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JSD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
RUC11sing2.21Å2.21Å
RUC12sing2.19Å2.19Å
RUC13sing2.19Å2.19Å
RUC14sing2.18Å2.18Å
RUC15sing2.20Å2.20Å
RUC16sing2.20Å2.20Å
RUC17sing2.18Å2.18Å
RUC18sing2.16Å2.16Å
RUC19sing2.18Å2.18Å
RUC20sing2.19Å2.19Å
C11C12sing1.39Å1.39Å
C11C15sing1.38Å1.38Å
C12C13sing1.38Å1.38Å
C13C14sing1.38Å1.38Å
C14C15sing1.37Å1.37Å
C16C17sing1.38Å1.38Å
C16C20sing1.39Å1.39Å
C17C18sing1.40Å1.40Å
C18C19sing1.40Å1.40Å
C18C24sing1.49Å1.49Å
C19C20sing1.39Å1.39Å
C24C25sing1.52Å1.52Å
C24O28doub1.22Å1.22Å
C25C26sing1.52Å1.52Å
C26C27sing1.52Å1.52Å
C27O29doub1.23Å1.23Å
C27N30sing1.33Å1.33Å
N30C31sing1.46Å1.46Å
C31C34sing1.56Å1.56Å
N33C34sing1.45Å1.45Å
N33C51sing1.44Å1.44Å
C34S49sing1.79Å1.79Å
S49C50sing1.78Å1.78Å
C50C51sing1.55Å1.55Å
C50C52sing1.54Å1.54Å
C50C53sing1.54Å1.54Å
C51C63sing1.48Å1.48Å
C63O64doub1.21Å1.21Å
C63O65sing1.30Å1.30Å
C25H10sing1.10Å1.10Å
C25H11sing1.10Å1.10Å
C26H12sing1.10Å1.10Å
C26H13sing1.10Å1.10Å
N30H14sing1.00Å1.00Å
C31H15sing1.10Å1.10Å
C31H16sing1.10Å1.10Å
N33H17sing1.00Å1.00Å
C34H19sing1.10Å1.10Å
C51H20sing1.10Å1.10Å
C52H21sing1.10Å1.10Å
C52H22sing1.10Å1.10Å
C52H23sing1.10Å1.10Å
C53H24sing1.10Å1.10Å
C53H25sing1.10Å1.10Å
C53H26sing1.10Å1.10Å
O65H27sing0.95Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11RUC1236.8°36.8°
C11RUC1361.3°61.3°
C11RUC1461.5°61.5°
C11RUC1536.6°36.6°
C11RUC16112.8°112.8°
C11RUC17120.9°120.9°
C11RUC18151.4°151.4°
C11RUC19168.5°168.5°
C11RUC20132.5°132.5°
RUC11C1270.9°70.9°
RUC11C1571.3°71.3°
C12RUC1336.9°36.9°
C12RUC1461.8°61.8°
C12RUC1561.2°61.2°
C12RUC16121.5°121.5°
C12RUC17150.4°150.4°
C12RUC18171.1°171.1°
C12RUC19135.3°135.3°
C12RUC20115.4°115.4°
RUC12C1172.4°72.4°
RUC12C1371.5°71.5°
C13RUC1437.0°37.0°
C13RUC1561.0°61.0°
C13RUC16152.8°152.8°
C13RUC17170.3°170.3°
C13RUC18136.2°136.2°
C13RUC19118.0°118.0°
C13RUC20125.2°125.2°
RUC13C1271.6°71.6°
RUC13C1471.2°71.2°
C14RUC1536.6°36.6°
C14RUC16167.1°167.1°
C14RUC17134.1°134.1°
C14RUC18116.3°116.3°
C14RUC19125.8°125.8°
C14RUC20155.6°155.6°
RUC14C1371.9°71.9°
RUC14C1572.5°72.5°
C15RUC16131.9°131.9°
C15RUC17114.3°114.3°
C15RUC18123.2°123.2°
C15RUC19154.6°154.6°
C15RUC20166.6°166.6°
RUC15C1172.1°72.1°
