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
  0.7407307300000028  0.4284419499999998  0.5915550799999991
  0.7621171199999992  0.4451042600000008  0.6527136300000009
  0.7814931400000020  0.4325168299999973  0.5485050799999982
  0.1479229799999970  0.5181997199999984  0.3659849699999995
  0.2026895999999994  0.6127726899999999  0.3696394500000011
  0.2184423300000020  0.5241979799999967  0.2930679999999981
  0.1071522800000011  0.5515990399999993  0.6572082400000028
  0.1475678999999985  0.6401209499999965  0.5987546699999982
  0.1033037899999982  0.5555328599999996  0.5383785399999965
  0.4169268300000013  0.4333922900000005  0.2944740300000035
  0.4152955699999978  0.3430488799999978  0.3724328699999973
  0.3426406099999966  0.4120637700000032  0.3580260000000024
  0.5273790500000004  0.2757825099999991  0.5736991799999984
  0.5301279099999974  0.3492121700000013  0.4793937499999998
  0.5515557499999986  0.3892917800000006  0.5880421299999981
  0.2441690400000027  0.6918470800000023  0.5047037699999990
  0.3011837499999999  0.6683677400000008  0.5920110599999973
  0.3268348100000011  0.6574924100000032  0.4788505699999988
  0.4379312599999992  0.6205319900000035  0.5587433099999970
  0.4471055200000009  0.5577415899999991  0.6589097399999986
  0.5100316700000036  0.5533437799999987  0.5750594399999969
  0.3212801399999989  0.4472803800000023  0.6415389100000013
  0.3063302199999995  0.3793560800000009  0.5477975200000031
  0.3230074200000033  0.4465567100000030  0.5679448599999972
  0.2006006800000009  0.5396836700000023  0.3608140600000027
  0.1357189399999967  0.5681972100000010  0.5967170400000015
  0.3978762400000022  0.4117689400000017  0.3597802500000000
  0.5176791499999993  0.3445244899999977  0.5509719000000004
  0.2848991199999986  0.6469319699999971  0.5252136399999969
  0.4556734900000023  0.5568633199999979  0.5863557699999973
  0.4130338399999971  0.4584928200000036  0.5347019700000004
  0.2589749799999979  0.5267463899999996  0.5265378400000031
  0.2411308900000009  0.4934265099999990  0.4233870500000023
  0.1941341100000002  0.5144259099999999  0.5948407200000005
  0.4222371600000017  0.4727121499999996  0.4253134200000019
  0.4490780000000001  0.3647581000000031  0.5678411900000029
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00