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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  0.2458559499999993  0.4901762599999984  0.4234967399999974
  0.1991966000000005  0.5116191199999989  0.5953765699999991
  0.4279037700000003  0.4684905200000031  0.4251920100000035
  0.4530948900000027  0.3618577399999978  0.5689377500000035
 
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