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
  0.4417447800000005  0.7255560799999969  0.5232699900000028
  0.3974789999999970  0.7272945799999988  0.4897195900000000
  0.4441643899999974  0.7664159799999979  0.5777274100000014
  0.4760229800000033  0.7589173200000019  0.4881260699999999
  0.4369608800000009  0.5316038699999979  0.7366381000000004
  0.4243666599999969  0.6238314499999973  0.6626778299999998
  0.3576829100000012  0.5858078099999986  0.7336762300000004
  0.5670876499999977  0.4777853900000011  0.4814281800000018
  0.5304092000000011  0.5865365800000006  0.4909818300000026
  0.5369056899999975  0.5151116199999990  0.5861037000000024
  0.1769415500000022  0.5328828000000030  0.6509921299999988
  0.1797099599999967  0.4171681300000003  0.6226327999999981
  0.2551171100000005  0.4751815500000021  0.6506468899999973
  0.1276018000000008  0.2689706800000025  0.4069767100000021
  0.1066820100000001  0.3642343799999992  0.4733431599999989
  0.1272831799999992  0.3776929200000012  0.3580212000000031
  0.3319341300000005  0.7222104900000019  0.5067919099999969
  0.3227336699999981  0.7016171599999979  0.3897684499999983
  0.2599609199999975  0.6745271699999975  0.4746836300000012
  0.2022691199999969  0.5594659799999988  0.3461773599999987
  0.2876398699999996  0.5416671199999996  0.3266074200000020
  0.2285289200000022  0.4642603899999997  0.2852379600000035
  0.3599230900000023  0.3847012499999991  0.4136214999999979
  0.3364840300000012  0.3583230500000028  0.5241320900000019
  0.3353474500000004  0.4121140000000025  0.4735659199999986
  0.4005035899999996  0.5649733799999979  0.6926070900000028
  0.5273939300000023  0.5172182700000008  0.5136761699999965
  0.2063904099999974  0.4812858000000020  0.6166569299999978
  0.1390277499999968  0.3396903300000034  0.4190403099999997
  0.3133976399999980  0.6747969299999994  0.4577758300000028
  0.2405425700000023  0.5079166000000015  0.3412424300000012
  0.2475579800000034  0.4438148899999987  0.4471163099999984
  0.3857659100000035  0.5089912700000028  0.5159461399999969
  0.3771519200000029  0.5049880400000006  0.6257094600000030
  0.4639313200000004  0.4810164299999968  0.4895581099999973
  0.2139660100000000  0.5074774799999986  0.5257643899999991
  0.2077378199999984  0.3469819700000016  0.4418205999999998
 
  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
  0.00000000E+00  0.00000000E+00  0.00000000E+00