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    23     7     2     4
Direct
  0.4338420500000026  0.7039507100000009  0.5137604399999987
  0.3870020499999995  0.7116556100000011  0.4861645900000013
  0.4268945399999993  0.7407859799999983  0.5775714099999973
  0.4680386499999969  0.7293502799999985  0.4679604800000021
  0.4401196800000022  0.5307135099999982  0.7386591300000021
  0.4262667699999980  0.6226941700000026  0.6650575399999994
  0.3601137899999998  0.5835315200000011  0.7363991499999969
  0.5717501600000006  0.4754417400000008  0.4855856200000019
  0.5340701300000035  0.5838270899999998  0.4955998800000003
  0.5395076399999965  0.5113977999999975  0.5901007000000007
  0.1800798700000001  0.5347109000000003  0.6517327800000032
  0.1812884799999992  0.4189934799999975  0.6231131799999972
  0.2573538600000020  0.4750026899999966  0.6518501999999984
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  0.1302711299999970  0.3794005600000006  0.3576528400000001
  0.3234945600000003  0.7494103699999997  0.5033265799999995
  0.3091113500000020  0.7304320799999999  0.3855963199999977
  0.2505126399999966  0.6912436300000024  0.4730647000000019
  0.2034091900000021  0.5574168999999998  0.3449734300000031
  0.2898079200000012  0.5464183899999995  0.3306356100000016
  0.2354811699999999  0.4645564100000001  0.2852665799999983
  0.3625342699999976  0.3845898900000009  0.4142323499999989
  0.3381666000000010  0.3572100199999966  0.5247065399999968
  0.3380391500000002  0.4112728699999977  0.4745339299999998
  0.4030394999999984  0.5633495200000027  0.6951567099999991
  0.5314776100000032  0.5139597100000017  0.5174327499999976
  0.2088987899999992  0.4824624199999974  0.6174532400000032
  0.1413494900000032  0.3418894400000028  0.4191800899999976
  0.3017640500000027  0.7051319699999965  0.4540541599999983
  0.2438777200000004  0.5088011899999998  0.3420310699999973
  0.2503115000000022  0.4451595999999967  0.4480232800000010
  0.3916423100000017  0.5035432199999974  0.5194024899999974
  0.3802642200000008  0.5027327499999998  0.6286264599999996
  0.4692299299999974  0.4759528299999971  0.4915924499999988
  0.2172359500000027  0.5088285100000007  0.5267733900000025
  0.2099798100000001  0.3486297999999977  0.4427514699999975
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00