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
  0.6903401699999989  0.4603537099999997  0.5937445499999967
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  0.7297217500000031  0.4497257800000014  0.5498166300000022
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  0.2079475299999984  0.6097941399999982  0.3678062199999985
  0.2213503700000032  0.5190733000000023  0.2931008099999985
  0.1112974099999988  0.5482577000000006  0.6573846499999974
  0.1506453100000016  0.6369018600000018  0.5980822799999999
  0.1072766200000004  0.5508971300000027  0.5386142500000020
  0.4201917099999974  0.4299376600000002  0.2948937600000008
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  0.2888270199999994  0.6446109600000014  0.5246053400000008
  0.4595101399999990  0.5573351399999993  0.5859781099999992
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  0.2629052500000029  0.5244240000000033  0.5264135199999984
  0.2453251100000031  0.4907662199999976  0.4234699699999993
  0.1985960100000028  0.5120029699999975  0.5953822800000026
  0.4270609900000011  0.4696678999999975  0.4255283800000029
  0.4580603300000021  0.3656123399999984  0.5701294200000007
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00