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    23     7     2     4
Direct
  0.4609935499999978  0.7746063000000021  0.5386607200000029
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  0.4335475099999968  0.7917856799999967  0.5920708499999989
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  0.4209338900000006  0.6262116099999986  0.6600006899999968
  0.3528844699999993  0.5904997499999993  0.7288012599999973
  0.5592646200000004  0.4833475200000024  0.4735975500000009
  0.5240339899999995  0.5918049900000000  0.4810762500000010
  0.5323362700000018  0.5226581699999997  0.5783683599999989
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  0.2825996500000016  0.5325885999999969  0.3186507500000033
  0.2151761599999986  0.4645301899999978  0.2858756999999983
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  0.1346184599999987  0.3353673399999977  0.4188145299999988
  0.3443918600000018  0.6361746700000026  0.4695847099999995
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  0.2423022600000024  0.4413039599999991  0.4453772199999975
  0.3782841200000036  0.5174833299999975  0.5105466699999965
  0.3710448499999970  0.5097864199999975  0.6207840300000029
  0.4563047899999972  0.4879704700000005  0.4858923099999970
  0.2081427800000029  0.5052465799999979  0.5239173300000033
  0.2035883400000031  0.3437022000000027  0.4402534399999993
 
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