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A1IX3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C9sing1.51Å1.51Å
C1N1sing1.35Å1.35Å
C1O1doub1.21Å1.17Å
C10C11doub1.37Å1.39ÅAromatic
C10C22sing1.40Å1.40ÅAromatic
C10O2sing1.36Å1.38Å
C11C12sing1.40Å1.40ÅAromatic
C12C13doub1.41Å1.40ÅAromatic
C12C20sing1.42Å1.43ÅAromatic
C13C14sing1.36Å1.38ÅAromatic
C14C15sing1.51Å1.52Å
C14C18doub1.39Å1.39ÅAromatic
C15C16sing1.53Å1.53Å
C16C17sing1.51Å1.54Å
C17O3sing1.34Å1.35Å
C17O4doub1.21Å1.22Å
C18C19sing1.36Å1.38ÅAromatic
C19C20doub1.40Å1.39ÅAromatic
C2C3sing1.46Å1.54Å
C2C8sing1.54Å1.54Å
C2N1sing1.46Å1.47Å
C20C21sing1.41Å1.43ÅAromatic
C21C22doub1.36Å1.40ÅAromatic
C3C4sing1.54Å1.55Å
C4C5sing1.51Å1.53Å
C5C6sing1.54Å1.54Å
C6C7sing1.54Å1.53Å
C7C8sing1.50Å1.54Å
C9O2sing1.43Å1.43Å
C2HC2sing1.09Å1.10Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C5H51sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C7H71sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C8H81sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C9H91sing1.09Å1.10Å
C11HC11sing1.08Å1.08Å
C13HC13sing1.08Å1.08Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C18HC18sing1.08Å1.08Å
C19HC19sing1.08Å1.08Å
C21HC21sing1.08Å1.08Å
C22HC22sing1.08Å1.08Å
N1HN1sing0.97Å1.00Å
O3H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C9C1N1115.6°120.0°
C9C1O1116.6°120.0°
C1C9O2104.4°109.5°
C1C9H92110.7°109.5°
C1C9H91110.7°109.5°
N1C1O1127.7°120.0°
C1N1C2131.0°120.0°
C1N1HN1114.5°120.0°
C11C10C22119.6°120.8°
C11C10O2122.6°119.5°
C10C11C12119.6°119.6°
C10C11HC11120.2°120.1°
C22C10O2117.7°119.6°
C10C22C21122.9°121.0°
C10C22HC22118.6°119.5°
C10O2C9123.2°117.0°
C11C12C13119.3°121.3°
C11C12C20120.8°119.4°
C12C11HC11120.2°120.2°
C13C12C20120.0°119.3°
C12C13C14120.6°119.7°
C12C13HC13119.7°120.2°
C12C20C19117.4°119.3°
C12C20C21119.5°119.4°
C13C14C15114.4°119.5°
C13C14C18119.7°120.9°
C14C13HC13119.7°120.2°
C15C14C18125.9°119.5°
C14C15C16121.2°109.5°
C14C15H151106.5°109.5°
C14C15H152106.5°109.5°
C14C18C19119.8°121.0°
C14C18HC18120.1°119.5°
C15C16C17109.1°109.5°
C16C15H151106.5°109.4°
C16C15H152106.4°109.5°
C15C16H161109.5°109.4°
C15C16H162109.5°109.5°
C16C17O3114.7°120.0°
C16C17O4124.9°120.0°
C17C16H161109.5°109.5°
C17C16H162109.6°109.5°
O3C17O4120.4°120.0°
C17O3H1109.5°117.0°
C18C19C20122.5°119.7°
C19C18HC18120.1°119.5°
C18C19HC19118.8°120.2°
C19C20C21123.1°121.2°
C20C19HC19118.8°120.1°
C3C2C8114.6°112.4°
C3C2N1114.9°108.9°
C2C3C4117.2°112.4°
C3C2HC2105.5°108.9°
C2C3H31107.5°108.9°
C2C3H32107.5°108.9°
C8C2N1109.1°108.9°
C2C8C7118.1°108.5°
C8C2HC2105.6°108.9°
C2C8H82107.2°109.7°
C2C8H81107.3°109.6°
N1C2HC2106.3°108.8°
C2N1HN1114.5°120.0°
C20C21C22117.5°119.7°
C20C21HC21121.2°120.2°
C22C21HC21121.3°120.1°
C21C22HC22118.5°119.5°
