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JSC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
RUC11sing2.19Å2.19Å
RUC12sing2.19Å2.19Å
RUC13sing2.20Å2.20Å
RUC14sing2.20Å2.20Å
RUC15sing2.18Å2.18Å
RUC16sing2.21Å2.21Å
RUC17sing2.20Å2.20Å
RUC18sing2.18Å2.18Å
RUC19sing2.19Å2.19Å
RUC20sing2.18Å2.18Å
C11C12sing1.38Å1.38Å
C11C15sing1.39Å1.39Å
C12C13sing1.39Å1.39Å
C13C14sing1.38Å1.38Å
C14C15sing1.39Å1.39Å
C16C17sing1.39Å1.39Å
C16C20sing1.39Å1.39Å
C17C18sing1.39Å1.39Å
C18C19sing1.40Å1.40Å
C18C24sing1.49Å1.49Å
C19C20sing1.38Å1.38Å
C24C25sing1.52Å1.52Å
C24O28doub1.23Å1.23Å
C25C26sing1.53Å1.53Å
C26C27sing1.52Å1.52Å
C27O29doub1.23Å1.23Å
C27N30sing1.34Å1.34Å
N30C31sing1.44Å1.44Å
C31C32sing1.50Å1.50Å
C31C34sing1.52Å1.52Å
C32O38doub1.23Å1.23Å
C32O67sing1.33Å1.33Å
N33C34sing1.45Å1.45Å
N33C51sing1.45Å1.45Å
C34S49sing1.81Å1.81Å
S49C50sing1.77Å1.77Å
C50C51sing1.54Å1.54Å
C50C52sing1.53Å1.53Å
C50C53sing1.54Å1.54Å
C51C63sing1.48Å1.48Å
C63O64doub1.22Å1.22Å
C63O65sing1.33Å1.33Å
C25H10sing1.10Å1.10Å
C25H11sing1.10Å1.10Å
C26H12sing1.10Å1.10Å
C26H13sing1.10Å1.10Å
N30H14sing1.00Å1.00Å
C31H15sing1.10Å1.10Å
N33H16sing1.00Å1.00Å
C34H18sing1.10Å1.10Å
C51H19sing1.10Å1.10Å
C52H20sing1.10Å1.10Å
C52H21sing1.10Å1.10Å
C52H22sing1.10Å1.10Å
C53H23sing1.10Å1.10Å
C53H24sing1.10Å1.10Å
C53H25sing1.10Å1.10Å
O65H26sing0.95Å0.95Å
O67H27sing0.95Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11RUC1236.7°36.7°
C11RUC1361.4°61.4°
C11RUC1462.0°62.0°
C11RUC1537.2°37.2°
C11RUC16130.5°130.5°
C11RUC17111.6°111.6°
C11RUC18120.0°120.0°
C11RUC19152.4°152.4°
C11RUC20166.4°166.4°
RUC11C1271.5°71.5°
RUC11C1571.2°71.2°
C12RUC1336.9°36.9°
C12RUC1461.7°61.7°
C12RUC1561.6°61.6°
C12RUC16114.2°114.2°
C12RUC17120.8°120.8°
C12RUC18149.7°149.7°
C12RUC19170.8°170.8°
C12RUC20134.6°134.6°
RUC12C1171.8°71.8°
RUC12C1372.2°72.2°
C13RUC1436.6°36.6°
C13RUC1561.2°61.2°
C13RUC16125.3°125.3°
C13RUC17152.5°152.5°
C13RUC18170.5°170.5°
C13RUC19137.6°137.6°
C13RUC20118.8°118.8°
RUC13C1271.0°71.0°
RUC13C1471.5°71.5°
C14RUC1537.0°37.0°
C14RUC16156.2°156.2°
C14RUC17167.1°167.1°
C14RUC18134.4°134.4°
C14RUC19118.5°118.5°
C14RUC20127.3°127.3°
RUC14C1371.9°71.9°
RUC14C1571.0°71.0°
C15RUC16165.0°165.0°
C15RUC17131.0°131.0°
C15RUC18113.6°113.6°
C15RUC19124.9°124.9°
C15RUC20156.3°156.3°
RUC15C1171.6°71.6°
