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
  0.8129325800000018  0.3911437000000006  0.5901544800000025
  0.8288846800000016  0.4207168699999997  0.6476216599999987
  0.8517745400000010  0.4017705500000019  0.5459880100000021
  0.1425786000000002  0.5200924099999966  0.3635718199999971
  0.1945138499999999  0.6169590100000022  0.3725314599999976
  0.2139745599999969  0.5323496800000029  0.2932257300000032
  0.1009993099999988  0.5565427299999968  0.6568766700000026
  0.1429700699999970  0.6448360300000004  0.5998294500000014
  0.0974133400000028  0.5624564599999999  0.5380847500000030
  0.4120382600000028  0.4384702899999979  0.2938014200000012
  0.4093473499999973  0.3474408000000011  0.3708890899999986
  0.3370473100000027  0.4167940900000033  0.3556070200000008
  0.5153646199999997  0.2717845399999987  0.5726639399999982
  0.5241093599999971  0.3508212500000027  0.4829802200000017
  0.5461251099999984  0.3891364099999990  0.5957322900000008
  0.2390085799999966  0.6957239299999998  0.5051042999999993
  0.2947403100000017  0.6712022600000012  0.5935660999999968
  0.3217540899999989  0.6605222999999967  0.4809810499999969
  0.4329069200000006  0.6204242399999984  0.5586302899999964
  0.4410585899999973  0.5582769499999998  0.6592557499999998
  0.5043697899999984  0.5524761200000015  0.5760826599999973
  0.3150062300000016  0.4513037600000018  0.6413405699999970
  0.2991562099999996  0.3824905700000016  0.5484688199999965
  0.3162365800000018  0.4497749100000021  0.5677696999999995
  0.1945608500000020  0.5443663900000004  0.3607604600000016
  0.1297888599999979  0.5734138400000006  0.5967001799999991
  0.3921744800000013  0.4162589700000012  0.3584494300000003
  0.5074417000000011  0.3410039099999977  0.5521791199999981
  0.2792015400000025  0.6503114799999992  0.5263293699999991
  0.4500534700000003  0.5568043299999985  0.5869067499999971
  0.4059633500000004  0.4606177599999981  0.5340201799999988
  0.2527019999999993  0.5303112599999977  0.5263984300000004
  0.2352766300000013  0.4976091799999978  0.4229313100000027
  0.1873522100000002  0.5179221699999985  0.5939608500000020
  0.4159205099999994  0.4763143300000010  0.4251985399999967
  0.4395095900000001  0.3638834400000022  0.5653177499999984
 
  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
  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
  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
  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
  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
  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
  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
  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
  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
  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
  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
  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