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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  0.2018860700000005  0.6131306699999968  0.3698941399999995
  0.2180810199999996  0.5250419199999996  0.2930105299999965
  0.1064885700000033  0.5520329900000007  0.6571991900000000
  0.1471547299999969  0.6405535700000016  0.5988526800000002
  0.1026948499999989  0.5562057100000004  0.5383241400000003
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  0.2581947999999983  0.5271221100000005  0.5264139700000001
  0.2405972500000004  0.4939048099999965  0.4232192300000008
  0.1933395399999966  0.5147550300000034  0.5947083900000010
  0.4219738800000030  0.4723701300000016  0.4252334099999970
  0.4467550600000010  0.3624950700000014  0.5671248900000023
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00