RUC15C1472.0°72.0°
C16RUC1736.6°36.6°
C16RUC1861.9°61.9°
C16RUC1961.4°61.4°
C16RUC2036.8°36.8°
RUC16C1771.2°71.2°
RUC16C2070.1°70.1°
C17RUC1837.0°37.0°
C17RUC1961.3°61.3°
C17RUC2061.4°61.4°
RUC17C1672.3°72.3°
RUC17C1870.5°70.5°
C18RUC1937.4°37.4°
C18RUC2062.4°62.4°
RUC18C1772.5°72.5°
RUC18C1971.8°71.8°
RUC18C24118.8°118.8°
C19RUC2037.0°37.0°
RUC19C1870.8°70.8°
RUC19C2071.1°71.1°
RUC20C1673.1°73.1°
RUC20C1972.0°72.0°
C12C11C15107.5°107.5°
C11C12C13108.2°108.2°
C11C15C14108.4°108.4°
C12C13C14108.6°108.6°
C13C14C15107.2°107.2°
C17C16C20107.4°107.4°
C16C17C18109.1°109.1°
C16C20C19108.4°108.4°
C17C18C19106.9°106.9°
C17C18C24124.6°124.6°
C19C18C24128.4°128.4°
C18C19C20108.2°108.2°
C18C24C25117.0°117.0°
C18C24O28119.8°119.8°
C25C24O28123.0°123.0°
C24C25C26110.8°110.8°
C24C25H10109.1°109.1°
C24C25H11109.1°109.1°
C25C26C27110.3°110.3°
C26C25H10109.2°109.2°
C26C25H11109.1°109.1°
C25C26H12109.2°109.2°
C25C26H13109.3°109.3°
C26C27O29119.8°119.8°
C26C27N30116.4°116.4°
C27C26H12109.3°109.3°
C27C26H13109.3°109.3°
O29C27N30123.7°123.7°
C27N30C31121.5°121.5°
C27N30H14119.2°119.2°
N30C31C32109.8°109.8°
N30C31C34111.4°111.4°
C31N30H14119.2°119.2°
N30C31H15109.3°109.3°
C32C31C34109.4°109.4°
C31C32O38122.3°122.3°
C31C32O67118.8°118.8°
C32C31H15108.6°108.6°
C31C34N33108.3°108.3°
C31C34S49112.4°112.4°
C34C31H15108.3°108.3°
C31C34H18110.6°110.6°
O38C32O67118.8°118.8°
C32O67H27109.5°109.5°
C34N33C51112.6°112.6°
N33C34S49106.8°106.8°
C34N33H16108.7°108.7°
N33C34H18111.6°111.6°
N33C51C50106.7°106.7°
N33C51C63112.8°112.8°
C51N33H16108.7°108.7°
N33C51H19108.7°108.7°
C34S49C5094.7°94.7°
S49C34H18107.2°107.2°
S49C50C51106.5°106.5°
S49C50C52111.0°111.0°
S49C50C53108.2°108.2°
C51C50C52111.4°111.4°
C51C50C53109.1°109.1°
C50C51C63112.3°112.3°
C50C51H19107.7°107.6°
C52C50C53110.4°110.4°
C50C52H20109.5°109.5°
C50C52H21109.4°109.4°
C50C52H22109.5°109.5°
C50C53H23109.5°109.5°
C50C53H24109.5°109.5°
C50C53H25109.5°109.5°
C51C63O64119.7°119.7°
C51C63O65119.1°119.1°
C63C51H19108.4°108.4°
O64C63O65121.2°121.2°
C63O65H26109.5°109.5°
H10C25H11109.5°109.5°
H12C26H13109.5°109.5°
H20C52H21109.5°109.5°
H20C52H22109.5°109.5°
H21C52H22109.5°109.5°
H23C53H24109.4°109.4°
H23C53H25109.5°109.5°
H24C53H25109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11RUC12C13116.9°116.9°
