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A1IQ7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C2O1sing1.43Å1.45Å
O1C3sing1.36Å1.38Å
C3C4doub1.38Å1.38ÅAromatic
C4C5sing1.40Å1.39ÅAromatic
C5C6sing1.48Å1.50Å
C6O2doub1.21Å1.25Å
C6O3sing1.35Å1.25Å
C5C7doub1.40Å1.39ÅAromatic
C7C8sing1.38Å1.38ÅAromatic
C8C9doub1.40Å1.40ÅAromatic
C9C10sing1.48Å1.47Å
C10N1doub1.31Å1.32ÅAromatic
N1N2sing1.40Å1.39ÅAromatic
N2C11sing1.35Å1.40Å
C11O4doub1.22Å1.21Å
C11C12sing1.48Å1.49Å
C12C13doub1.40Å1.39ÅAromatic
C13CL1sing1.74Å1.74Å
C13C14sing1.38Å1.39ÅAromatic
C14C15doub1.38Å1.38ÅAromatic
C15C16sing1.38Å1.38ÅAromatic
C16C17doub1.38Å1.39ÅAromatic
C17C18sing1.51Å1.50Å
C18F1sing1.40Å1.33Å
C18F2sing1.40Å1.33Å
C18F3sing1.40Å1.34Å
N2C19sing1.38Å1.39ÅAromatic
C19C20doub1.39Å1.40ÅAromatic
C20C21sing1.38Å1.38ÅAromatic
C21C22doub1.39Å1.40ÅAromatic
C22CL2sing1.74Å1.75Å
C22C23sing1.38Å1.38ÅAromatic
C23C24doub1.40Å1.40ÅAromatic
C2C25sing1.51Å1.50Å
C25C26doub1.38Å1.39ÅAromatic
C26C27sing1.38Å1.39ÅAromatic
C27C28doub1.38Å1.38ÅAromatic
C28C29sing1.38Å1.38ÅAromatic
C29C30doub1.38Å1.39ÅAromatic
C3C9sing1.40Å1.41ÅAromatic
C10C24sing1.47Å1.43ÅAromatic
C25C30sing1.38Å1.39ÅAromatic
C12C17sing1.40Å1.40ÅAromatic
C19C24sing1.41Å1.40ÅAromatic
C2H4sing1.09Å1.10Å
C4H5sing1.08Å1.08Å
C8H7sing1.08Å1.08Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C14H8sing1.08Å1.08Å
C15H9sing1.08Å1.08Å
C16H10sing1.08Å1.08Å
C20H11sing1.08Å1.08Å
C21H12sing1.08Å1.08Å
C23H13sing1.08Å1.08Å
C26H14sing1.08Å1.08Å
C27H15sing1.08Å1.08Å
C28H16sing1.08Å1.08Å
C29H17sing1.08Å1.08Å
C30H18sing1.08Å1.08Å
C7H6sing1.08Å1.08Å
O3H19sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2O1105.6°109.5°
C1C2C25111.8°109.5°
C1C2H4109.4°109.5°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C2O1C3118.5°117.0°
O1C2C25110.2°109.5°
O1C2H4110.3°109.4°
O1C3C4123.0°120.0°
O1C3C9116.5°120.0°
C3C4C5119.9°119.9°
C4C3C9120.3°119.9°
C3C4H5120.1°120.0°
C4C5C6119.6°120.0°
C4C5C7120.3°120.0°
C5C4H5120.1°120.0°
C5C6O2117.5°120.0°
C5C6O3117.6°120.0°
C6C5C7120.1°120.0°
O2C6O3124.8°120.0°
C6O3H19109.5°117.0°
C5C7C8120.0°120.1°
C5C7H6120.0°120.0°
C7C8C9120.7°120.1°
C7C8H7119.6°120.0°
C8C7H6120.0°120.0°
C8C9C10118.0°120.1°
C8C9C3118.8°119.9°
C9C8H7119.6°119.9°
C9C10N1120.1°126.2°
C10C9C3122.9°120.0°
C9C10C24129.8°126.2°
C10N1N2107.4°110.0°
N1C10C24109.6°107.7°
N1N2C11121.6°125.4°
N1N2C19110.8°109.2°
N2C11O4120.6°120.0°
N2C11C12116.8°120.0°
C11N2C19127.5°125.4°
O4C11C12122.6°120.0°
C11C12C13118.7°120.1°
C11C12C17121.9°120.2°
C12C13CL1121.0°120.1°
C12C13C14121.0°119.8°
C13C12C17119.3°119.7°
CL1C13C14118.0°120.1°
C13C14C15119.3°120.1°
C13C14H8120.3°119.9°
C14C15C16120.5°120.3°
C15C14H8120.3°119.9°
C14C15H9119.8°119.8°
C15C16C17120.7°120.2°
C16C15H9119.7°119.9°
