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LA3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C1doub1.38Å1.38ÅAromatic
C3C1sing1.39Å1.38ÅAromatic
C1H1sing1.08Å1.08Å
C2C5doub1.38Å1.38ÅAromatic
C2C6sing1.38Å1.38ÅAromatic
C2H2sing1.08Å1.08Å
C6C3doub1.39Å1.38ÅAromatic
C3C7sing1.48Å1.46ÅAromatic
C5C4sing1.38Å1.38ÅAromatic
C4H4sing1.08Å1.08Å
C8C5sing1.51Å1.50Å
C6H6sing1.08Å1.08Å
C10C7doub1.39Å1.38ÅAromatic
C7C11sing1.39Å1.39ÅAromatic
C17C8sing1.53Å1.52Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C13C9doub1.39Å1.36ÅAromatic
C9C12sing1.39Å1.37ÅAromatic
C9O15sing1.37Å1.37Å
C10C13sing1.38Å1.38ÅAromatic
C10H10sing1.08Å1.08Å
C11C12doub1.38Å1.38ÅAromatic
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C13O14sing1.36Å1.38Å
O14C16sing1.44Å1.44Å
C16O15sing1.44Å1.44Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C18C17sing1.51Å1.50Å
C19C17sing1.53Å1.52Å
C17H17sing1.09Å1.10Å
O24C18doub1.21Å1.23Å
C18N25sing1.35Å1.38Å
C19C20sing1.51Å1.49Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
N22C20sing1.35Å1.38Å
C20O21doub1.21Å1.22Å
N22O23sing1.42Å1.40Å
N22HN22sing0.97Å1.00Å
O23HO23sing0.97Å0.95Å
C26N25sing1.47Å1.45Å
N25HN25sing0.97Å1.00Å
C27C26sing1.51Å1.49Å
C26C28sing1.54Å1.52Å
C26H26sing1.09Å1.10Å
C33C27doub1.38Å1.37ÅAromatic
C32C27sing1.39Å1.38ÅAromatic
C30C28sing1.54Å1.53Å
C28O29sing1.43Å1.41Å
C28H28sing1.09Å1.10Å
O29HO29sing0.97Å0.95Å
C33C30sing1.51Å1.48Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C31C34doub1.38Å1.38ÅAromatic
C31C35sing1.38Å1.38ÅAromatic
C31H31sing1.08Å1.08Å
C35C32doub1.38Å1.39ÅAromatic
C32H32sing1.08Å1.08Å
C34C33sing1.38Å1.38ÅAromatic
C34H34sing1.08Å1.08Å
C35H35sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C1C3121.8°119.8°
C4C1H1119.1°120.1°
C1C4C5120.6°120.1°
C1C4H4119.7°119.9°
C3C1H1119.1°120.1°
C1C3C6117.3°119.8°
C1C3C7120.9°120.1°
C5C2C6121.6°120.1°
C5C2H2119.2°119.9°
C2C5C4117.8°120.3°
C2C5C8119.1°119.9°
C6C2H2119.2°120.0°
C2C6C3120.9°119.9°
C2C6H6119.5°120.1°
C6C3C7121.7°120.1°
C3C6H6119.6°120.0°
C3C7C10121.1°120.1°
C3C7C11120.3°120.0°
C5C4H4119.7°120.0°
C4C5C8123.1°119.9°
C5C8C17115.3°109.5°
C5C8H8107.6°109.5°
C5C8H8A107.6°109.5°
C10C7C11118.6°119.9°
C7C10C13117.9°119.9°
C7C10H10121.1°120.1°
C7C11C12123.5°120.0°
C7C11H11118.3°120.0°
C17C8H8107.6°109.5°
C17C8H8A107.6°109.5°
C8C17C18108.6°109.5°
C8C17C19109.7°109.4°