C11RUC12C1480.2°80.2°
C11RUC12C1537.9°37.9°
C11RUC12C16126.0°126.0°
C11RUC12C1785.2°85.2°
C11RUC12C1850.7°50.7°
C11RUC12C19174.4°174.4°
C11RUC12C20163.9°163.9°
C11RUC13C1480.7°80.7°
C11RUC13C1542.7°42.7°
C11RUC13C16121.4°121.4°
C11RUC13C1781.8°81.8°
C11RUC13C18101.1°101.1°
C11RUC13C19154.1°154.1°
C11RUC13C20164.5°164.5°
C11RUC14C1537.5°37.5°
C11RUC14C16128.1°128.1°
C11RUC14C1762.8°62.8°
C11RUC14C18105.8°105.8°
C11RUC14C19148.6°148.6°
C11RUC14C20168.2°168.2°
C11RUC15C1639.9°39.9°
C11RUC15C1770.0°70.0°
C11RUC15C18109.2°109.2°
C11RUC15C19150.3°150.3°
C11RUC15C20176.2°176.2°
C11RUC16C1770.1°70.1°
C11RUC16C18106.9°106.9°
C11RUC16C19149.6°149.6°
C11RUC16C20172.6°172.6°
C11RUC17C18111.7°111.7°
C11RUC17C19150.5°150.5°
C11RUC17C20167.1°167.1°
C11RUC18C19158.5°158.5°
C11RUC18C20164.7°164.7°
C11RUC19C20161.3°161.3°
C11RUC18C2434.0°34.0°
C12RUC13C14118.1°118.1°
C12RUC13C1580.1°80.1°
C12RUC13C1683.9°83.9°
C12RUC13C1744.4°44.4°
C12RUC13C18138.6°138.6°
C12RUC13C19168.4°168.4°
C12RUC13C20127.0°127.0°
C12RUC14C1579.3°79.3°
C12RUC14C1686.3°86.3°
C12RUC14C17104.7°104.7°
C12RUC14C18147.7°147.7°
C12RUC14C19169.5°169.5°
C12RUC14C20126.3°126.3°
C12RUC15C1677.3°77.3°
C12RUC15C17107.4°107.4°
C12RUC15C18146.6°146.6°
C12RUC15C19172.3°172.3°
C12RUC15C20138.8°138.8°
C12RUC16C17109.6°109.6°
C12RUC16C18146.4°146.4°
C12RUC16C19170.9°170.9°
C12RUC16C20133.1°133.1°
C12RUC17C18151.6°151.6°
C12RUC17C19169.6°169.6°
C12RUC17C20127.3°127.3°
C12RUC18C19169.2°169.2°
C12RUC18C20132.4°132.4°
C12RUC19C2025.9°25.9°
C12RUC18C2466.3°66.3°
C13RUC14C15116.3°116.3°
C13RUC14C1649.4°49.4°
C13RUC14C17141.6°141.6°
C13RUC14C18175.4°175.4°
C13RUC14C19132.6°132.6°
C13RUC14C2089.4°89.4°
C13RUC15C16119.5°119.5°
C13RUC15C17149.7°149.7°
C13RUC15C18171.2°171.2°
C13RUC15C19130.0°130.0°
C13RUC15C2096.6°96.6°
C13RUC16C17150.4°150.4°
C13RUC16C18172.8°172.8°
C13RUC16C19130.1°130.1°
C13RUC16C2092.3°92.3°
C13RUC17C18179.2°179.2°
C13RUC17C19140.4°140.4°
C13RUC17C2098.1°98.1°
C13RUC18C1962.6°62.6°
C13RUC18C2099.4°99.4°
C13RUC19C2074.5°74.5°
C13RUC18C2461.8°61.8°
C14RUC15C16157.2°157.2°
C14RUC15C17172.7°172.7°
C14RUC15C18133.6°133.6°
C14RUC15C1992.4°92.4°
C14RUC15C2058.9°58.9°
C14RUC16C17175.9°175.9°
C14RUC16C18139.1°139.1°
C14RUC16C1996.4°96.4°
C14RUC16C2058.6°58.6°
C14RUC17C1854.1°54.1°
C14RUC17C1992.9°92.9°