C15C16H10119.6°119.9°
C16C17C18119.0°120.1°
C16C17C12119.1°119.9°
C17C16H10119.6°119.9°
C17C18F1112.6°109.5°
C17C18F2112.7°109.5°
C17C18F3112.7°109.5°
C18C17C12121.9°120.1°
F1C18F2104.7°109.5°
F1C18F3109.0°109.5°
F2C18F3104.5°109.4°
N2C19C20132.7°133.5°
N2C19C24105.3°106.8°
C19C20C21118.0°119.9°
C20C19C24122.0°119.6°
C19C20H11121.0°120.1°
C20C21C22120.0°120.6°
C21C20H11121.0°120.1°
C20C21H12120.0°119.7°
C21C22CL2119.0°119.8°
C21C22C23122.7°120.4°
C22C21H12120.0°119.7°
CL2C22C23118.3°119.8°
C22C23C24117.9°119.7°
C22C23H13121.0°120.2°
C23C24C10133.8°133.8°
C23C24C19119.4°119.8°
C24C23H13121.0°120.1°
C2C25C26120.6°120.0°
C2C25C30120.3°120.0°
C25C2H4109.5°109.5°
C25C26C27120.2°120.0°
C26C25C30119.1°120.0°
C25C26H14119.9°120.1°
C26C27C28120.3°120.0°
C27C26H14119.9°120.0°
C26C27H15119.9°120.0°
C27C28C29119.8°120.0°
C28C27H15119.9°120.0°
C27C28H16120.1°120.0°
C28C29C30120.3°120.0°
C29C28H16120.1°120.0°
C28C29H17119.8°120.0°
C29C30C25120.3°120.0°
C30C29H17119.9°120.0°
C29C30H18119.9°120.0°
C10C24C19106.8°106.3°
C25C30H18119.9°120.0°
H1C1H2109.5°109.4°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2O1C25120.9°120.0°
C1C2O1H4118.1°120.0°
C1C2O1C380.8°86.8°
C1C2C25H4121.3°120.0°
C1C2C25C26134.0°97.7°
C1C2C25C3046.5°82.5°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.0°
C2O1C3C43.6°5.3°
O1C2C25H4121.5°120.0°
O1C2C25C26108.9°142.3°
C2O1C3C9179.9°174.8°
O1C2C25C3070.6°37.5°
O1C2C1H1180.0°60.0°
O1C2C1H260.0°60.0°
O1C2C1H360.0°180.0°
O1C3C4C9176.2°179.9°
O1C3C4C5178.8°180.0°
O1C3C9C8179.9°179.5°
O1C3C9C106.5°0.5°
C3O1C2C25158.3°153.2°
C3O1C2H437.3°33.2°
O1C3C4H51.2°0.2°
C3C4C5H5180.0°179.8°
C3C4C5C6177.8°179.7°
C3C4C5C70.6°0.2°
C4C3C9C83.7°0.6°
C4C3C9C10177.1°179.4°
C4C5C6C7178.5°179.9°
C4C5C6O2162.1°0.1°
C4C5C6O314.8°180.0°
C4C5C7C80.2°0.1°
C5C4C3C92.6°0.1°
C4C5C7H6179.8°180.0°
C5C6O2O3176.6°180.0°
C6C5C7C8178.7°180.0°
C6C5C4H52.2°0.1°
C6C5C7H61.3°0.2°
C5C6O3H19176.6°179.9°
O2C6C5C716.4°179.9°
O2C6O3H190.0°0.0°
O3C6C5C7166.8°0.1°
C5C7C8H6180.0°179.9°
C5C7C8C90.9°0.6°
C7C5C4H5179.4°180.0°
C5C7C8H7179.1°179.8°
C7C8C9H7180.0°179.2°
C7C8C9C10176.6°179.2°
C7C8C9C32.8°0.9°
C8C9C10C3173.5°180.0°
C8C9C10N142.8°134.8°
C8C9C10C24129.1°45.2°
C9C8C7H6179.1°179.5°
C9C10N1C24173.5°180.0°
C9C10N1N2176.8°180.0°
C9C10C24C235.8°0.0°
C9C10C24C19175.2°180.0°
C10C9C8H73.4°0.0°
C10N1N2C11179.5°179.9°
C10N1N2C192.9°0.0°
N1C10C24C23178.4°180.0°
N1C10C9C3143.7°45.2°
N1C10C24C192.6°0.0°
N1N2C11C19175.9°180.0°
N1N2C11O4162.4°85.2°
N1N2C11C1219.4°94.8°
N1N2C19C20178.7°179.9°
N2N1C10C243.3°0.0°
N1N2C19C241.3°0.0°
N2C11O4C12178.1°180.0°
N2C11C12C1356.0°5.9°
C11N2C19C202.4°0.1°
N2C11C12C17124.2°173.9°
C11N2C19C24177.6°180.0°
O4C11C12C13122.2°174.1°
O4C11N2C1921.7°94.8°
O4C11C12C1757.7°6.1°
