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098

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5C3sing1.51Å1.51Å
C5N6sing1.47Å1.46Å
C5C11sing1.53Å1.51Å
C7C8sing1.53Å1.48Å
C7N6sing1.47Å1.44Å
C8C10sing1.53Å1.50Å
C8C9sing1.53Å1.50Å
C10C9sing1.53Å1.50Å
C13C12sing1.51Å1.49Å
C13C14doub1.38Å1.37ÅAromatic
C13C19sing1.38Å1.38ÅAromatic
C15C14sing1.38Å1.38ÅAromatic
C15C16doub1.38Å1.38ÅAromatic
C17C16sing1.39Å1.37ÅAromatic
C17O18sing1.36Å1.37Å
C17C19doub1.39Å1.37ÅAromatic
C20C11sing1.51Å1.49Å
C20O21doub1.21Å1.22Å
C20N22sing1.35Å1.38Å
C24C26sing1.54Å1.52Å
C24C23sing1.54Å1.52Å
C24O25sing1.43Å1.43Å
C26C27sing1.51Å1.48Å
C28C27doub1.38Å1.38ÅAromatic
C28C29sing1.38Å1.38ÅAromatic
O1N2sing1.42Å1.41Å
N2C3sing1.35Å1.37Å
C3O4doub1.21Å1.23Å
C11C12sing1.53Å1.51Å
N22C23sing1.47Å1.44Å
C23C32sing1.51Å1.48Å
C27C32sing1.38Å1.36ÅAromatic
C29C30doub1.38Å1.38ÅAromatic
C30C31sing1.38Å1.38ÅAromatic
C31C32doub1.38Å1.37ÅAromatic
C5H5sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C15H15sing1.08Å1.08Å
C24H24sing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C28H28sing1.08Å1.08Å
O1HO1sing0.97Å0.95Å
N2HN2sing0.97Å1.00Å
N6HN6sing1.01Å1.00Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C14H14sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
O18HO18sing0.97Å0.95Å
C19H19sing1.08Å1.08Å
N22HN22sing0.97Å1.00Å
C23H23sing1.09Å1.10Å
O25HO25sing0.97Å0.95Å
C29H29sing1.08Å1.08Å
C30H30sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C5N6109.9°109.5°
C3C5C11109.0°109.5°
C5C3N2109.9°120.0°
C5C3O4125.4°120.0°
C3C5H5108.8°109.4°
N6C5C11107.1°109.5°
C5N6C7110.9°111.0°
N6C5H5110.6°109.5°
C5N6HN6109.0°111.0°
C5C11C20105.0°109.5°
C5C11C12110.7°109.5°
C11C5H5111.4°109.5°
C5C11H11111.2°109.4°
C8C7N6107.4°109.5°
C7C8C10118.4°117.5°
C7C8C9118.7°117.5°
C8C7H7110.1°109.5°
C8C7H7A110.6°109.4°
C7C8H891.8°115.5°
N6C7H7110.2°109.5°
N6C7H7A110.6°109.5°
C7N6HN6109.0°111.0°
C10C8C960.1°60.0°
C8C10C960.0°60.0°
C10C8H8135.1°117.5°
C8C10H10130.9°117.5°
C8C10H10A136.0°117.5°
C8C9C1059.9°60.0°
C9C8H8134.9°117.5°
C8C9H9130.9°117.5°
C8C9H9A136.0°117.5°
C9C10H10130.9°117.5°
C9C10H10A136.0°117.5°
C10C9H9130.9°117.5°
C10C9H9A136.1°117.5°
C12C13C14119.1°120.0°
C12C13C19121.6°120.0°
C13C12C11113.7°109.5°
C13C12H12108.1°109.4°
C13C12H12A107.1°109.5°
C14C13C19119.4°120.0°
C13C14C15120.9°120.1°