C8C17H17108.3°109.5°
H8C8H8A111.3°109.5°
C13C9C12121.5°120.1°
C13C9O15112.5°108.6°
C9C13C10122.3°119.9°
C9C13O14111.7°108.6°
C12C9O15126.0°131.4°
C9C12C11116.3°120.2°
C9C12H12121.9°119.9°
C9O15C16100.7°105.5°
C13C10H10121.1°120.0°
C10C13O14126.0°131.5°
C12C11H11118.3°120.0°
C11C12H12121.9°119.9°
C13O14C16100.6°105.5°
O14C16O15112.8°103.7°
O14C16H16108.4°110.6°
O14C16H16A108.4°110.6°
O15C16H16108.4°110.5°
O15C16H16A108.4°110.6°
H16C16H16A110.5°110.6°
C18C17C19104.0°109.5°
C18C17H17113.6°109.5°
C17C18O24121.2°120.0°
C17C18N25114.7°119.9°
C19C17H17112.6°109.5°
C17C19C20110.7°109.5°
C17C19H19109.1°109.4°
C17C19H19A109.1°109.4°
O24C18N25124.0°120.1°
C18N25C26113.8°119.9°
C18N25HN25123.1°120.1°
C20C19H19109.1°109.5°
C20C19H19A109.1°109.5°
C19C20N22111.6°120.0°
C19C20O21123.6°120.0°
H19C19H19A109.9°109.5°
N22C20O21124.8°120.0°
C20N22O23109.7°120.0°
C20N22HN22125.2°120.0°
O23N22HN22125.1°119.9°
N22O23HO23109.5°114.0°
C26N25HN25123.1°120.0°
N25C26C27118.1°110.3°
N25C26C28118.0°110.3°
N25C26H2694.3°110.3°
C27C26C28103.9°105.2°
C27C26H26111.2°110.4°
C26C27C33111.5°109.8°
C26C27C32127.8°130.4°
C28C26H26111.3°110.3°
C26C28C30108.7°102.4°
C26C28O29109.1°110.8°
C26C28H28109.8°110.8°
C33C27C32120.7°119.8°
C27C33C30112.5°109.7°
C27C33C34120.8°119.9°
C27C32C35118.8°120.2°
C27C32H32120.6°119.9°
C30C28O29108.1°110.8°
C30C28H28110.8°111.0°
C28C30C33103.2°105.2°
C28C30H30111.6°110.2°
C28C30H30A111.6°110.3°
O29C28H28110.3°110.8°
C28O29HO29109.5°114.0°
C33C30H30111.6°110.3°
C33C30H30A111.6°110.4°
C30C33C34126.8°130.4°
H30C30H30A107.2°110.3°
C34C31C35119.9°120.0°
C34C31H31120.0°120.0°
C31C34C33119.1°120.2°
C31C34H34120.5°119.9°
C35C31H31120.0°120.0°
C31C35C32120.7°119.9°
C31C35H35119.6°120.1°
C35C32H32120.6°119.9°
C32C35H35119.6°120.1°
C33C34H34120.4°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C1C3H1180.0°179.7°
C1C4C5C20.9°0.0°
C4C1C3C60.3°0.3°
C4C1C3C7179.5°179.7°
C1C4C5H4180.0°180.0°
C1C4C5C8179.6°179.7°
C1C3C6C20.5°0.1°
C1C3C6C7179.3°179.9°
C3C1C4C51.0°0.3°
C3C1C4H4179.0°179.7°
C1C3C6H6179.5°179.7°
C1C3C7C10179.3°179.7°
C1C3C7C110.3°0.0°
H1C1C3C6179.7°180.0°
H1C1C3C70.4°0.1°
H1C1C4C5179.0°180.0°
H1C1C4H41.0°0.0°
C5C2C6H2180.0°179.7°
C5C2C6C30.5°0.2°
C2C5C4C8178.7°179.7°
C2C5C4H4179.0°180.0°
C5C2C6H6179.5°180.0°
C2C5C8C17150.8°88.3°
C2C5C8H830.8°151.7°
C2C5C8H8A89.2°31.7°
C2C6C3H6180.0°179.7°
