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
  0.7888764400000028  0.4030373399999974  0.5903519200000034
  0.8071689200000023  0.4289931499999966  0.6495435599999979
  0.8288886300000016  0.4120017899999979  0.5468794900000020
  0.1443044600000007  0.5194979799999970  0.3644177400000004
  0.1972435200000007  0.6156418899999991  0.3714396600000001
  0.2154538599999967  0.5295380700000010  0.2931034499999967
  0.1030321300000026  0.5548647500000001  0.6570158700000022
  0.1444250799999978  0.6432502999999983  0.5995224799999974
  0.0992884899999993  0.5601584599999967  0.5381930900000000
  0.4136101900000000  0.4367503200000016  0.2940454299999971
  0.4112209399999998  0.3459741400000027  0.3713983299999981
  0.3388738700000005  0.4153764200000012  0.3564858200000032
  0.5201291999999995  0.2738055399999979  0.5731368900000007
  0.5258975899999996  0.3496932299999997  0.4815907999999993
  0.5454905300000021  0.3868195700000001  0.5920355299999969
  0.2406887200000014  0.6944726400000008  0.5049312100000023
  0.2968640100000002  0.6702772599999989  0.5929912499999972
  0.3233876500000008  0.6595409199999978  0.4802048299999981
  0.4346533000000008  0.6209140500000032  0.5589265099999992
  0.4431741000000002  0.5580886300000003  0.6591497699999991
  0.5061766000000034  0.5528771600000013  0.5756435400000015
  0.3170138400000013  0.4498532499999968  0.6414521800000017
  0.3014942599999983  0.3814501800000016  0.5481877599999976
  0.3186480000000032  0.4486980499999973  0.5678260399999999
  0.1965318800000020  0.5428216000000035  0.3607007000000024
  0.1316599900000028  0.5716633600000023  0.5966991600000000
  0.3940383300000008  0.4148617099999967  0.3590341199999969
  0.5120202700000007  0.3434425900000022  0.5523675499999996
  0.2810685500000005  0.6492732800000027  0.5259173399999995
  0.4518611100000030  0.5570633099999966  0.5866824399999970
  0.4084430300000008  0.4600325099999978  0.5343543700000026
  0.2547833900000001  0.5291355700000011  0.5264263799999966
  0.2372117800000026  0.4962815499999991  0.4230260499999972
  0.1895404799999980  0.5166958000000008  0.5942835500000001
  0.4180435800000026  0.4750316800000007  0.4253832500000030
  0.4430493099999993  0.3644488400000014  0.5665615799999983
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00