RUC15C1470.9°70.9°
C16RUC1736.8°36.8°
C16RUC1862.5°62.5°
C16RUC1962.0°62.0°
C16RUC2036.9°36.9°
RUC16C1770.8°70.8°
RUC16C2071.3°71.3°
C17RUC1837.5°37.5°
C17RUC1962.0°62.0°
C17RUC2061.4°61.4°
RUC17C1672.4°72.4°
RUC17C1870.7°70.7°
C18RUC1937.5°37.5°
C18RUC2062.3°62.3°
RUC18C1771.8°71.8°
RUC18C1972.1°72.1°
RUC18C24116.8°116.8°
C19RUC2037.1°37.1°
RUC19C1870.4°70.4°
RUC19C2071.8°71.8°
RUC20C1671.8°71.8°
RUC20C1971.2°71.2°
C12C11C15107.4°107.4°
C11C12C13107.9°107.9°
C11C15C14108.7°108.7°
C12C13C14108.2°108.2°
C13C14C15107.7°107.7°
C17C16C20107.4°107.4°
C16C17C18109.1°109.1°
C16C20C19108.7°108.7°
C17C18C19107.0°107.0°
C17C18C24125.7°125.7°
C19C18C24126.9°126.9°
C18C19C20107.7°107.7°
C18C24C25117.6°117.6°
C18C24O28119.3°119.3°
C25C24O28122.4°122.4°
C24C25C26112.7°112.7°
C24C25H10108.7°108.7°
C24C25H11108.7°108.7°
C25C26C27111.6°111.6°
C26C25H10108.7°108.7°
C26C25H11108.6°108.6°
C25C26H12108.9°108.9°
C25C26H13108.9°108.9°
C26C27O29120.1°120.1°
C26C27N30118.0°118.0°
C27C26H12108.9°108.9°
C27C26H13109.0°109.0°
O29C27N30121.7°121.7°
C27N30C31120.6°120.6°
C27N30H14119.7°119.7°
N30C31C34112.6°112.6°
C31N30H14119.7°119.7°
N30C31H15108.7°108.7°
N30C31H16108.7°108.7°
C31C34N33112.0°112.0°
C31C34S49108.9°108.9°
C34C31H15108.7°108.7°
C34C31H16108.7°108.7°
C31C34H19109.7°109.7°
C34N33C51113.9°113.9°
N33C34S49107.9°107.9°
C34N33H17108.4°108.4°
N33C34H19111.1°111.1°
N33C51C50106.5°106.5°
N33C51C63110.3°110.3°
C51N33H17108.4°108.4°
N33C51H20110.0°109.9°
C34S49C5091.8°91.8°
S49C34H19107.1°107.1°
S49C50C51103.2°103.2°
S49C50C52111.2°111.2°
S49C50C53110.1°110.1°
C51C50C52112.8°112.8°
C51C50C53108.1°108.1°
C50C51C63112.0°112.0°
C50C51H20108.5°108.5°
C52C50C53111.2°111.2°
C50C52H21109.5°109.5°
C50C52H22109.5°109.5°
C50C52H23109.5°109.5°
C50C53H24109.5°109.5°
C50C53H25109.4°109.4°
C50C53H26109.5°109.5°
C51C63O64122.8°122.8°
C51C63O65115.8°115.8°
C63C51H20109.4°109.5°
O64C63O65121.3°121.3°
C63O65H27109.5°109.5°
H10C25H11109.5°109.5°
H12C26H13109.5°109.5°
H15C31H16109.5°109.5°
H21C52H22109.5°109.5°
H21C52H23109.5°109.5°
H22C52H23109.5°109.5°
H24C53H25109.5°109.5°
H24C53H26109.5°109.5°
H25C53H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11RUC12C13116.5°116.5°
C11RUC12C1479.2°79.2°
