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
  0.6628733599999990  0.4751058800000010  0.5970247300000011
  0.6830363099999985  0.4626039300000002  0.6554752999999991
  0.6959159499999998  0.4538900399999974  0.5492008800000008
  0.1533045999999985  0.5164070800000005  0.3678320400000032
  0.2104648999999981  0.6084833000000032  0.3666956100000007
  0.2227937299999994  0.5165220800000014  0.2929867400000035
  0.1128258999999971  0.5467985000000013  0.6575674300000003
  0.1519356599999995  0.6355106000000035  0.5976825500000018
  0.1088185999999993  0.5488800600000019  0.5386493900000033
  0.4217333699999983  0.4280333999999968  0.2946120499999978
  0.4214887700000034  0.3382137999999983  0.3729080900000028
  0.3483979599999998  0.4068285099999969  0.3599018900000033
  0.5313891099999992  0.2700998700000028  0.5740151099999977
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  0.2494205200000010  0.6883641699999998  0.5044117899999989
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  0.4432756100000006  0.6176571800000019  0.5585281999999978
  0.4530113599999979  0.5550282600000003  0.6585296100000022
  0.5158515500000007  0.5508664199999984  0.5746688400000011
  0.3270344199999968  0.4440788799999993  0.6412747700000025
  0.3123699000000002  0.3765190299999972  0.5471957000000032
  0.3289399599999996  0.4436478399999970  0.5677449300000035
  0.2063176500000026  0.5353637999999989  0.3603999999999985
  0.1409351200000017  0.5633679600000008  0.5967403100000013
  0.4034996099999972  0.4065930800000004  0.3603578099999964
  0.5163758500000029  0.3319763900000012  0.5438103999999981
  0.2905000200000032  0.6437574500000025  0.5243243700000022
  0.4615630400000015  0.5543125900000021  0.5860617200000036
  0.4182893899999982  0.4575641599999969  0.5341585999999978
  0.2646131199999999  0.5235156899999964  0.5265027599999996
  0.2468069299999982  0.4895792599999993  0.4236026199999969
  0.2002556600000034  0.5110651199999978  0.5955726199999987
  0.4289876699999979  0.4677376400000028  0.4252144399999978
  0.4541620500000008  0.3622307699999965  0.5695805100000015
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00