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ZAA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C3C13sing1.51Å1.52Å
C13C14sing1.53Å1.52Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C17C18doub1.38Å1.39ÅAromatic
C18C19sing1.38Å1.40ÅAromatic
C18H18sing1.08Å1.08Å
C17C16sing1.39Å1.40ÅAromatic
C17H17sing1.08Å1.08Å
O15C16sing1.36Å1.33Å
C16C21doub1.39Å1.39ÅAromatic
C19C20doub1.38Å1.40ÅAromatic
C19H19sing1.08Å1.08Å
C21C20sing1.38Å1.40ÅAromatic
C20C22sing1.51Å1.53Å
C21H21sing1.08Å1.08Å
C23C22sing1.51Å1.51Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C24C23sing1.40Å1.40ÅAromatic
C23N27doub1.31Å1.35ÅAromatic
C34C24sing1.51Å1.51Å
N25C24doub1.31Å1.34ÅAromatic
C10C11doub1.38Å1.41ÅAromatic
C11C12sing1.38Å1.40ÅAromatic
C11H11sing1.08Å1.08Å
C12C7doub1.40Å1.40ÅAromatic
C12H12sing1.08Å1.08Å
C34C35sing1.51Å1.51Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C28C33doub1.39Å1.39ÅAromatic
C32C33sing1.38Å1.39ÅAromatic
C33H33sing1.08Å1.08Å
C2C1sing1.51Å1.52Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
O6C2sing1.35Å1.30ÅAromatic
C3C2doub1.35Å1.40ÅAromatic
N4C3sing1.34Å1.36ÅAromatic
C5N4doub1.31Å1.35ÅAromatic
C7C5sing1.48Å1.49ÅAromatic
C5O6sing1.34Å1.30ÅAromatic
C8C7sing1.40Å1.41ÅAromatic
C9C8doub1.38Å1.40ÅAromatic
C8H8sing1.08Å1.08Å
C10C9sing1.38Å1.40ÅAromatic
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C14O15sing1.43Å1.44Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
N25N26sing1.29Å1.33ÅAromatic
C28N26sing1.40Å1.35ÅAromatic
N26N27sing1.29Å1.32ÅAromatic
C29C28sing1.39Å1.40ÅAromatic
C30C29doub1.38Å1.39ÅAromatic
C29H29sing1.08Å1.08Å
C30C31sing1.38Å1.39ÅAromatic
C30H30sing1.08Å1.08Å
C31C32doub1.38Å1.40ÅAromatic
C31H31sing1.08Å1.08Å
C32H32sing1.08Å1.08Å
O36C35doub1.21Å1.22Å
C35O37sing1.34Å1.34Å
O37HO37sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C13C14111.6°109.5°
C3C13H13108.8°109.5°
C3C13H13A108.3°109.4°
C13C3C2133.8°126.2°
C13C3N4122.0°126.0°
C14C13H13108.8°109.5°
C14C13H13A108.3°109.4°
C13C14O15112.7°109.5°
C13C14H14108.4°109.5°
C13C14H14A107.7°109.4°
H13C13H13A111.1°109.4°
C17C18C19119.7°120.0°
C17C18H18120.1°120.0°
C18C17C16120.5°120.0°
C18C17H17119.7°120.0°
C19C18H18120.1°120.0°
C18C19C20122.3°120.1°
C18C19H19118.9°119.9°
C16C17H17119.7°120.0°