C11RUC12C1537.4°37.4°
C11RUC12C1686.4°86.4°
C11RUC12C1751.7°51.7°
C11RUC12C18159.3°159.3°
C11RUC12C19167.1°167.1°
C11RUC12C20128.0°128.0°
C11RUC13C1479.8°79.8°
C11RUC13C1542.0°42.0°
C11RUC13C1684.2°84.2°
C11RUC13C17105.4°105.4°
C11RUC13C18151.1°151.1°
C11RUC13C19166.9°166.9°
C11RUC13C20123.8°123.8°
C11RUC14C1536.8°36.8°
C11RUC14C1666.3°66.3°
C11RUC14C17106.7°106.7°
C11RUC14C18147.8°147.8°
C11RUC14C19169.4°169.4°
C11RUC14C20131.6°131.6°
C11RUC15C1670.5°70.5°
C11RUC15C17109.7°109.7°
C11RUC15C18151.5°151.5°
C11RUC15C19174.8°174.8°
C11RUC15C2041.2°41.2°
C11RUC16C17111.6°111.6°
C11RUC16C18148.8°148.8°
C11RUC16C19168.6°168.6°
C11RUC16C20131.5°131.5°
C11RUC17C18154.3°154.3°
C11RUC17C19167.2°167.2°
C11RUC17C20124.9°124.9°
C11RUC18C19166.5°166.5°
C11RUC18C20129.3°129.3°
C11RUC19C2028.8°28.8°
C11RUC18C2470.5°70.5°
C12RUC13C14117.5°117.5°
C12RUC13C1579.7°79.7°
C12RUC13C1646.5°46.5°
C12RUC13C17143.1°143.1°
C12RUC13C18171.3°171.3°
C12RUC13C19129.2°129.2°
C12RUC13C2086.2°86.2°
C12RUC14C1578.8°78.8°
C12RUC14C16108.3°108.3°
C12RUC14C17148.7°148.7°
C12RUC14C18170.2°170.2°
C12RUC14C19127.4°127.4°
C12RUC14C2089.6°89.6°
C12RUC15C16108.0°108.0°
C12RUC15C17147.2°147.2°
C12RUC15C18171.0°171.0°
C12RUC15C19137.3°137.3°
C12RUC15C2078.7°78.7°
C12RUC16C17152.0°152.0°
C12RUC16C18170.8°170.8°
C12RUC16C19128.2°128.2°
C12RUC16C2091.1°91.1°
C12RUC17C18172.5°172.5°
C12RUC17C19134.0°134.0°
C12RUC17C2091.7°91.7°
C12RUC18C1939.8°39.8°
C12RUC18C2077.0°77.0°
C12RUC19C2070.9°70.9°
C12RUC18C2483.2°83.2°
C13RUC14C15116.0°116.0°
C13RUC14C16145.5°145.5°
C13RUC14C17174.2°174.2°
C13RUC14C18133.0°133.0°
C13RUC14C1990.3°90.3°
C13RUC14C2052.5°52.5°
C13RUC15C16150.3°150.3°
C13RUC15C17170.5°170.5°
C13RUC15C18128.6°128.6°
C13RUC15C1994.9°94.9°
C13RUC15C20121.0°121.0°
C13RUC16C17177.3°177.3°
C13RUC16C18140.2°140.2°
C13RUC16C1997.5°97.5°
C13RUC16C2060.4°60.4°
C13RUC17C1854.3°54.3°
C13RUC17C1992.9°92.9°
C13RUC17C20135.2°135.2°
C13RUC18C1975.9°75.9°
C13RUC18C20113.1°113.1°
C13RUC19C20112.2°112.2°
C13RUC18C2447.1°47.1°
C14RUC15C16171.5°171.5°
C14RUC15C17132.3°132.3°
C14RUC15C1890.5°90.5°
C14RUC15C1956.8°56.8°
C14RUC15C20159.2°159.2°
C14RUC16C1750.8°50.8°
C14RUC16C1888.0°88.0°
C14RUC16C19130.6°130.6°
