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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  0.7236850900000036  0.4581799899999979  0.6543107800000030
  0.7419298100000020  0.4493358200000017  0.5491528000000017
  0.1508308599999992  0.5172750899999983  0.3668048199999987
  0.2066962800000027  0.6103753599999990  0.3681307900000022
  0.2206934900000022  0.5203287499999973  0.2930957900000024
  0.1100809499999968  0.5490769999999969  0.6573992300000029
  0.1498964900000033  0.6376945399999983  0.5982053299999990
  0.1061911299999991  0.5521027400000023  0.5385116799999992
  0.4194871699999965  0.4304601500000018  0.2944498499999995
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  0.4500873699999985  0.5558150999999967  0.6586940099999978
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  0.3242844099999971  0.4457632200000035  0.6412163199999981
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  0.5136102499999993  0.3339916899999977  0.5457354999999993
  0.2878562799999997  0.6452534399999976  0.5247702899999993
  0.4587978799999988  0.5548576400000016  0.5862495200000026
  0.4153401599999995  0.4583676000000025  0.5340555900000012
  0.2618096200000011  0.5250750000000011  0.5264357000000004
  0.2440927299999984  0.4914150800000030  0.4234025000000017
  0.1972225299999977  0.5126696299999978  0.5951406200000022
  0.4259065600000014  0.4697944899999982  0.4251931000000013
  0.4508306700000020  0.3621953600000012  0.5683344099999985
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00