MD JobServer / TaskServer

No title                                
   1.00000000000000     
    20.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   15.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   15.0000000000000000
   N    H    C    Si   O 
     1    23     7     2     4
Direct
  0.4555521099999993  0.7482898000000020  0.5343237499999987
  0.4205242900000030  0.7101689699999980  0.5067760000000021
  0.4375949300000030  0.7883669200000014  0.5813670900000005
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  0.3552642599999984  0.5881833899999975  0.7311616300000026
  0.5628067299999984  0.4803943200000020  0.4773912899999999
  0.5273281400000016  0.5895489600000019  0.4865450699999982
  0.5344514200000035  0.5188683000000012  0.5821486099999973
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  0.3304073299999999  0.6520889900000029  0.4652417400000033
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  0.3806839800000006  0.5150534599999972  0.5124786000000014
  0.3739210600000007  0.5079125600000012  0.6227926500000009
  0.4593642299999985  0.4859019599999996  0.4874459099999982
  0.2110870100000000  0.5063604500000025  0.5248151899999982
  0.2055583499999969  0.3451845199999966  0.4410012299999977
 
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