C17C16O15127.1°120.0°
C17C16C21117.1°119.9°
O15C16C21115.9°120.1°
C16O15C14118.6°117.0°
C16C21C20125.2°119.9°
C16C21H21117.4°120.0°
C20C19H19118.8°120.0°
C19C20C21115.2°120.1°
C19C20C22125.0°119.9°
C21C20C22119.8°120.0°
C20C21H21117.4°120.1°
C20C22C23110.0°109.5°
C20C22H22109.3°109.5°
C20C22H22A109.2°109.5°
C23C22H22109.3°109.4°
C23C22H22A109.2°109.4°
C22C23C24131.8°127.1°
C22C23N27123.8°127.1°
H22C22H22A109.9°109.4°
C24C23N27104.4°105.9°
C23C24C34134.2°127.1°
C23C24N25106.3°105.9°
C23N27N26112.6°108.7°
C34C24N25119.4°127.0°
C24C34C35110.9°109.5°
C24C34H34109.0°109.5°
C24C34H34A108.7°109.4°
C24N25N26111.3°108.7°
C10C11C12119.1°120.2°
C10C11H11120.5°119.9°
C11C10C9121.2°120.3°
C11C10H10119.4°119.9°
C12C11H11120.4°119.9°
C11C12C7119.5°119.9°
C11C12H12120.3°120.1°
C7C12H12120.2°120.0°
C12C7C5118.3°120.1°
C12C7C8121.4°119.7°
C35C34H34109.0°109.5°
C35C34H34A108.7°109.4°
C34C35O36120.8°120.0°
C34C35O37122.1°120.0°
H34C34H34A110.6°109.5°
C28C33C32118.7°119.9°
C28C33H33120.6°120.0°
C33C28N26117.3°120.0°
C33C28C29122.0°119.9°
C32C33H33120.6°120.0°
C33C32C31120.2°120.1°
C33C32H32119.9°120.0°
C2C1H1109.5°109.5°
C2C1H1A109.5°109.5°
C2C1H1B109.4°109.5°
C1C2O6120.8°126.4°
C1C2C3131.8°126.3°
H1C1H1A109.5°109.4°
H1C1H1B109.4°109.5°
H1AC1H1B109.5°109.4°
O6C2C3107.3°107.3°
C2O6C5112.3°107.7°
C2C3N4104.2°107.8°
C3N4C5109.9°108.6°
N4C5C7119.1°125.7°
N4C5O6106.2°108.5°
C7C5O6134.6°125.7°
C5C7C8120.3°120.2°
C7C8C9119.0°119.9°
C7C8H8120.5°120.0°
C9C8H8120.5°120.1°
C8C9C10119.8°120.1°
C8C9H9120.1°120.0°
C10C9H9120.1°119.9°
C9C10H10119.4°119.8°
O15C14H14108.4°109.5°
O15C14H14A107.7°109.5°
H14C14H14A112.1°109.5°
N25N26C28130.3°124.6°
N25N26N27105.4°110.8°
C28N26N27124.1°124.6°
N26C28C29120.5°120.1°
C28C29C30118.4°119.9°
C28C29H29120.8°120.1°
C30C29H29120.8°120.0°
C29C30C31120.4°120.1°
C29C30H30119.8°120.0°
C31C30H30119.8°119.9°
C30C31C32120.2°120.1°
C30C31H31119.9°119.9°
C32C31H31119.9°119.9°
C31C32H32119.9°120.0°
O36C35O37117.1°120.0°
C35O37HO37109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C13C14H13120.0°120.1°
C3C13C14H13A119.1°120.0°
C3C13H13H13A119.1°120.0°
C13C3C2C11.3°0.0°
C13C3C2O6179.6°179.8°
C13C3C2N4179.2°180.0°
C13C3N4C5179.9°180.0°
C3C13C14O1567.0°179.9°
C3C13C14H1453.0°60.0°
C3C13C14H14A174.4°60.1°