C14RUC16C20167.7°167.7°
C14RUC17C1875.6°75.6°
C14RUC17C19114.1°114.1°
C14RUC17C20156.4°156.4°
C14RUC18C19115.4°115.4°
C14RUC18C20152.6°152.6°
C14RUC19C20155.1°155.1°
C14RUC18C247.6°7.6°
C15RUC16C1774.0°74.0°
C15RUC16C18111.2°111.2°
C15RUC16C19153.9°153.9°
C15RUC16C20169.1°169.1°
C15RUC17C18113.4°113.4°
C15RUC17C19152.0°152.0°
C15RUC17C20165.7°165.7°
C15RUC18C19157.0°157.0°
C15RUC18C20165.7°165.7°
C15RUC19C20166.9°166.9°
C15RUC18C2434.1°34.1°
C16RUC17C18118.4°118.4°
C16RUC17C1979.8°79.8°
C16RUC17C2037.5°37.5°
C16RUC18C1979.0°79.0°
C16RUC18C2041.8°41.8°
C16RUC19C2036.9°36.9°
C16RUC18C24158.0°158.0°
C17RUC18C19115.5°115.5°
C17RUC18C2078.3°78.3°
C17RUC19C2078.8°78.8°
C17RUC18C24121.5°121.5°
C18RUC19C20117.2°117.2°
RUC18C19C24110.5°110.5°
RUC18C24C2581.2°81.2°
RUC18C24O28107.9°107.9°
C20RUC18C24160.2°160.2°
C11C12C13C141.5°1.5°
C12C11C15C140.3°0.3°
C15C11C12C130.8°0.8°
C11C15C14C131.2°1.2°
C12C13C14C151.7°1.7°
C16C17C18C191.3°1.3°
C16C17C18C24173.1°173.1°
C17C16C20C190.1°0.1°
C20C16C17C180.7°0.7°
C16C20C19C180.9°0.9°
C17C18C19C24174.2°174.2°
C17C18C19C201.3°1.3°
C17C18C24C255.0°5.0°
C17C18C24O28165.9°165.9°
C19C18C24C25168.2°168.2°
C19C18C24O2820.9°20.9°
C24C18C19C20172.9°172.9°
C18C24C25O28170.6°170.6°
C18C24C25C26150.9°150.9°
C18C24C25H1030.4°30.4°
C18C24C25H1188.6°88.6°
C24C25C26H10120.5°120.5°
C24C25C26H11120.5°120.5°
C24C25C26C27177.1°177.1°
C24C25H10H11118.6°118.6°
C24C25C26H1256.8°56.8°
C24C25C26H1362.5°62.5°
O28C24C25C2619.6°19.6°
O28C24C25H10140.1°140.1°
O28C24C25H11100.8°100.8°
C25C26C27H12120.3°120.3°
C25C26C27H13120.3°120.3°
C25C26C27O290.1°0.1°
C25C26C27N30175.3°175.3°
C26C25H10H11118.5°118.5°
C25C26H12H13119.0°119.0°
C26C27O29N30175.3°175.3°
C26C27N30C31179.7°179.7°
C27C26C25H1062.4°62.4°
C27C26C25H1156.6°56.6°
C27C26H12H13119.1°119.1°
C26C27N30H140.3°0.3°
O29C27N30C314.3°4.3°
O29C27C26H12120.4°120.4°
O29C27C26H13120.2°120.2°
O29C27N30H14175.7°175.7°
C27N30C31H14180.0°180.0°
C27N30C31C34180.0°180.0°
N30C27C26H1255.0°55.0°
N30C27C26H1364.4°64.4°
C27N30C31H1559.6°59.6°
C27N30C31H1659.5°59.5°
N30C31C34H15120.4°120.4°
N30C31C34H16120.5°120.5°
N30C31C34N3357.8°57.8°
N30C31C34S4961.4°61.4°
N30C31H15H16118.6°118.6°
N30C31C34H19178.3°178.3°
C31C34N33S49119.8°119.8°
