25doub1.39Å1.39ÅAromatic
C25C26sing1.38Å1.37ÅAromatic
C26C27doub1.39Å1.40ÅAromatic
C27CL2sing1.74Å1.75Å
C27C28sing1.38Å1.38ÅAromatic
C28C29doub1.39Å1.40ÅAromatic
C6C30doub1.38Å1.38ÅAromatic
C2C30sing1.40Å1.39ÅAromatic
C8C14sing1.40Å1.40ÅAromatic
C15C29sing1.47Å1.44ÅAromatic
C17C22sing1.40Å1.40ÅAromatic
C24C29sing1.41Å1.40ÅAromatic
O2H16sing0.97Å0.95Å
C4H2sing1.08Å1.08Å
C7H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C5H3sing1.08Å1.08Å
C12H7sing1.08Å1.08Å
C13H8sing1.08Å1.08Å
C19H9sing1.08Å1.08Å
C20H10sing1.08Å1.08Å
C21H11sing1.08Å1.08Å
C25H12sing1.08Å1.08Å
C26H13sing1.08Å1.08Å
C28H14sing1.08Å1.08Å
C3H1sing1.08Å1.08Å
C30H15sing1.08Å1.08Å
C9H6sing1.08Å1.08Å
O5H17sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1O2125.6°120.0°
O1C1C2116.7°120.0°
O2C1C2117.6°120.0°
C1O2H16109.5°116.9°
C1C2C3120.3°120.1°
C1C2C30120.2°120.1°
C2C3C4120.1°119.8°
C3C2C30119.5°119.7°
C2C3H1120.0°120.0°
C3C4C5120.1°120.2°
C3C4H2119.9°120.0°
C4C3H1119.9°120.1°
C4C5C6120.3°120.3°
C5C4H2119.9°119.8°
C4C5H3119.8°119.9°
C5C6C7122.2°119.9°
C5C6C30119.2°120.2°
C6C5H3119.9°119.9°
C6C7O3106.8°109.5°
C7C6C30118.6°119.9°
C6C7H4110.1°109.5°
C6C7H5110.1°109.5°
C7O3C8117.7°117.0°
O3C7H4110.1°109.4°
O3C7H5110.2°109.5°
O3C8C9120.7°120.0°
O3C8C14118.7°120.1°
C8C9C10120.6°119.9°
C9C8C14120.5°119.9°
C8C9H6119.7°120.1°
C9C10C11119.6°120.0°
C9C10C12119.5°120.0°
C10C9H6119.7°120.0°
C10C11O4118.3°120.0°
C10C11O5117.8°120.0°
C11C10C12120.8°120.0°
O4C11O5123.7°120.1°
C11O5H17109.5°117.0°
C10C12C13119.9°120.1°
C10C12H7120.1°119.9°
C12C13C14121.4°120.0°
C13C12H7120.0°119.9°
C12C13H8119.3°120.0°
C13C14C15118.2°120.0°
C13C14C8118.1°120.0°
C14C13H8119.3°120.0°
C14C15N1119.0°126.2°
C15C14C8123.4°120.0°
C14C15C29130.9°126.2°
C15N1N2107.5°110.0°
N1C15C29109.6°107.6°
N1N2C16122.2°125.4°
N1N2C24111.1°109.2°
N2C16O6120.9°120.0°
N2C16C17115.1°120.0°
C16N2C24126.6°125.4°
O6C16C17124.0°120.0°
C16C17C18118.8°120.1°
C16C17C22122.4°120.2°
C17C18CL1120.8°120.1°
C17C18C19121.5°119.8°
C18C17C22118.9°119.7°
CL1C18C19117.7°120.1°
C18C19C20119.0°120.1°
C18C19H9120.5°120.0°
C19C20C21120.6°120.3°
C20C19H9120.5°119.9°
C19C20H10119.7°119.8°
C20C21C22120.7°120.2°
C21C20H10119.7°119.9°
C20C21H11119.6°119.9°
C21C22C23118.7°120.1°
C21C22C17119.3°119.9°
C22C21H11119.6°119.9°
C22C23F1112.3°109.5°
C22C23F2113.1°109.5°
C22C23F3112.4°109.5°
C23C22C17122.0°120.0°
F1C23F2105.0°109.4°