C11C12C13C17179.9°179.7°
C11C12C13CL10.7°0.0°
C11C12C13C14179.9°180.0°
C11C12C17C16179.6°179.7°
C11C12C17C180.4°0.1°
C12C11N2C19156.5°85.2°
C12C13CL1C14179.3°179.9°
C12C13C14C150.4°0.0°
C13C12C17C160.2°0.5°
C13C12C17C18179.4°179.7°
C12C13C14H8179.6°179.9°
CL1C13C14C15179.7°180.0°
CL1C13C12C17179.5°179.8°
CL1C13C14H80.3°0.0°
C13C14C15H8180.0°180.0°
C13C14C15C160.1°0.0°
C14C13C12C170.2°0.3°
C13C14C15H9179.9°180.0°
C14C15C16H9180.0°180.0°
C14C15C16C170.4°0.3°
C14C15C16H10179.7°180.0°
C15C16C17H10180.0°179.7°
C15C16C17C18179.8°179.7°
C15C16C17C120.5°0.5°
C16C15C14H8179.9°180.0°
C16C17C18C12179.2°179.8°
C16C17C18F1100.1°0.2°
C16C17C18F218.1°120.2°
C16C17C18F3136.1°119.8°
C17C16C15H9179.6°179.7°
C17C18F1F2122.8°120.0°
C17C18F1F3125.8°120.0°
C17C18F2F3122.8°120.0°
C18C17C16H100.3°0.1°
F1C18F2F3114.5°120.0°
F1C18C17C1279.1°180.0°
F2C18C17C12162.7°60.0°
F3C18C17C1244.6°60.0°
N2C19C20C24180.0°179.9°
N2C19C20C21178.4°179.9°
N2C19C24C23179.9°180.0°
N2C19C24C100.7°0.0°
N2C19C20H111.6°0.1°
C19C20C21H11180.0°180.0°
C19C20C21C221.7°0.0°
C20C19C24C230.1°0.1°
C20C19C24C10179.3°179.9°
C19C20C21H12178.3°180.0°
C20C21C22H12180.0°180.0°
C20C21C22CL2179.3°179.9°
C20C21C22C230.2°0.0°
C21C20C19C241.5°0.1°
C21C22CL2C23179.5°180.0°
C21C22C23C241.5°0.1°
C22C21C20H11178.3°180.0°
C21C22C23H13178.5°180.0°
CL2C22C23C24179.0°179.9°
CL2C22C21H120.7°0.0°
CL2C22C23H131.0°0.0°
C22C23C24H13180.0°179.9°
C22C23C24C10179.5°179.9°
C22C23C24C191.6°0.1°
C23C22C21H12179.8°180.0°
C23C24C10C19179.0°180.0°
C2C25C26C30179.5°179.8°
C2C25C26C27180.0°180.0°
C2C25C30C29179.8°179.8°
C25C2C1H160.1°60.0°
C25C2C1H259.9°180.0°
C25C2C1H3179.8°60.0°
C2C25C26H140.1°0.0°
C2C25C30H180.2°0.1°
C25C26C27H14180.0°180.0°
C25C26C27C280.3°0.0°
C26C25C30C290.8°0.5°
C26C25C2H412.6°22.3°
C25C26C27H15179.7°180.0°
C26C25C30H18179.2°179.7°
C26C27C28H15180.0°180.0°
C26C27C28C290.2°0.0°
C27C26C25C300.6°0.3°
C26C27C28H16179.8°180.0°
C27C28C29H16180.0°179.9°
C27C28C29C300.4°0.2°
C28C27C26H14179.7°180.0°
C27C28C29H17179.6°180.0°
C28C29C30H17180.0°179.7°
C28C29C30C250.7°0.5°
C29C28C27H15179.8°180.0°
C28C29C30H18179.3°179.7°
C29C30C25H18180.0°179.8°
C30C29C28H16179.6°179.8°
C3C9C10C2444.3°134.9°
C9C3C4H5177.4°179.7°
C3C9C8H7177.2°180.0°
C10C24C23H130.5°0.0°
C30C25C2H4167.9°157.4°
C30C25C26H14179.4°179.8°
C25C30C29H17179.3°179.8°
C12C17C16H10179.5°179.7°
C24C19C20H11178.5°180.0°
C19C24C23H13178.4°180.0°
H4C2C1H161.3°179.9°
H4C2C1H2178.7°60.0°
H4C2C1H358.7°60.1°
H7C8C7H60.9°0.4°
H1C1H2H3120.0°120.0°
H8C14C15H90.1°0.0°
H9C15C16H100.4°0.0°
H11C20C21H121.7°0.0°
H14C26C27H150.3°0.0°
H15C27C28H160.2°0.1°
H16C28C29H170.4°0.1°
H17C29C30H180.7°0.0°

250835

PDB entries from 2026-03-18

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