C13C14H14119.6°119.9°
C13C19C17119.0°120.0°
C13C19H19120.5°120.0°
C14C15C16120.0°120.0°
C14C15H15120.0°120.0°
C15C14H14119.6°120.0°
C15C16C17118.4°119.9°
C16C15H15120.0°120.0°
C15C16H16120.8°120.0°
C16C17O18118.5°120.1°
C16C17C19122.3°119.9°
C17C16H16120.8°120.0°
O18C17C19119.2°120.0°
C17O18HO18109.5°114.0°
C17C19H19120.5°120.0°
C11C20O21121.5°120.0°
C11C20N22113.4°120.0°
C20C11C12108.2°109.5°
C20C11H11113.6°109.5°
O21C20N22125.1°120.0°
C20N22C23116.9°120.0°
C20N22HN22121.6°120.0°
C26C24C23107.9°102.4°
C26C24O25109.7°110.8°
C24C26C27102.9°105.2°
C26C24H24110.7°110.8°
C24C26H26111.8°110.3°
C24C26H26A113.1°110.3°
C23C24O25110.3°110.8°
C24C23N22113.5°110.3°
C24C23C32103.4°105.2°
C23C24H24110.0°110.9°
C24C23H23113.3°110.3°
O25C24H24108.2°110.9°
C24O25HO25109.5°114.1°
C26C27C28126.6°130.4°
C26C27C32112.2°109.7°
C27C26H26111.8°110.3°
C27C26H26A113.1°110.3°
C27C28C29117.9°120.2°
C28C27C32121.2°119.9°
C27C28H28121.1°119.9°
C28C29C30121.0°120.0°
C29C28H28121.1°119.9°
C28C29H29119.5°120.0°
O1N2C3111.7°120.0°
N2O1HO1109.5°114.0°
O1N2HN2124.2°120.0°
N2C3O4124.8°120.0°
C3N2HN2124.2°120.0°
C12C11H11108.2°109.5°
C11C12H12108.1°109.5°
C11C12H12A107.1°109.5°
N22C23C32115.6°110.3°
C23N22HN22121.5°120.0°
N22C23H23100.4°110.3°
C23C32C27111.2°109.7°
C23C32C31127.4°130.4°
C32C23H23111.0°110.3°
C27C32C31121.4°119.8°
C29C30C31120.4°119.9°
C30C29H29119.5°120.0°
C29C30H30119.8°120.1°
C30C31C32118.2°120.2°
C31C30H30119.8°120.0°
C30C31H31120.9°119.9°
C32C31H31120.9°119.9°
H7C7H7A107.9°109.4°
H10C10H10A74.8°115.5°
H26C26H26A104.5°110.3°
H9C9H9A74.7°115.5°
H12C12H12A112.9°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C5N6C11118.3°120.0°
C3C5N6H5120.1°120.0°
C3C5C11H5120.0°120.0°
C3C5N6C759.2°85.0°
C3C5C11C20173.5°65.8°
C5C3N2O1165.8°174.2°
C5C3N2O4179.1°180.0°
C3C5C11C1257.0°54.2°
C5C3N2HN214.2°5.8°
C3C5N6HN660.8°38.9°
C3C5C11H1163.2°174.2°
N6C5C11H5121.1°120.0°
C5N6C7C8168.7°180.0°
C5N6C7HN6120.0°123.9°
N6C5C11C2067.6°174.2°
N6C5C3N2122.9°155.5°
N6C5C3O458.0°24.5°
N6C5C11C12175.9°65.8°
C5N6C7H748.7°60.0°
C5N6C7H7A70.5°60.0°
N6C5C11H1155.6°54.2°
C11C5N6C7177.6°155.1°
C5C11C12C13168.3°173.7°
C5C11C20C12118.3°120.0°
C5C11C20H11121.6°120.0°
C5C11C20O2153.0°83.7°
C5C11C20N22126.4°96.4°
C11C5C3N2119.9°84.5°
C11C5C3O459.2°95.5°
C5C11C12H11122.0°119.9°
C11C5N6HN657.6°81.1°
C5C11C12H1271.8°66.4°