C14C13H13H13A119.1°120.0°
C13C14O15C16178.6°180.0°
C14C13C3C2100.1°90.0°
C14C13C3N480.8°90.0°
C13C14O15H14120.0°120.0°
C13C14O15H14A118.6°120.0°
C13C14H14H14A118.7°120.0°
H13C13C3C2139.9°150.0°
H13C13C3N439.2°30.0°
H13C13C14O15173.0°60.0°
H13C13C14H1467.0°180.0°
H13C13C14H14A54.4°60.0°
H13AC13C3C219.0°30.0°
H13AC13C3N4160.1°150.0°
H13AC13C14O1552.1°60.0°
H13AC13C14H14172.1°60.0°
H13AC13C14H14A66.5°180.0°
C17C18C19H18180.0°179.7°
C18C17C16H17180.0°180.0°
C18C17C16O15179.8°180.0°
C18C17C16C210.2°0.0°
C17C18C19C200.6°0.3°
C17C18C19H19179.4°179.7°
C19C18C17C160.4°0.0°
C19C18C17H17179.7°180.0°
C18C19C20H19180.0°179.9°
C18C19C20C210.7°0.5°
C18C19C20C22179.4°180.0°
H18C18C17C16179.6°179.7°
H18C18C17H170.3°0.3°
H18C18C19C20179.4°179.9°
H18C18C19H190.6°0.0°
C17C16O15C21180.0°180.0°
C17C16C21C200.3°0.2°
C17C16C21H21179.7°180.0°
C17C16O15C146.6°0.0°
H17C17C16O150.2°0.0°
H17C17C16C21179.8°180.0°
O15C16C21C20179.7°179.8°
O15C16C21H210.3°0.0°
C16O15C14H1458.7°60.0°
C16O15C14H14A62.8°60.0°
C16C21C20C190.5°0.5°
C16C21C20H21180.0°179.7°
C16C21C20C22179.6°180.0°
C21C16O15C14173.4°180.0°
C19C20C21C22179.9°179.5°
C19C20C21H21179.5°179.8°
C19C20C22C23120.4°90.0°
C19C20C22H220.4°150.0°
C19C20C22H22A119.8°30.0°
H19C19C20C21179.3°179.5°
H19C19C20C220.6°0.1°
C21C20C22C2359.7°90.5°
C21C20C22H22179.7°29.5°
C21C20C22H22A60.1°149.5°
C22C20C21H210.5°0.3°
C20C22C23H22120.0°120.0°
C20C22C23H22A119.8°120.1°
C20C22H22H22A119.8°120.1°
C20C22C23C2481.7°89.7°
C20C22C23N2796.4°90.0°
C23C22H22H22A119.8°119.9°
C22C23C24N27178.4°179.8°
C22C23C24C341.0°0.0°
C22C23C24N25178.1°180.0°
C22C23N27N26179.0°179.9°
H22C22C23C2438.3°150.3°
H22C22C23N27143.6°30.0°
H22AC22C23C24158.5°30.3°
H22AC22C23N2723.3°150.0°
C23C24C34N25179.0°180.0°
C23C24C34C3570.2°89.9°
C23C24C34H34169.8°150.0°
C23C24C34H34A49.2°30.0°
C23C24N25N261.0°0.0°
C24C23N27N260.4°0.4°
N27C23C24C34179.4°179.8°
N27C23C24N250.4°0.2°
C23N27N26N251.0°0.4°
C23N27N26C28176.9°179.8°
C24C34C35H34120.0°120.1°
C24C34C35H34A119.4°119.9°
C24C34H34H34A119.4°120.0°
C34C24N25N26179.8°180.0°
C24C34C35O36160.1°0.1°
C24C34C35O3720.2°180.0°
N25C24C34C35110.8°90.0°
N25C24C34H349.2°30.0°
N25C24C34H34A129.8°150.0°
C24N25N26C28176.8°180.0°
C24N25N26N271.2°0.2°
C10C11C12H11180.0°179.7°
C10C11C12C70.1°0.3°
