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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  0.0992743099999984  0.5601828100000006  0.5381924699999985
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  0.2372060499999975  0.4962963600000023  0.4230456900000021
  0.1895371299999979  0.5167128900000009  0.5942531600000009
  0.4180671100000026  0.4751174100000028  0.4253561900000022
  0.4433651399999974  0.3646791199999981  0.5666479799999991
 
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