| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN11026 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-120436_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6699 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6487680_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6489 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-91609_1_3 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3342 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1726277_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4179 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-80083_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN723 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7003350_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7674 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-40225_1_1 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5708 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-06654_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10924 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6491117_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11046 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6738887_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN998 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-246248_2_2 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9366 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-783124_3_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN584 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1253122_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5900 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-95507_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9746 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-201553_3_1 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5087 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-341337_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN672 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-139167_3_2 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3016 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7089802_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1354 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-2908024_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4367 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7473354_3_1 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7586 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-129441_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6335 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-98143_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1548 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1968342_3_2 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6471 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-262604_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2703 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-39405_3_2 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
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     | 
  ||||
| RUN2598 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-222969_1_1 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6555 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-100916_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2011 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6255179_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7842 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-37123_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7086 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-141695_1_2 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8778 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6491316_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5918 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7459545_3_2 | 
      
         | 
    −2.0 ± 0.6 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1182 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6736413_2_2 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN736 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-143449_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6888 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-50009_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN587 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-90225_4_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN757 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-10895_3_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5824 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-123614_1_1 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6202 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-69162_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3662 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1644723_1_7 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN483 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1968342_2_1 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1587 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-19700_3_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2683 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-315963_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3184 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-332601_3_2 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7472 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-103638_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2450 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-99983_1_1 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9107 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1723214_1_1 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2816 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-304135_3_2 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6230 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-10747_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4257 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-188341_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2842 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-107493_1_2 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2519 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1273362_2_2 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8746 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-225053_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1330 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-68747_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5219 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1212400_1_2 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8406 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7355981_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9612 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-21303_3_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2773 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-30397_3_2 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3638 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-42269_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2454 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-120920_3_2 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN875 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-310398_2_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1675 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1253178_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1647 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-370967_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8074 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-29520_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6771 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-333468_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4874 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-201346_2_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3267 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-122656_2_1 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8420 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-254883_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1124 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-173006_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1469 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-783124_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6926 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-266736_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3390 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6277108_1_3 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN748 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-316216_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7056 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7435545_1_1 | 
      
         | 
    −2.0 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7966 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-28571_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1133 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1072972_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4127 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-304135_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2323 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1273362_2_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7122 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-82616_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN888 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-197715_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3853 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-14628_1_2 | 
      
         | 
    −2.0 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4167 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-761220_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5678 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6729572_3_7 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8968 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-24297_4_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8350 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-103031_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6691 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-248352_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4051 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7461023_1_1 | 
      
         | 
    −2.0 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1763 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-260816_3_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3743 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6743783_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1445 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-12929_1_1 | 
      
         | 
    −2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3252 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-65050_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5718 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-25986_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2211 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-246248_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5584 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-05798_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9288 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-98018_3_2 | 
      
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    −1.9 ± 0.4 | 
      
         
      
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| RUN9051 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-59487_3_1 | 
      
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    −1.9 ± 0.2 | 
      
         
      
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| RUN6527 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6737762_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
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| RUN2441 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1600363_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
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| RUN2241 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6734171_3_2 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
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| RUN5604 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1932780_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
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