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JQJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O11V2sing1.63Å1.74Å
O13V3sing1.61Å1.63Å
O16V5sing1.96Å1.77Å
O16V18sing1.94Å1.99Å
O16V20sing1.97Å2.29Å
O17V5sing1.96Å2.04Å
O17V6sing1.93Å1.81Å
O17V20sing1.93Å1.97Å
O1V4sing1.94Å1.75Å
O1V8sing1.94Å1.83Å
O2V4sing1.61Å1.71Å
O3V5sing1.95Å1.90Å
O3V6sing1.96Å2.06Å
O3V8sing1.95Å1.82Å
O4V5sing1.61Å1.56Å
V1O5sing1.96Å1.87Å
V1O6sing1.99Å2.02Å
V1O7sing1.88Å1.75Å
V1O8sing1.92Å1.85Å
V1O9sing1.61Å1.54Å
V2O5sing1.65Å1.75Å
V2O10sing1.64Å1.77Å
V2O12sing1.65Å1.84Å
V3O6sing1.99Å1.92Å
V3O8sing1.96Å1.78Å
V3O14sing1.96Å1.73Å
V3O32sing1.96Å2.05Å
V4O5sing1.98Å2.00Å
V4O6sing1.98Å1.92Å
V4O15sing1.94Å1.95Å
V5O15sing1.94Å1.79Å
V6O18sing1.97Å1.70Å
V6O19sing1.61Å1.64Å
V6O46sing1.96Å2.10Å
V7O7sing1.91Å1.99Å
V7O12sing1.99Å1.96Å
V7O23sing1.61Å1.60Å
V7O38sing1.96Å1.91Å
V7O42sing1.94Å1.99Å
V8O18sing1.98Å1.93Å
V8O21sing1.97Å1.77Å
V8O22sing1.61Å1.71Å
V9O12sing1.98Å2.00Å
V9O21sing1.94Å1.92Å
V9O24sing1.61Å1.57Å
V9O42sing1.98Å2.29Å
V9O43sing1.93Å1.97Å
V10O10sing1.93Å1.87Å
V10O25sing1.61Å2.15Å
V10O26sing1.93Å2.27Å
V10O27sing1.93Å2.11Å
V10O28sing1.93Å1.88Å
O8V14sing1.96Å2.05Å
O14V18sing1.96Å1.91Å
O18V17sing1.96Å2.10Å
O29V11sing1.96Å1.87Å
O29V13sing1.64Å1.75Å
O29V15sing1.98Å2.00Å
O30V11sing1.99Å2.02Å
O30V14sing1.99Å1.92Å
O30V15sing1.98Å1.92Å
O31V11sing1.88Å1.75Å
O31V18sing1.91Å1.99Å
O32V11sing1.92Å1.85Å
O32V14sing1.96Å1.78Å
O33V11sing1.61Å1.54Å
O34V12sing1.93Å1.87Å
O34V13sing1.64Å1.77Å
O35V13sing1.63Å1.74Å
O36V13sing1.65Å1.84Å
O36V18sing1.99Å1.96Å
O36V20sing1.98Å2.00Å
O37V14sing1.61Å1.63Å
O38V14sing1.96Å1.73Å
O39V15sing1.94Å1.75Å
O39V19sing1.94Å1.83Å
O40V15sing1.94Å1.95Å
O40V16sing1.94Å1.79Å
O41V15sing1.61Å1.71Å
O42V16sing1.96Å1.77Å
O43V16sing1.96Å2.04Å
O43V17sing1.93Å1.81Å
O44V16sing1.95Å1.90Å
O44V17sing1.96Å2.06Å
O44V19sing1.95Å1.82Å
O45V16sing1.61Å1.56Å
O46V17sing1.97Å1.70Å
O46V19sing1.98Å1.93Å
O47V17sing1.61Å1.64Å
O48V19sing1.97Å1.77Å
O48V20sing1.94Å1.92Å
O49V19sing1.61Å1.71Å
O50V18sing1.61Å1.60Å
O51V20sing1.61Å1.57Å
O52V12sing1.61Å2.15Å
O53V12sing1.93Å2.27Å
O54V12sing1.93Å2.11Å
O55V12sing1.93Å1.88Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O11V2O5109.4°110.2°
O11V2O10100.7°106.9°
O11V2O12107.9°110.3°
O13V3O6100.6°104.4°
O13V3O8102.6°103.7°
O13V3O14103.1°103.8°
O13V3O32106.4°104.4°