C31C34N33H19123.1°123.1°
C31C34N33C51118.6°118.6°
C31C34S49H19118.5°118.5°
C31C34S49C50142.9°142.9°
C34C31N30H140.0°0.0°
C34C31H15H16118.6°118.6°
C31C34N33H172.1°2.1°
C34N33C51H17120.7°120.7°
N33C34S49H19119.7°119.7°
N33C34S49C5021.2°21.2°
C34N33C51C5027.8°27.8°
C34N33C51C63149.6°149.6°
N33C34C31H1562.6°62.6°
N33C34C31H16178.3°178.3°
C34N33C51H2089.6°89.6°
C51N33C34S491.3°1.3°
N33C51C50S4941.2°41.2°
N33C51C50C63120.7°120.7°
N33C51C50H20118.4°118.3°
N33C51C50C5278.9°78.9°
N33C51C50C53157.8°157.8°
N33C51C63H20121.1°121.1°
N33C51C63O6427.2°27.2°
N33C51C63O65148.9°148.9°
C51N33C34H19118.4°118.4°
C34S49C50C5135.4°35.4°
C34S49C50C5285.8°85.8°
C34S49C50C53150.6°150.6°
S49C34C31H15178.1°178.1°
S49C34C31H1659.0°59.0°
S49C34N33H17121.9°121.9°
S49C50C51C52120.1°120.1°
S49C50C51C53116.6°116.6°
S49C50C52C53123.0°123.0°
S49C50C51C63161.9°161.9°
C50S49C34H1998.6°98.6°
S49C50C51H2077.2°77.1°
S49C50C52H21180.0°180.0°
S49C50C52H2260.0°60.0°
S49C50C52H2360.0°60.0°
S49C50C53H24180.0°180.0°
S49C50C53H2560.0°60.0°
S49C50C53H2660.0°60.0°
C51C50C52C53121.6°121.6°
C50C51C63H20120.4°120.4°
C50C51C63O6491.3°91.3°
C50C51C63O6592.6°92.6°
C50C51N33H17148.5°148.5°
C51C50C52H2164.7°64.7°
C51C50C52H2255.3°55.3°
C51C50C52H23175.3°175.3°
C51C50C53H2468.0°68.0°
C51C50C53H25172.0°172.0°
C51C50C53H2652.0°52.0°
C52C50C51C6341.8°41.8°
C52C50C51H20162.8°162.8°
C50C52H21H22120.0°120.0°
C50C52H21H23120.0°120.0°
C50C52H22H23120.0°120.0°
C52C50C53H2456.3°56.3°
C52C50C53H2563.7°63.7°
C52C50C53H26176.3°176.3°
C53C50C51C6381.6°81.6°
C53C50C51H2039.4°39.4°
C53C50C52H2157.0°57.0°
C53C50C52H22177.0°177.0°
C53C50C52H2363.0°63.0°
C50C53H24H25120.0°120.0°
C50C53H24H26120.0°120.0°
C50C53H25H26120.0°120.0°
C51C63O64O65175.9°175.9°
C63C51N33H1789.8°89.8°
C51C63O65H27176.1°176.1°
O64C63C51H20148.3°148.3°
O64C63O65H270.0°0.0°
O65C63C51H2027.8°27.8°
H10C25C26H12177.3°177.3°
H10C25C26H1358.0°58.0°
H11C25C26H1263.7°63.7°
H11C25C26H13177.0°177.0°
H14N30C31H15120.4°120.4°
H14N30C31H16120.5°120.5°
H15C31C34H1961.3°61.3°
H16C31C34H1957.8°57.8°
H17N33C34H19121.0°121.0°
H17N33C51H2031.0°31.1°
H21C52H22H23120.0°120.0°
H24C53H25H26120.0°120.0°

225946

PDB entries from 2024-10-09

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