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    22     7     2     4
Direct
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  0.3380208499999995  0.8427007299999971  0.4009617000000034
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  0.3322465099999974  0.8270280300000010  0.5194392800000003
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  0.3141017299999973  0.6044935700000025  0.5853958100000014
  0.3223898299999988  0.7137402999999978  0.4397779800000023
  0.2203975099999980  0.3866843200000005  0.5804139600000013
  0.2648007800000016  0.2501190999999992  0.4628675499999986
 
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