C14RUC17C20135.2°135.2°
C14RUC18C1979.6°79.6°
C14RUC18C20116.4°116.4°
C14RUC19C20115.1°115.1°
C14RUC18C2444.9°44.9°
C15RUC16C1739.4°39.4°
C15RUC16C1876.2°76.2°
C15RUC16C19118.9°118.9°
C15RUC16C20156.7°156.7°
C15RUC17C1874.1°74.1°
C15RUC17C19112.9°112.9°
C15RUC17C20155.2°155.2°
C15RUC18C19117.2°117.2°
C15RUC18C20154.0°154.0°
C15RUC19C20158.3°158.3°
C15RUC18C247.3°7.3°
C16RUC17C18118.5°118.5°
C16RUC17C1979.7°79.7°
C16RUC17C2037.4°37.4°
C16RUC18C1978.7°78.7°
C16RUC18C2041.9°41.9°
C16RUC19C2037.7°37.7°
C16RUC18C24156.8°156.8°
C17RUC18C19115.1°115.1°
C17RUC18C2078.3°78.3°
C17RUC19C2079.6°79.6°
C17RUC18C24120.4°120.4°
C18RUC19C20118.0°118.0°
RUC18C19C24112.8°112.8°
RUC18C24C2590.9°90.9°
RUC18C24O2882.8°82.8°
C20RUC18C24161.3°161.3°
C11C12C13C141.2°1.2°
C12C11C15C140.3°0.3°
C15C11C12C130.9°0.9°
C11C15C14C130.4°0.4°
C12C13C14C151.0°1.0°
C16C17C18C191.7°1.7°
C16C17C18C24175.7°175.7°
C17C16C20C192.0°2.0°
C20C16C17C180.1°0.1°
C16C20C19C183.1°3.1°
C17C18C19C24177.3°177.3°
C17C18C19C202.9°2.9°
C17C18C24C25178.8°178.8°
C17C18C24O285.1°5.1°
C19C18C24C251.9°1.9°
C19C18C24O28171.8°171.8°
C24C18C19C20174.4°174.4°
C18C24C25O28173.5°173.5°
C18C24C25C26168.7°168.7°
C18C24C25H1048.4°48.4°
C18C24C25H1171.1°71.1°
C24C25C26H10120.2°120.2°
C24C25C26H11120.2°120.2°
C24C25C26C2772.9°72.9°
C24C25H10H11119.4°119.4°
C24C25C26H12167.0°167.0°
C24C25C26H1347.2°47.2°
O28C24C25C264.8°4.8°
O28C24C25H10125.1°125.1°
O28C24C25H11115.4°115.4°
C25C26C27H12120.1°120.1°
C25C26C27H13120.1°120.1°
C25C26C27O2952.0°52.0°
C25C26C27N30130.6°130.6°
C26C25H10H11119.4°119.4°
C25C26H12H13119.6°119.6°
C26C27O29N30177.2°177.2°
C26C27N30C31177.9°177.9°
C27C26C25H1047.3°47.3°
C27C26C25H11166.9°166.9°
C27C26H12H13119.6°119.6°
C26C27N30H142.1°2.1°
O29C27N30C310.6°0.6°
O29C27C26H1268.1°68.1°
O29C27C26H13172.1°172.1°
O29C27N30H14179.4°179.4°
C27N30C31H14180.0°180.0°
C27N30C31C3271.1°71.1°
C27N30C31C34167.5°167.5°
N30C27C26H12109.3°109.3°
N30C27C26H1310.5°10.5°
C27N30C31H1547.9°47.9°
N30C31C32C34122.5°122.5°
N30C31C32H15119.4°119.4°
N30C31C34H15120.2°120.2°
N30C31C32O3845.7°45.7°
N30C31C32O67136.4°136.4°
N30C31C34N3369.6°69.6°
N30C31C34S49172.6°172.6°
N30C31C34H1852.9°52.9°
C32C31C34H15118.2°118.2°
C31C32O38O67177.9°177.9°
C32C31C34N33168.7°168.7°
C32C31C34S4950.9°50.9°
C32C31N30H14108.9°108.9°