V5O16V18161.1°163.4°
V5O16V2097.7°94.3°
O16V5O1786.5°84.9°
O16V5O3150.6°153.1°
O16V5O498.0°103.3°
O16V5O1596.7°88.3°
V18O16V2092.7°94.6°
O16V18O1486.5°87.1°
O16V18O31149.7°155.5°
O16V18O3686.5°86.1°
O16V18O50106.9°102.2°
O16V20O1775.6°85.1°
O16V20O3677.7°85.8°
O16V20O48140.5°147.1°
O16V20O51114.4°106.5°
V5O17V698.7°94.9°
V5O17V20100.0°95.5°
O17V5O381.5°84.9°
O17V5O495.7°105.1°
O17V5O15153.5°149.8°
V6O17V20135.1°150.3°
O17V6O383.1°85.6°
O17V6O18151.1°151.3°
O17V6O19103.3°104.3°
O17V6O46100.0°87.1°
O17V20O36152.1°156.4°
O17V20O4892.1°86.6°
O17V20O5197.2°101.7°
V4O1V8144.4°148.9°
O1V4O2102.8°104.4°
O1V4O589.4°86.9°
O1V4O6149.5°151.3°
O1V4O1588.4°86.9°
O1V8O389.6°85.1°
O1V8O18153.4°151.4°
O1V8O2197.6°88.1°
O1V8O22107.1°104.2°
O2V4O5104.1°103.2°
O2V4O6107.6°104.3°
O2V4O15105.3°103.2°
V5O3V695.3°94.1°
V5O3V8147.3°145.2°
O3V5O4109.8°103.3°
O3V5O1583.1°88.0°
V6O3V897.7°95.3°
O3V6O1876.9°85.5°
O3V6O19109.4°105.1°
O3V6O46137.6°149.7°
O3V8O1877.9°85.6°
O3V8O21154.8°153.3°
O3V8O22105.8°103.3°
O4V5O15109.8°105.1°
O5V1O683.1°86.8°
O5V1O790.8°88.4°
O5V1O8154.2°151.9°
O5V1O9103.7°104.1°
V1O5V2122.6°121.2°
V1O5V498.2°93.6°
O6V1O7154.5°150.8°
O6V1O884.7°86.5°
O6V1O9107.1°104.6°
V1O6V388.0°92.3°
V1O6V496.0°92.8°
O7V1O890.6°84.2°
O7V1O998.4°104.6°
V1O7V7128.1°124.3°
O8V1O9101.5°104.0°
V1O8V397.9°95.1°
V1O8V14129.6°141.1°
O5V2O10118.3°110.7°
O5V2O12110.6°108.1°
V2O5V4133.3°137.5°
O10V2O12109.1°110.6°
V2O10V10164.9°178.4°
V2O12V7116.7°121.9°
V2O12V9127.1°141.1°
O6V3O889.4°85.3°
O6V3O1496.4°89.1°
O6V3O32148.9°150.9°
V3O6V4153.4°154.2°
O8V3O14152.1°152.4°
O8V3O3270.0°83.5°
V3O8V14103.9°93.7°
O14V3O3292.3°88.5°
V3O14V18155.5°142.7°
V3O32V11129.6°141.0°
V3O32V14103.9°93.7°
O5V4O682.2°86.4°
O5V4O15150.2°153.5°
O6V4O1584.8°86.8°
V4O15V5153.0°150.6°
O18V6O19102.9°104.3°
O18V6O4681.7°87.0°
V6O18V8107.4°93.6°
V6O18V1798.3°91.7°
O19V6O46110.9°105.2°
V6O46V1798.3°91.7°
V6O46V19134.8°137.4°
O7V7O1291.4°87.0°
O7V7O23103.3°102.2°
O7V7O3878.9°86.8°
O7V7O42149.7°155.5°
O12V7O2398.8°105.5°
O12V7O38146.8°149.1°
O12V7O4286.5°86.1°
V7O12V9102.9°93.0°
O23V7O38114.2°105.5°
O23V7O42106.9°102.3°
O38V7O4286.5°87.1°
V7O38V14155.5°142.7°
V7O42V992.7°94.6°
V7O42V16161.1°163.4°
O18V8O2185.1°88.2°
O18V8O2299.0°104.2°
V8O18V17134.8°137.4°
O21V8O2295.1°103.3°
V8O21V9138.3°132.7°
O12V9O21103.5°89.4°
O12V9O24101.0°101.7°