F1C23F3107.9°109.5°
F2C23F3105.6°109.5°
N2C24C25132.0°133.6°
N2C24C29105.3°106.9°
C24C25C26117.6°119.9°
C25C24C29122.7°119.6°
C24C25H12121.2°120.0°
C25C26C27120.0°120.6°
C26C25H12121.2°120.1°
C25C26H13120.0°119.7°
C26C27CL2117.4°119.8°
C26C27C28123.1°120.4°
C27C26H13120.0°119.7°
CL2C27C28119.5°119.8°
C27C28C29117.6°119.7°
C27C28H14121.2°120.1°
C28C29C15134.6°133.8°
C28C29C24118.9°119.9°
C29C28H14121.2°120.2°
C6C30C2120.8°119.8°
C6C30H15119.6°120.1°
C2C30H15119.6°120.1°
C15C29C24106.4°106.3°
H4C7H5109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1O2C2178.5°180.0°
O1C1C2C32.9°179.9°
O1C1C2C30178.2°0.3°
O1C1O2H160.0°0.0°
O2C1C2C3175.8°0.1°
O2C1C2C303.2°179.7°
C1C2C3C30179.0°179.6°
C1C2C3C4179.1°180.0°
C1C2C30C6179.3°179.7°
C2C1O2H16178.6°180.0°
C1C2C3H10.9°0.4°
C1C2C30H150.7°0.4°
C2C3C4H1180.0°179.6°
C2C3C4C50.0°0.4°
C3C2C30C60.3°0.1°
C2C3C4H2180.0°179.7°
C3C2C30H15179.7°180.0°
C3C4C5H2180.0°179.9°
C3C4C5C60.2°0.0°
C4C3C2C300.1°0.4°
C3C4C5H3179.8°179.9°
C4C5C6H3180.0°179.9°
C4C5C6C7180.0°180.0°
C4C5C6C300.5°0.2°
C5C4C3H1180.0°180.0°
C5C6C7C30179.6°179.8°
C5C6C7O363.8°94.7°
C5C6C30C20.5°0.2°
C6C5C4H2179.8°180.0°
C5C6C7H4176.6°25.3°
C5C6C7H555.8°145.3°
C5C6C30H15179.5°179.7°
C6C7O3H4119.6°120.0°
C6C7O3H5119.6°120.1°
C6C7O3C8156.5°175.0°
C7C6C30C2179.9°180.0°
C6C7H4H5121.2°120.1°
C7C6C5H30.0°0.0°
C7C6C30H150.1°0.1°
C7O3C8C94.5°5.2°
O3C7C6C30116.6°85.1°
C7O3C8C14177.4°175.1°
O3C7H4H5121.2°120.0°
O3C8C9C14178.1°179.7°
O3C8C9C10178.6°179.7°
O3C8C14C13179.9°179.7°
O3C8C14C156.5°0.3°
C8O3C7H437.0°65.0°
C8O3C7H583.9°55.0°
O3C8C9H61.4°0.3°
C8C9C10H6180.0°180.0°
C8C9C10C11178.6°180.0°
C8C9C10C120.9°0.0°
C9C8C14C131.9°0.0°
C9C8C14C15175.3°179.9°
C9C10C11C12177.7°180.0°
C9C10C11O4154.5°0.0°
C9C10C11O520.5°180.0°
C9C10C12C130.8°0.0°
C10C9C8C140.4°0.0°
C9C10C12H7179.2°180.0°
C10C11O4O5174.6°179.9°
C11C10C12C13178.4°180.0°
C11C10C12H71.6°0.0°
C11C10C9H61.3°0.0°
C10C11O5H17174.7°179.9°
O4C11C10C1223.2°180.0°
O4C11O5H170.0°0.0°
O5C11C10C12161.8°0.0°
C10C12C13H7180.0°179.9°
C10C12C13C140.8°0.0°
C10C12C13H8179.2°180.0°
C12C10C9H6179.1°180.0°
C12C13C14H8180.0°180.0°
C12C13C14C15175.9°179.9°
C12C13C14C82.1°0.0°
C13C14C15C8173.4°179.9°
C13C14C15N139.0°138.7°
C13C14C15C29132.0°41.4°
C14C13C12H7179.2°180.0°
C14C15N1C29172.8°179.9°
C14C15N1N2176.0°180.0°
C14C15C29C286.8°0.1°
C14C15C29C24174.4°180.0°
C15C14C13H84.1°0.1°
C15N1N2C16179.0°180.0°