C5C11C12H12A50.1°53.6°
C8C7N6H7120.0°120.0°
C8C7N6H7A120.8°120.0°
C7C8C10C9108.6°107.5°
C7C8C10H8126.3°145.0°
C7C8C9H8126.5°145.0°
C8C7H7H7A120.8°119.9°
C7C8C10H10131.5°145.1°
C7C8C10H10A18.2°0.0°
C8C7N6HN648.7°56.1°
C7C8C9H911.9°0.0°
C7C8C9H9A125.2°145.0°
N6C7C8C10143.8°175.0°
N6C7C8C974.3°116.4°
C7N6C5H560.8°35.0°
N6C7H7H7A120.8°120.0°
N6C7C8H870.9°29.3°
C10C8C9H8125.4°107.5°
C8C10C9H10120.0°107.5°
C8C10C9H10A126.7°107.5°
C10C8C7H723.8°65.0°
C10C8C7H7A95.4°55.0°
C8C10H10H10A138.6°145.7°
C10C8C9H9120.0°107.5°
C10C8C9H9A126.7°107.5°
C9C8C7H745.7°3.6°
C9C8C7H7A164.9°123.6°
C8C9H9H9A138.6°145.6°
C9C10H10H10A138.6°145.7°
C10C9H9H9A138.6°145.7°
C12C13C14C19179.6°179.7°
C12C13C14C15179.4°180.0°
C12C13C19C17179.3°180.0°
C13C12C11C2077.2°66.3°
C13C12C11H12120.0°120.0°
C13C12C11H12A118.1°120.0°
C13C12C11H1146.2°53.7°
C13C12H12H12A118.3°120.0°
C12C13C14H140.6°0.0°
C12C13C19H190.7°0.0°
C13C14C15H14180.0°180.0°
C13C14C15C160.3°0.1°
C14C13C19C170.3°0.3°
C14C13C12C11127.3°86.7°
C13C14C15H15179.7°180.0°
C14C13C12H127.3°153.3°
C14C13C12H12A114.6°33.3°
C14C13C19H19179.7°179.7°
C19C13C14C150.1°0.2°
C13C19C17C160.0°0.0°
C13C19C17O18179.5°179.7°
C13C19C17H19180.0°180.0°
C19C13C12C1153.1°93.6°
C19C13C12H12173.1°26.4°
C19C13C12H12A65.0°146.4°
C19C13C14H14179.9°179.8°
C14C15C16H15180.0°179.9°
C14C15C16C170.6°0.3°
C14C15C16H16179.5°180.0°
C15C16C17H16180.0°179.7°
C15C16C17O18179.9°180.0°
C15C16C17C190.4°0.3°
C16C15C14H14179.7°179.9°
C16C17O18C19179.5°179.7°
C17C16C15H15179.4°179.7°
C16C17O18HO18150.7°90.0°
C16C17C19H19180.0°180.0°
O18C17C16H160.1°0.3°
O18C17C19H190.5°0.3°
C19C17C16H16179.6°180.0°
C19C17O18HO1829.8°90.3°
C11C20O21N22179.3°180.0°
C20C11C12H11123.4°120.1°
C11C20N22C23170.4°175.4°
C20C11C5H553.5°54.2°
C20C11C12H1242.8°53.6°
C20C11C12H12A164.7°173.7°
C11C20N22HN229.6°4.7°
O21C20C11C1265.3°36.4°
O21C20N22C2310.3°4.6°
O21C20C11H11174.6°156.4°
O21C20N22HN22169.7°175.3°
C20N22C23C24100.4°131.6°
N22C20C11C12115.3°143.6°
C20N22C23HN22180.0°179.9°
C20N22C23C32140.3°112.7°
N22C20C11H114.8°23.6°
C20N22C23H2320.8°9.4°
C26C24C23O25119.8°118.2°
C26C24C23H24120.9°118.2°
C26C24O25H24120.9°123.5°
C24C26C27H26120.0°118.9°
C24C26C27H26A122.4°119.0°
C24C26C27C28170.2°162.8°
C26C24C23N22141.4°145.3°
C26C24C23C3215.3°26.4°
C24C26C27C328.9°17.2°
C24C26H26H26A122.7°122.1°
