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
  0.7192195499999983  0.4402794800000009  0.5920101299999985
  0.7416514700000008  0.4524560500000021  0.6543058999999971
  0.7600665000000006  0.4418622399999990  0.5492921600000003
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  0.2048644500000023  0.6115629299999981  0.3687933300000026
  0.2196632599999973  0.5220851300000007  0.2929500799999971
  0.1087908900000016  0.5502540199999970  0.6572986199999988
  0.1487704999999977  0.6388590700000023  0.5985084000000001
  0.1049059099999994  0.5536321200000032  0.5385163899999981
  0.4183266699999990  0.4317933900000028  0.2945456899999996
  0.4171821400000013  0.3416044599999992  0.3723962400000005
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  0.5115374499999987  0.5521111999999988  0.5750517399999993
  0.3230407499999970  0.4462812399999976  0.6412385900000004
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  0.3249099000000015  0.4454825400000004  0.5677823099999983
  0.2022209399999966  0.5384324899999982  0.3606528199999985
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  0.3995376399999984  0.4101647900000032  0.3599486299999981
  0.5208012699999998  0.3443250300000003  0.5495926999999980
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  0.4573224700000011  0.5570047900000006  0.5863575500000024
  0.4146738900000031  0.4593250100000006  0.5346878399999966
  0.2607525800000019  0.5254866800000002  0.5264943199999976
  0.2429212999999990  0.4922519699999981  0.4233462199999991
  0.1959999199999984  0.5133739400000010  0.5948834800000000
  0.4241947200000027  0.4711219300000025  0.4253019000000009
  0.4527470299999976  0.3661445899999975  0.5710410000000010
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00