O12V9O4277.7°85.8°
O12V9O43152.1°156.4°
O21V9O24104.2°106.4°
O21V9O42140.5°147.1°
O21V9O4392.1°86.6°
O24V9O42114.4°106.5°
O24V9O4397.2°101.7°
O42V9O4375.6°85.1°
V9O42V1697.7°94.3°
V9O43V16100.0°95.5°
V9O43V17135.1°150.3°
O10V10O2593.7°103.9°
O10V10O2689.0°86.7°
O10V10O27162.3°152.3°
O10V10O28102.1°86.7°
O25V10O2695.9°103.9°
O25V10O2797.3°103.8°
O25V10O2894.7°103.8°
O26V10O2776.1°86.7°
O26V10O28164.1°152.3°
O27V10O2890.8°86.7°
O8V14O30148.9°150.8°
O8V14O3270.0°83.5°
O8V14O37106.4°104.4°
O8V14O3892.3°88.5°
O14V18O3178.9°86.7°
O14V18O36146.8°149.1°
O14V18O50114.2°105.5°
O18V17O43100.0°87.2°
O18V17O44137.6°149.7°
O18V17O4681.7°87.0°
O18V17O47110.9°105.1°
V11O29V13122.6°121.2°
V11O29V1598.2°93.6°
O29V11O3083.1°86.8°
O29V11O3190.8°88.4°
O29V11O32154.2°151.9°
O29V11O33103.7°104.1°
V13O29V15133.3°137.5°
O29V13O34118.3°110.7°
O29V13O35109.4°110.3°
O29V13O36110.6°108.1°
O29V15O3082.2°86.4°
O29V15O3989.4°86.8°
O29V15O40150.2°153.5°
O29V15O41104.1°103.2°
V11O30V1488.0°92.3°
V11O30V1596.0°92.8°
O30V11O31154.5°150.7°
O30V11O3284.7°86.5°
O30V11O33107.1°104.6°
V14O30V15153.4°154.2°
O30V14O3289.4°85.3°
O30V14O37100.6°104.4°
O30V14O3896.4°89.1°
O30V15O39149.5°151.3°
O30V15O4084.8°86.8°
O30V15O41107.6°104.4°
V11O31V18128.1°124.3°
O31V11O3290.6°84.2°
O31V11O3398.4°104.6°
O31V18O3691.4°87.0°
O31V18O50103.3°102.2°
V11O32V1497.9°95.1°
O32V11O33101.5°104.1°
O32V14O37102.6°103.7°
O32V14O38152.1°152.4°
V12O34V13164.9°176.0°
O34V12O5293.7°103.9°
O34V12O5389.0°86.7°
O34V12O54162.3°152.3°
O34V12O55102.1°86.7°
O34V13O35100.7°106.8°
O34V13O36109.1°110.6°
O35V13O36107.9°110.3°
V13O36V18116.7°121.9°
V13O36V20127.1°141.1°
V18O36V20102.9°93.0°
O36V18O5098.8°105.5°
O36V20O48103.5°89.4°
O36V20O51101.0°101.7°
O37V14O38103.1°103.8°
V15O39V19144.4°148.9°
O39V15O4088.4°86.9°
O39V15O41102.8°104.4°
O39V19O4489.6°85.1°
O39V19O46153.4°151.3°
O39V19O4897.6°88.2°
O39V19O49107.1°104.3°
V15O40V16153.0°150.6°
O40V15O41105.3°103.2°
O40V16O4296.7°88.4°
O40V16O43153.5°149.8°
O40V16O4483.1°88.0°
O40V16O45109.8°105.1°
O42V16O4386.5°85.0°
O42V16O44150.6°153.2°
O42V16O4598.0°103.3°
V16O43V1798.7°94.9°
O43V16O4481.5°84.9°
O43V16O4595.7°105.1°
O43V17O4483.1°85.6°
O43V17O46151.1°151.4°
O43V17O47103.3°104.3°
V16O44V1795.3°94.1°
V16O44V19147.3°145.2°
O44V16O45109.8°103.3°
V17O44V1997.7°95.4°
O44V17O4676.9°85.4°
O44V17O47109.4°105.2°