C3C4C5118.1°108.5°
C4C3H31107.5°108.9°
C4C3H32107.5°108.9°
C3C4H41107.2°109.7°
C3C4H42107.3°109.6°
C4C5C6119.7°112.5°
C5C4H41107.3°109.6°
C5C4H42107.3°109.6°
C4C5H51106.9°108.9°
C4C5H52106.9°108.9°
C5C6C7113.9°112.8°
C6C5H51106.9°108.9°
C6C5H52106.9°108.9°
C5C6H62108.3°108.8°
C5C6H61108.4°108.8°
C6C7C8115.9°112.5°
C7C6H62108.4°108.8°
C7C6H61108.3°108.8°
C6C7H72107.9°108.9°
C6C7H71107.8°108.9°
C8C7H72107.8°108.9°
C8C7H71107.8°108.8°
C7C8H82107.3°109.7°
C7C8H81107.3°109.6°
O2C9H92110.7°109.4°
O2C9H91110.7°109.5°
H31C3H32109.5°108.8°
H41C4H42109.5°109.8°
H51C5H52109.5°108.8°
H62C6H61109.5°108.7°
H72C7H71109.5°108.8°
H82C8H81109.5°109.8°
H92C9H91109.4°109.5°
H151C15H152109.5°109.5°
H161C16H162109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C9C1N1O1179.3°179.7°
C1C9O2C1061.7°180.0°
C9C1N1C2177.8°180.0°
C1C9O2H92119.2°120.0°
C1C9O2H91119.2°120.1°
C1C9H92H91122.3°120.1°
C9C1N1HN12.3°0.0°
C1N1C2C342.9°155.0°
C1N1C2C887.4°82.2°
C1N1C2HN1180.0°180.0°
N1C1C9O2128.4°179.9°
C1N1C2HC2159.2°36.4°
N1C1C9H929.2°60.0°
N1C1C9H91112.3°60.0°
O1C1N1C23.0°0.3°
O1C1C9O252.2°0.2°
O1C1C9H92171.4°119.7°
O1C1C9H9167.0°120.3°
O1C1N1HN1177.0°179.7°
C11C10C22O2178.6°179.7°
C10C11C12HC11180.0°180.0°
C10C11C12C13180.0°179.9°
C10C11C12C200.1°0.0°
C11C10C22C210.6°0.0°
C11C10O2C95.1°179.9°
C11C10C22HC22179.4°180.0°
C22C10C11C120.4°0.0°
C10C22C21C200.3°0.0°
C10C22C21HC22180.0°180.0°
C22C10O2C9176.3°0.3°
C22C10C11HC11179.6°180.0°
C10C22C21HC21179.7°180.0°
O2C10C11C12178.9°179.7°
O2C10C22C21179.2°179.7°
C10O2C9H9257.5°60.1°
C10O2C9H91179.1°59.9°
O2C10C11HC111.1°0.3°
O2C10C22HC220.8°0.3°
C11C12C13C20179.9°179.9°
C11C12C13C14179.9°180.0°
C11C12C20C19180.0°180.0°
C11C12C20C210.4°0.0°
C11C12C13HC130.1°0.1°
C12C13C14HC13180.0°179.9°
C12C13C14C15179.9°180.0°
C12C13C14C180.3°0.1°
C13C12C20C190.1°0.1°
C13C12C20C21179.7°180.0°
C13C12C11HC110.0°0.1°
C20C12C13C140.2°0.1°
C12C20C19C180.4°0.1°
C12C20C19C21179.5°180.0°
C12C20C21C220.3°0.0°
C20C12C11HC11179.9°180.0°
C20C12C13HC13179.8°180.0°
C12C20C19HC19179.6°180.0°
C12C20C21HC21179.8°179.9°
C13C14C15C18179.7°179.9°
C13C14C15C16140.0°90.0°
C13C14C18C190.8°0.1°
C13C14C15H15118.3°150.0°
C13C14C15H15298.4°30.0°
C13C14C18HC18179.1°180.0°
C14C15C16H151121.7°120.0°
C14C15C16H152121.6°120.0°
C14C15C16C17134.2°180.0°
C15C14C18C19179.4°180.0°
C15C14C13HC130.0°0.1°
C14C15H151H152114.7°120.0°
C14C15C16H16114.3°60.0°
C14C15C16H162105.8°60.0°
C15C14C18HC180.6°0.1°
C18C14C15C1640.3°89.9°
C14C18C19HC18180.0°179.9°
C14C18C19C200.9°0.1°
C18C14C13HC13179.7°180.0°
C18C14C15H151161.9°30.0°
C18C14C15H15281.3°150.0°
C14C18C19HC19179.1°180.0°
C15C16C17H161119.9°119.9°
C15C16C17H162119.9°120.0°
C15C16C17O339.8°180.0°
C15C16C17O4140.8°0.0°
C16C15H151H152114.7°120.0°
C15C16H161H162120.1°120.0°
