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
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  0.4137567900000008  0.7230542900000003  0.5652619099999967
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  0.3601854099999997  0.5836372899999986  0.7374538600000022
  0.5743467400000029  0.4751971700000013  0.4857148600000016
  0.5334652499999990  0.5827756999999991  0.4961106299999969
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  0.3129414699999984  0.7255027799999993  0.4566004400000025
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  0.2508131399999982  0.4455709499999969  0.4484379900000022
  0.3981813799999969  0.5047057900000027  0.5236122499999993
  0.3803759199999988  0.5024509400000028  0.6301942600000032
  0.4722524100000030  0.4714418100000017  0.4922146500000011
  0.2176822300000012  0.5096241199999980  0.5267514199999965
  0.2106362299999986  0.3490141899999983  0.4429290100000003
 
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