O44V19O4677.9°85.5°
O44V19O48154.8°153.3°
O44V19O49105.8°103.3°
V17O46V19107.4°93.6°
O46V17O47102.9°104.3°
O46V19O4885.1°88.2°
O46V19O4999.0°104.2°
V19O48V20138.3°132.7°
O48V19O4995.1°103.4°
O48V20O51104.2°106.4°
O52V12O5395.9°103.9°
O52V12O5497.3°103.9°
O52V12O5594.7°103.9°
O53V12O5476.1°86.7°
O53V12O55164.1°152.3°
O54V12O5590.8°86.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O11V2O5V1176.9°176.8°
O11V2O5O10114.4°118.0°
O11V2O5O12118.8°120.7°
O11V2O10O12113.3°120.2°
O11V2O5V430.0°42.9°
O11V2O12V7167.8°177.8°
O11V2O12V933.9°27.1°
O11V2O10V10156.8°87.0°
O13V3O6V1100.4°96.6°
O13V3O8V198.2°97.1°
O13V3O6O8102.7°103.0°
O13V3O6O14104.6°104.0°
O13V3O6O32149.9°170.7°
O13V3O8O14156.6°177.3°
O13V3O8O32103.1°103.3°
O13V3O14O32107.4°104.4°
O13V3O6V4160.3°162.2°
O13V3O8V14127.6°120.9°
O13V3O14V18119.4°124.1°
O13V3O32V11120.7°136.9°
O13V3O32V14126.3°120.2°
V5O16V18V20123.5°122.3°
O16V5O17O3153.1°155.1°
O16V5O17O497.7°102.4°
O16V5O17O1598.0°77.9°
O16V5O17V6143.4°149.6°
V5O16V20O174.1°2.5°
O16V5O3O4159.9°172.6°
O16V5O3O1591.5°82.4°
O16V5O3V658.5°62.8°
O16V5O3V854.7°42.7°
O16V5O4O15100.1°91.9°
O16V5O15V4129.8°138.1°
V5O16V18O1420.4°32.6°
V5O16V18O3140.4°43.1°
V5O16V18O36127.1°117.2°
V5O16V20O36167.8°160.8°
V5O16V20O4871.3°78.5°
V5O16V18O50134.7°137.8°
V5O16V20O5195.6°98.2°
V18O16V5O17126.7°119.8°
V18O16V20O17168.3°163.4°
V18O16V5O361.0°51.6°
V18O16V5O4138.1°135.8°
O16V18O14V3124.0°119.9°
V18O16V5O1526.9°30.6°
O16V18O14O31153.3°156.3°
O16V18O14O3678.1°77.6°
O16V18O14O50106.9°101.9°
O16V18O31V119.9°0.3°
O16V18O31O3685.4°73.9°
O16V18O31O50175.2°179.1°
O16V18O36V13148.0°156.9°
O16V18O36O50106.5°101.6°
V18O16V20O363.6°5.2°
V18O16V20O4892.9°87.5°
V18O16V20O51100.2°95.8°
O16V20O17V6116.7°107.5°
O16V20O17O3617.2°67.6°
O16V20O17O48141.9°148.1°
O16V20O17O51113.4°105.9°
V20O16V5O361.9°70.7°
V20O16V5O499.1°101.9°
V20O16V5O15149.8°153.0°
V20O16V18O14144.0°154.9°
V20O16V18O3183.2°79.2°
O16V20O36V13142.4°150.4°
O16V20O36O48139.4°147.4°
O16V20O36O51112.9°106.0°
O16V20O48V192.9°18.5°
O16V20O48O51167.7°176.7°
V20O16V18O50101.8°99.9°
V5O17V6V20113.7°110.2°
O17V5O3O493.0°104.4°
O17V5O3O15158.4°150.6°
V5O17V6O38.9°5.5°
O17V5O3V8121.6°110.9°
O17V5O4O15172.6°179.8°
O17V5O15V434.2°61.1°
V5O17V6O1837.4°66.6°
V5O17V6O19117.2°110.0°
V5O17V6O46128.3°145.1°
V5O17V20O3613.6°70.1°
V5O17V20O48138.4°150.7°