C10C11C12H12179.9°179.7°
C11C10C9C80.7°0.6°
C11C10C9H10180.0°179.3°
C11C10C9H9179.3°179.7°
C11C12C7H12180.0°180.0°
C11C12C7C5178.6°180.0°
C11C12C7C80.7°0.0°
C12C11C10C90.6°0.6°
C12C11C10H10179.4°179.9°
H11C11C12C7179.9°180.0°
H11C11C12H120.1°0.0°
H11C11C10C9179.4°179.7°
H11C11C10H100.6°0.4°
C12C7C5N46.3°180.0°
C12C7C5C8177.9°180.0°
C12C7C5O6176.1°0.3°
C12C7C8C90.6°0.0°
C12C7C8H8179.4°179.9°
H12C12C7C51.4°0.0°
H12C12C7C8179.3°180.0°
C35C34H34H34A119.4°120.0°
C34C35O36O37179.7°179.9°
C34C35O37HO37179.7°180.0°
H34C34C35O3679.9°120.0°
H34C34C35O3799.8°59.9°
H34AC34C35O3640.7°120.0°
H34AC34C35O37139.6°60.1°
C28C33C32H33180.0°179.8°
C33C28N26N25162.0°0.1°
C33C28N26C29175.7°180.0°
C33C28N26N2712.8°179.7°
C33C28C29C302.3°0.0°
C33C28C29H29177.7°180.0°
C28C33C32C311.3°0.5°
C28C33C32H32178.7°180.0°
C32C33C28N26178.0°179.8°
C32C33C28C292.4°0.3°
C33C32C31C300.2°0.5°
C33C32C31H32180.0°179.5°
C33C32C31H31179.8°179.8°
H33C33C28N262.0°0.0°
H33C33C28C29177.6°180.0°
H33C33C32C31178.7°179.7°
H33C33C32H321.3°0.2°
C2C1H1H1A120.0°120.0°
C2C1H1H1B120.0°120.1°
C2C1H1AH1B120.0°120.0°
C1C2O6C3179.2°179.7°
C1C2C3N4179.5°180.0°
C1C2O6C5179.1°179.9°
H1C1H1AH1B120.0°119.9°
H1C1C2O60.6°90.3°
H1C1C2C3178.4°90.0°
H1AC1C2O6120.6°29.7°
H1AC1C2C358.4°150.0°
H1BC1C2O6119.4°149.7°
H1BC1C2C361.7°30.0°
O6C2C3N40.4°0.2°
C2O6C5N40.5°0.4°
C2O6C5C7178.3°179.8°
C2C3N4C50.8°0.0°
C3C2O6C50.1°0.4°
C3N4C5C7179.0°180.0°
C3N4C5O60.8°0.2°
N4C5C7O6177.6°179.8°
N4C5C7C8171.5°0.0°
C5C7C8C9178.4°180.0°
C5C7C8H81.6°0.1°
O6C5C7C86.1°179.7°
C7C8C9H8180.0°179.9°
C7C8C9C100.1°0.4°
C7C8C9H9179.9°180.0°
C8C9C10H9180.0°179.7°
C8C9C10H10179.3°180.0°
H8C8C9C10179.9°179.8°
H8C8C9H90.1°0.1°
H9C9C10H100.7°0.3°
O15C14H14H14A118.7°120.0°
N25N26C28N27174.9°179.8°
N25N26C28C2913.7°179.9°
N26C28C29C30177.8°180.0°
N26C28C29H292.2°0.0°
N27N26C28C29171.4°0.3°
C28C29C30H29180.0°180.0°
C28C29C30C311.1°0.0°
C28C29C30H30178.9°180.0°
C29C30C31H30180.0°180.0°
C29C30C31C320.1°0.2°
C29C30C31H31179.9°180.0°
H29C29C30C31178.9°180.0°
H29C29C30H301.1°0.0°
C30C31C32H31180.0°179.7°
C30C31C32H32179.8°180.0°
H30C30C31C32179.9°179.8°
H30C30C31H310.1°0.1°
H31C31C32H320.2°0.3°
O36C35O37HO370.0°0.0°

248636

PDB entries from 2026-02-04

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