C32C31C34H1868.8°68.8°
C31C32O67H27177.9°177.9°
C34C31C32O3876.8°76.8°
C34C31C32O67101.1°101.1°
C31C34N33S49121.3°121.3°
C31C34N33H18121.9°121.9°
C31C34N33C5194.2°94.2°
C31C34S49H18121.7°121.7°
C31C34S49C50113.0°113.0°
C34C31N30H1412.5°12.5°
C31C34N33H1626.3°26.3°
O38C32C31H15165.2°165.2°
O38C32O67H270.0°0.0°
O67C32C31H1517.0°17.0°
C34N33C51H16120.5°120.5°
N33C34S49H18119.7°119.7°
N33C34S49C505.6°5.6°
C34N33C51C5038.9°38.9°
C34N33C51C63162.7°162.7°
N33C34C31H1550.5°50.5°
C34N33C51H1977.0°76.9°
C51N33C34S4927.1°27.1°
N33C51C50S4932.1°32.1°
N33C51C50C63124.2°124.2°
N33C51C50H19116.6°116.5°
N33C51C50C52153.3°153.3°
N33C51C50C5384.5°84.5°
N33C51C63H19120.5°120.5°
N33C51C63O6417.7°17.7°
N33C51C63O65161.4°161.4°
C51N33C34H18143.9°143.9°
C34S49C50C5115.1°15.1°
C34S49C50C52136.6°136.6°
C34S49C50C53102.1°102.1°
S49C34C31H1567.2°67.2°
S49C34N33H16147.6°147.6°
S49C50C51C52121.3°121.3°
S49C50C51C53116.6°116.6°
S49C50C52C53120.1°120.1°
S49C50C51C63156.2°156.2°
C50S49C34H18125.3°125.3°
S49C50C51H1984.5°84.5°
S49C50C52H20180.0°180.0°
S49C50C52H2160.0°60.0°
S49C50C52H2260.0°60.0°
S49C50C53H23180.0°180.0°
S49C50C53H2460.0°60.0°
S49C50C53H2560.0°60.0°
C51C50C52C53121.4°121.4°
C50C51C63H19118.8°118.8°
C50C51C63O64102.9°102.9°
C50C51C63O6577.9°77.9°
C50C51N33H16159.4°159.4°
C51C50C52H2061.5°61.4°
C51C50C52H21178.6°178.6°
C51C50C52H2258.6°58.6°
C51C50C53H2364.5°64.5°
C51C50C53H2455.5°55.5°
C51C50C53H25175.5°175.5°
C52C50C51C6382.5°82.5°
C52C50C51H1936.8°36.8°
C50C52H20H21120.0°120.0°
C50C52H20H22120.0°120.0°
C50C52H21H22120.0°120.0°
C52C50C53H2358.3°58.3°
C52C50C53H24178.3°178.3°
C52C50C53H2561.7°61.8°
C53C50C51C6339.6°39.6°
C53C50C51H19158.9°158.9°
C53C50C52H2059.9°60.0°
C53C50C52H2160.1°60.1°
C53C50C52H22179.9°179.9°
C50C53H23H24120.0°120.0°
C50C53H23H25120.0°120.0°
C50C53H24H25120.0°120.0°
C51C63O64O65179.1°179.1°
C63C51N33H1676.8°76.8°
C51C63O65H26179.1°179.1°
O64C63C51H19138.2°138.2°
O64C63O65H260.0°0.0°
O65C63C51H1940.9°40.9°
H10C25C26H1272.8°72.8°
H10C25C26H13167.4°167.4°
H11C25C26H1246.8°46.8°
H11C25C26H1373.0°73.0°
H14N30C31H15132.1°132.1°
H15C31C34H18173.1°173.1°
H16N33C34H1895.6°95.6°
H16N33C51H1943.5°43.6°
H20C52H21H22120.0°120.0°
H23C53H24H25120.0°120.0°

223166

PDB entries from 2024-07-31

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