C16C17O3O4179.5°180.0°
C17C16C15H151104.1°60.0°
C17C16C15H15212.6°60.0°
C17C16H161H162120.2°120.1°
C16C17O3H1179.5°180.0°
O3C17C16H161159.7°60.0°
O3C17C16H16280.1°60.0°
O4C17C16H16120.8°120.0°
O4C17C16H16299.3°120.0°
O4C17O3H10.0°0.0°
C18C19C20HC19180.0°179.9°
C18C19C20C21179.1°179.9°
C19C20C21C22179.8°180.0°
C20C19C18HC18179.0°180.0°
C19C20C21HC210.2°0.0°
C3C2C8N1130.4°120.7°
C3C2C8HC2115.7°120.8°
C3C2N1HC2116.3°118.6°
C2C3C4H31121.1°120.7°
C2C3C4H32121.1°120.8°
C2C3C4C558.8°80.0°
C3C2C8C774.0°80.0°
C2C3H31H32116.5°118.6°
C2C3C4H41180.0°39.7°
C2C3C4H4262.4°160.3°
C3C2C8H8247.2°39.7°
C3C2C8H81164.8°160.3°
C3C2N1HN1137.2°25.0°
C8C2N1HC2113.4°118.6°
C8C2C3C410.4°62.0°
C2C8C7C628.9°94.2°
C2C8C7H82121.2°119.7°
C2C8C7H81121.2°119.7°
C8C2C3H31131.5°177.3°
C8C2C3H32110.7°58.7°
C2C8C7H7292.0°26.6°
C2C8C7H71149.9°145.1°
C2C8H82H81116.1°120.5°
C8C2N1HN192.6°97.9°
N1C2C3C4137.9°177.3°
N1C2C8C7155.6°159.3°
N1C2C3H31101.0°56.6°
N1C2C3H3216.8°62.0°
N1C2C8H8283.2°81.0°
N1C2C8H8134.4°39.6°
C20C21C22HC21180.0°180.0°
C21C20C19HC190.9°0.0°
C20C21C22HC22179.8°180.0°
C3C4C5H41121.2°119.7°
C3C4C5H42121.2°119.7°
C3C4C5C630.2°94.2°
C4C3C2HC2105.3°58.8°
C4C3H31H32116.4°118.5°
C3C4H41H42116.1°120.5°
C3C4C5H5191.3°145.1°
C3C4C5H52151.6°26.6°
C4C5C6H51121.4°120.8°
C4C5C6H52121.4°120.8°
C4C5C6C752.5°41.7°
C5C4C3H3162.3°159.3°
C5C4C3H32179.9°40.8°
C5C4H41H42116.1°120.4°
C4C5H51H52115.4°118.5°
C4C5C6H6268.2°79.2°
C4C5C6H61173.2°162.6°
C5C6C7H62120.6°120.9°
C5C6C7H61120.7°120.8°
C5C6C7C855.1°41.7°
C6C5C4H41151.4°25.6°
C6C5C4H4291.1°146.1°
C6C5H51H52115.4°118.5°
C5C6H62H61118.0°118.3°
C5C6C7H72176.0°79.1°
C5C6C7H7165.8°162.4°
C6C7C8H72121.0°120.8°
C6C7C8H71120.9°120.7°
C7C6C5H51174.0°162.5°
C7C6C5H5268.9°79.1°
C7C6H62H61118.0°118.4°
C6C7H72H71117.1°118.5°
C6C7C8H8292.3°25.5°
C6C7C8H81150.2°146.2°
C7C8C2HC241.7°40.7°
C8C7C6H6265.5°162.6°
C8C7C6H61175.8°79.1°
C8C7H72H71117.1°118.5°
C7C8H82H81116.1°120.5°
O2C9H92H91122.3°120.0°
HC2C2C3H3115.8°61.9°
HC2C2C3H32133.6°179.5°
HC2C2C8H82162.9°160.5°
HC2C2C8H8179.6°79.0°
HC2C2N1HN120.8°143.5°
H31C3C4H4158.9°81.0°
H31C3C4H42176.4°39.6°
H32C3C4H4158.8°160.5°
H32C3C4H4258.7°78.9°
H41C4C5H5129.9°95.2°
H41C4C5H5287.2°146.4°
H42C4C5H51147.5°25.4°
H42C4C5H5230.3°93.1°
H51C5C6H6253.3°41.7°
H51C5C6H6165.4°76.6°
H52C5C6H62170.4°160.1°
H52C5C6H6151.7°41.8°
H62C6C7H7255.4°41.8°
H62C6C7H71173.6°76.7°
H61C6C7H7263.3°160.1°
H61C6C7H7154.9°41.6°
H72C7C8H82146.8°146.4°
H72C7C8H8129.2°93.0°
H71C7C8H8228.7°95.2°
H71C7C8H8188.9°25.4°
H151C15C16H161136.0°180.0°
H151C15C16H16215.8°60.0°
H152C15C16H161107.3°60.0°
H152C15C16H162132.5°180.0°
HC18C18C19HC191.0°0.1°
HC21C21C22HC220.3°0.1°

250059

PDB entries from 2026-03-04

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