V5O17V20O51117.0°103.3°
O17V6O3O18159.0°152.8°
O17V6O3O19101.8°103.6°
O17V6O3O4697.3°76.6°
O17V6O3V8159.4°152.0°
V6O17V5O4118.9°108.0°
V6O17V5O1545.4°71.7°
O17V6O18O19154.7°176.6°
O17V6O18O4695.7°78.5°
O17V6O19O46106.3°90.9°
O17V6O18V847.8°71.3°
O17V6O18V1794.5°66.4°
V6O17V20O3699.6°39.9°
O17V6O46V17149.3°139.9°
O17V6O46V1924.5°42.7°
V6O17V20O4825.2°40.7°
V6O17V20O51129.8°146.7°
V20O17V5O3148.6°157.7°
V20O17V6O3122.5°115.7°
V20O17V5O4102.1°99.9°
V20O17V5O1593.5°80.5°
V20O17V6O1876.3°43.6°
V20O17V6O19129.1°139.8°
V20O17V6O4614.7°34.9°
O17V20O36V13125.3°82.9°
O17V20O36V1813.3°72.5°
O17V20O36O48122.4°80.0°
O17V20O36O51129.9°173.5°
O17V20O48V1972.6°57.0°
O17V20O48O5198.0°101.2°
O1V4O2O592.7°90.1°
O1V4O2O6178.8°179.8°
O1V4O2O1591.9°90.2°
V4O1V8O340.9°44.5°
O1V4O5V1144.6°147.6°
O1V4O6V169.7°72.4°
O1V4O5V27.6°0.7°
O1V4O6V327.7°28.7°
O1V4O5O6150.6°152.1°
O1V4O5O1585.8°76.6°
O1V4O6O1577.9°77.6°
O1V4O15V521.1°12.9°
V4O1V8O1820.5°27.0°
V4O1V8O21114.9°109.7°
V4O1V8O22147.3°147.0°
V8O1V4O2138.7°137.4°
O1V8O3V544.1°47.0°
O1V8O3V6156.6°152.1°
O1V8O3O18156.3°152.9°
O1V8O3O21107.4°76.0°
O1V8O3O22107.7°103.5°
V8O1V4O5117.0°119.7°
V8O1V4O643.6°43.0°
V8O1V4O1533.3°34.5°
O1V8O18V664.3°70.6°
O1V8O18O2197.4°82.7°
O1V8O18O22168.2°174.0°
O1V8O21O22108.0°104.2°
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O43V16O44V19121.6°111.0°
V16O43V17O4637.4°66.6°
V16O43V17O47117.2°110.1°
O43V17O44O46159.0°152.8°
O43V17O44O47101.8°103.6°
O43V17O44V19159.4°152.0°
V17O43V16O45118.9°108.0°
O43V17O46O47154.7°176.6°
O43V17O46V1947.8°71.4°
V16O44V17V19149.9°146.4°
V16O44V17O46149.5°147.2°
V16O44V19O46112.2°105.9°
V16O44V17O47111.2°109.2°
V16O44V19O4863.3°29.1°
V16O44V19O49151.8°150.5°
V17O44V16O45101.4°109.8°
O44V17O46O47107.2°104.5°
V17O44V19O460.3°0.8°
V17O44V19O4849.2°76.1°
V17O44V19O4995.7°104.4°
V19O44V16O45145.4°144.7°
O44V19O46O48161.2°154.1°
O44V19O46O49104.4°102.6°
V19O44V17O4798.9°104.4°
O44V19O48O49146.3°179.6°
O44V19O48V2028.7°10.4°
V17O46V19O48161.6°153.3°
V17O46V19O49104.0°103.4°
V19O46V17O47106.9°105.3°
O46V19O48O4998.6°104.2°
O46V19O48V2076.4°65.8°
V19O48V20O51170.6°158.2°
V20O48V19O49175.0°170.0°
O52V12O53O5496.0°103.5°
O52V12O53O55131.6°180.0°
O52V12O54O5594.8°103.5°
O53V12O54O55170.8°153.1°

260320

PDB entries from 2026-09-30

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