C2C6C3C7178.8°180.0°
C6C2C5C40.2°0.3°
C6C2C5C8179.0°180.0°
H2C2C6C3179.5°179.9°
H2C2C5C4179.8°180.0°
H2C2C5C81.0°0.3°
H2C2C6H60.5°0.3°
C6C3C7C100.1°0.2°
C6C3C7C11179.5°179.9°
C7C3C6H61.2°0.3°
C3C7C10C11179.6°179.7°
C3C7C10C13179.6°180.0°
C3C7C10H100.4°0.0°
C3C7C11C12179.8°180.0°
C3C7C11H110.2°0.0°
C4C5C8C1730.6°92.0°
C4C5C8H8150.6°28.0°
C4C5C8H8A89.5°148.0°
H4C4C5C80.4°0.3°
C5C8C17H8120.0°120.0°
C5C8C17H8A120.0°120.0°
C5C8H8H8A117.6°120.0°
C5C8C17C1895.3°64.9°
C5C8C17C19151.6°175.2°
C5C8C17H1728.4°55.2°
C7C10C13C90.1°0.1°
C7C10C13H10180.0°180.0°
C10C7C11C120.2°0.3°
C10C7C11H11179.8°179.7°
C7C10C13O14179.9°179.9°
C7C11C12C90.3°0.0°
C11C7C10C130.0°0.3°
C11C7C10H10180.0°179.7°
C7C11C12H11180.0°180.0°
C7C11C12H12179.6°179.7°
C17C8H8H8A117.6°120.0°
C8C17C18C19116.8°120.0°
C8C17C18H17120.5°120.0°
C8C17C19H17120.6°120.0°
C8C17C18O2459.5°56.1°
C8C17C18N25121.7°123.9°
C8C17C19C2065.6°66.6°
C8C17C19H19174.4°173.4°
C8C17C19H19A54.4°53.4°
H8C8C17C1824.7°55.1°
H8C8C17C1988.4°64.9°
H8C8C17H17148.4°175.2°
H8AC8C17C18144.7°175.1°
H8AC8C17C1931.6°55.2°
H8AC8C17H1791.6°64.8°
C13C9C12O15179.9°179.7°
C9C13C10O14180.0°179.9°
C9C13C10H10179.9°180.0°
C13C9C12C110.2°0.2°
C13C9C12H12179.7°179.9°
C9C13O14C167.6°17.3°
C13C9O15C167.7°17.4°
C12C9C13C100.0°0.2°
C9C12C11H12180.0°179.7°
C9C12C11H11179.7°180.0°
C12C9C13O14180.0°179.7°
C12C9O15C16172.4°162.3°
O15C9C13C10179.9°180.0°
O15C9C12C11179.9°180.0°
O15C9C12H120.2°0.3°
O15C9C13O140.1°0.1°
C9O15C16O1412.9°27.3°
C9O15C16H16132.9°145.8°
C9O15C16H16A107.1°91.4°
C10C13O14C16172.4°162.6°
H10C10C13O140.1°0.1°
H11C11C12H120.3°0.3°
C13O14C16O1512.9°27.2°
C13O14C16H16132.9°145.7°
C13O14C16H16A107.2°91.5°
O14C16O15H16120.0°118.6°
O14C16O15H16A120.0°118.6°
O14C16H16H16A118.6°122.9°
O15C16H16H16A118.6°122.8°
C18C17C19H17123.4°120.0°
C17C18O24N25178.7°179.9°
C18C17C19C20178.4°173.4°
C18C17C19H1958.4°53.4°
C18C17C19H19A61.6°66.5°
C17C18N25C26173.4°180.0°
C17C18N25HN256.6°0.0°
C19C17C18O2457.3°63.9°
C19C17C18N25121.5°116.2°
C17C19C20H19120.0°119.9°
C17C19C20H19A120.0°120.0°
C17C19H19H19A119.5°119.9°
C17C19C20N22115.1°173.8°
C17C19C20O2165.5°6.3°
H17C17C18O24180.0°176.1°
H17C17C18N251.2°3.8°
H17C17C19C2055.1°53.4°
H17C17C19H1964.9°66.6°
H17C17C19H19A175.1°173.4°
O24C18N25C265.3°0.1°
O24C18N25HN25174.6°180.0°
C18N25C26HN25180.0°180.0°
C18N25C26C27103.0°89.3°