C26C24C23H23104.9°92.7°
C26C24O25HO25116.9°56.8°
C23C24O25H24120.4°123.6°
C23C24C26C2714.8°26.3°
C24C23N22C32119.3°115.8°
C24C23N22H23121.2°122.1°
C24C23C32H23121.8°119.0°
C24C23C32C2710.1°17.2°
C24C23C32C31170.6°162.8°
C23C24C26H26134.8°145.3°
C23C24C26H26A107.6°92.6°
C24C23N22HN2279.6°48.4°
C23C24O25HO25124.5°169.7°
O25C24C26C27105.4°91.8°
O25C24C23N2221.6°27.1°
O25C24C23C32104.4°91.8°
O25C24C26H2614.7°27.1°
O25C24C26H26A132.2°149.2°
O25C24C23H23135.3°149.2°
C26C27C28C32179.0°180.0°
C26C27C28C29179.5°180.0°
C26C27C32C230.8°0.0°
C26C27C32C31179.9°180.0°
C27C26C24H24135.3°144.6°
C27C26H26H26A122.7°122.1°
C26C27C28H280.5°0.0°
C27C28C29H28180.0°180.0°
C28C27C32C23179.9°180.0°
C27C28C29C300.1°0.0°
C28C27C32C310.7°0.0°
C28C27C26H2650.2°43.9°
C28C27C26H26A67.4°78.2°
C27C28C29H29180.0°179.9°
C29C28C27C320.5°0.0°
C28C29C30H29180.0°179.9°
C28C29C30C310.4°0.0°
C28C29C30H30179.7°180.0°
O1N2C3HN2180.0°180.0°
O1N2C3O413.3°5.8°
N2C3C5H51.7°35.5°
C3N2O1HO1133.5°180.0°
O4C3C5H5179.2°144.5°
O4C3N2HN2166.7°174.2°
C12C11C5H563.0°174.2°
C11C12H12H12A118.3°120.1°
N22C23C32H23113.5°122.0°
N22C23C32C27134.8°136.2°
N22C23C32C3145.9°43.8°
N22C23C24H2497.7°96.5°
C23C32C27C31179.3°180.0°
C23C32C31C30179.6°180.0°
C32C23C24H24136.2°144.5°
C32C23N22HN2239.7°67.4°
C23C32C31H310.4°0.1°
C27C32C31C300.4°0.0°
C32C27C26H26128.9°136.1°
C32C27C26H26A113.6°101.8°
C32C27C28H28179.5°180.0°
C27C32C23H23111.7°101.8°
C27C32C31H31179.6°180.0°
C29C30C31H30180.0°179.9°
C29C30C31C320.1°0.0°
C30C29C28H28179.9°179.9°
C29C30C31H31179.9°179.9°
C30C31C32H31180.0°179.9°
C31C30C29H29179.7°179.9°
C31C32C23H2367.6°78.2°
C32C31C30H30179.9°179.9°
H5C5N6HN6179.2°158.9°
H5C5C11H11176.7°65.9°
H7C7C8H8169.1°149.4°
H7C7N6HN671.3°63.9°
H7AC7C8H849.9°90.7°
H7AC7N6HN6169.5°176.0°
H8C8C10H105.2°0.1°
H8C8C10H10A108.1°145.0°
H8C8C9H9114.6°145.0°
H8C8C9H9A1.3°0.1°
H10C10C9H9120.0°145.0°
H10C10C9H9A6.7°0.0°
H10AC10C9H96.7°0.0°
H10AC10C9H9A106.6°145.0°
H15C15C14H140.3°0.0°
H15C15C16H160.5°0.0°
H24C24C26H26104.7°96.5°
H24C24C26H26A12.9°25.6°
H24C24C23H2316.0°25.5°
H24C24O25HO254.0°66.7°
H28C28C29H290.1°0.0°
HO1O1N2HN246.4°0.0°
H11C11C12H12166.2°173.7°
H11C11C12H12A71.9°66.3°
HN22N22C23H23159.2°170.5°
H29C29C30H300.3°0.1°
H30C30C31H310.1°0.0°

246704

PDB entries from 2025-12-24

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