C15N1N2C242.6°0.0°
N1C15C29C28178.4°180.0°
N1C15C14C8147.6°41.3°
N1C15C29C242.8°0.0°
N1N2C16C24175.8°180.0°
N1N2C16O6160.4°93.8°
N1N2C16C1721.5°86.2°
N1N2C24C25178.7°180.0°
N2N1C15C293.2°0.0°
N1N2C24C290.8°0.0°
N2C16O6C17177.8°179.9°
N2C16C17C1862.2°4.5°
C16N2C24C252.5°0.0°
N2C16C17C22116.9°175.8°
C16N2C24C29177.0°180.0°
O6C16C17C18115.7°175.6°
O6C16N2C2423.8°86.1°
O6C16C17C2265.2°4.1°
C16C17C18C22179.2°179.6°
C16C17C18CL10.7°0.1°
C16C17C18C19179.2°180.0°
C16C17C22C21179.7°179.7°
C16C17C22C230.3°0.1°
C17C16N2C24154.2°93.8°
C17C18CL1C19178.5°179.9°
C17C18C19C201.9°0.0°
C18C17C22C211.2°0.6°
C18C17C22C23179.4°179.7°
C17C18C19H9178.1°179.9°
CL1C18C19C20179.7°179.9°
CL1C18C17C22179.9°179.8°
CL1C18C19H90.3°0.0°
C18C19C20H9180.0°179.9°
C18C19C20C211.6°0.1°
C19C18C17C221.7°0.3°
C18C19C20H10178.4°180.0°
C19C20C21H10180.0°180.0°
C19C20C21C221.2°0.2°
C19C20C21H11178.8°180.0°
C20C21C22H11180.0°179.7°
C20C21C22C23179.7°179.7°
C20C21C22C171.0°0.6°
C21C20C19H9178.4°179.9°
C21C22C23C17179.4°179.7°
C21C22C23F124.1°0.3°
C21C22C23F2142.6°120.3°
C21C22C23F397.9°119.7°
C22C21C20H10178.8°179.7°
C22C23F1F2123.2°120.0°
C22C23F1F3124.5°120.0°
C22C23F2F3123.4°120.0°
C23C22C21H110.3°0.0°
F1C23F2F3114.0°120.0°
F1C23C22C17156.5°180.0°
F2C23C22C1738.0°60.1°
F3C23C22C1781.5°60.0°
N2C24C25C29179.4°180.0°
N2C24C25C26178.2°180.0°
N2C24C29C28179.8°180.0°
N2C24C29C151.1°0.0°
N2C24C25H121.8°0.0°
C24C25C26H12180.0°179.9°
C24C25C26C271.4°0.1°
C25C24C29C280.3°0.0°
C25C24C29C15179.4°180.0°
C24C25C26H13178.5°180.0°
C25C26C27H13180.0°180.0°
C25C26C27CL2179.2°180.0°
C25C26C27C280.2°0.1°
C26C25C24C291.2°0.0°
C26C27CL2C28179.5°179.9°
C26C27C28C291.3°0.1°
C27C26C25H12178.6°180.0°
C26C27C28H14178.8°179.9°
CL2C27C28C29179.3°180.0°
CL2C27C26H130.8°0.0°
CL2C27C28H140.7°0.0°
C27C28C29H14180.0°180.0°
C27C28C29C15179.8°180.0°
C27C28C29C241.5°0.1°
C28C27C26H13179.7°179.9°
C28C29C15C24178.8°179.9°
C6C30C2H15180.0°179.9°
C30C6C7H43.0°155.0°
C30C6C7H5123.8°35.0°
C30C6C5H3179.6°179.8°
C30C2C3H1179.9°180.0°
C8C14C15C2941.4°138.6°
C8C14C13H8177.9°180.0°
C14C8C9H6179.6°180.0°
C15C29C28H140.2°0.1°
C17C22C21H11179.0°179.7°
C29C24C25H12178.8°180.0°
C24C29C28H14178.5°180.0°
H2C4C5H30.2°0.0°
H2C4C3H10.0°0.1°
H7C12C13H80.8°0.0°
H9C19C20H101.6°0.1°
H10C20C21H111.2°0.0°
H12C25C26H131.4°0.0°

250835

PDB entries from 2026-03-18

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