C18N25C26C28130.8°155.0°
C18N25C26H2613.9°32.9°
C20C19H19H19A119.5°120.1°
C19C20N22O21179.4°180.0°
C19C20N22O23159.3°180.0°
C19C20N22HN2220.7°0.0°
H19C19C20N22124.9°66.3°
H19C19C20O2154.5°113.7°
H19AC19C20N224.9°53.8°
H19AC19C20O21174.5°126.2°
C20N22O23HN22180.0°180.0°
C20N22O23HO239.2°180.0°
O21C20N22O2321.3°0.0°
O21C20N22HN22158.7°180.0°
HN22N22O23HO23170.9°0.0°
N25C26C27C28132.8°118.9°
N25C26C27H26107.4°122.2°
N25C26C28H26107.4°122.1°
N25C26C27C33136.7°136.1°
N25C26C27C3245.2°43.9°
N25C26C28C30138.1°145.3°
N25C26C28O2920.3°27.1°
N25C26C28H28100.7°96.3°
HN25N25C26C2777.0°90.7°
HN25N25C26C2849.2°25.0°
HN25N25C26H26166.1°147.1°
C27C26C28H26119.8°119.0°
C26C27C33C32178.3°180.0°
C27C26C28C305.2°26.4°
C27C26C28O29112.5°91.8°
C27C26C28H28126.5°144.8°
C26C27C33C301.0°0.0°
C26C27C32C35178.2°180.0°
C26C27C32H321.8°0.0°
C26C27C33C34178.8°179.9°
C28C26C27C333.9°17.2°
C28C26C27C32178.0°162.8°
C26C28C30O29118.4°118.2°
C26C28C30H28120.7°118.3°
C26C28O29H28120.7°123.4°
C26C28O29HO29180.0°180.0°
C26C28C30C334.6°26.4°
C26C28C30H30124.7°145.3°
C26C28C30H30A115.4°92.7°
H26C26C27C33115.9°101.8°
H26C26C27C3262.2°78.2°
H26C26C28C30114.5°92.7°
H26C26C28O29127.7°149.1°
H26C26C28H286.7°25.7°
C27C33C30C282.3°17.2°
C27C33C30C34179.9°179.9°
C27C33C30H30122.3°136.1°
C27C33C30H30A117.7°101.8°
C27C33C34C310.7°0.1°
C33C27C32C350.2°0.0°
C33C27C32H32179.8°180.0°
C27C33C34H34179.3°180.0°
C32C27C33C30179.3°180.0°
C27C32C35C310.0°0.0°
C27C32C35H32180.0°180.0°
C32C27C33C340.6°0.1°
C27C32C35H35180.0°180.0°
C30C28O29H28121.3°123.6°
C30C28O29HO2961.9°67.1°
C28C30C33H30120.0°118.8°
C28C30C33H30A120.0°119.0°
C28C30H30H30A122.5°122.1°
C28C30C33C34177.8°162.9°
O29C28C30C33113.7°91.8°
O29C28C30H306.3°27.0°
O29C28C30H30A126.3°149.1°
H28C28O29HO2959.3°56.6°
H28C28C30C33125.3°144.7°
H28C28C30H30114.7°96.5°
H28C28C30H30A5.3°25.6°
C33C30H30H30A122.5°122.2°
C30C33C34C31179.2°180.0°
C30C33C34H340.8°0.1°
H30C30C33C3457.8°44.0°
H30AC30C33C3462.1°78.1°
C34C31C35H31180.0°179.9°
C34C31C35C320.1°0.0°
C31C34C33H34180.0°179.9°
C34C31C35H35180.0°180.0°
C31C35C32H35180.0°180.0°
C31C35C32H32180.0°180.0°
C35C31C34C330.4°0.0°
C35C31C34H34179.6°180.0°
H31C31C35C32179.9°179.9°
H31C31C34C33179.6°179.9°
H31C31C34H340.4°0.1°
H31C31C35H350.0°0.1°
H32C32C35H350.1°0.0°

223790

PDB entries from 2024-08-14

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