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
  0.6870212899999970  0.4630736399999975  0.5937569999999965
  0.7104915399999996  0.4582549000000000  0.6557350900000003
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  0.2083000000000013  0.6096636300000000  0.3677960699999971
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  0.1115398600000006  0.5479630299999982  0.6575103799999980
  0.1509332799999967  0.6367125499999986  0.5979997299999980
  0.1075430300000022  0.5505490099999975  0.5385570999999985
  0.4203227900000002  0.4297656700000019  0.2948632599999996
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  0.3287024299999999  0.4439551199999983  0.5679326099999997
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  0.2890133699999993  0.6446129400000018  0.5245736099999974
  0.4596051199999991  0.5568672100000001  0.5856966099999994
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  0.2638023700000005  0.5240008800000027  0.5266556999999992
  0.2454647599999973  0.4904874699999979  0.4234924800000002
  0.1988632099999990  0.5117462999999987  0.5953309300000029
  0.4270608300000021  0.4691537400000030  0.4256667399999969
  0.4575576800000007  0.3663126599999984  0.5706207400000025
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00