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
  0.3287786799999992  0.4383625999999978  0.4941060299999975
  0.3312355999999994  0.4676468099999980  0.5594515299999969
  0.3728804400000030  0.4007306199999974  0.4784561499999995
  0.2773729700000018  0.7078406299999997  0.6776000400000015
  0.2335144199999988  0.6033115600000016  0.6785516099999995
  0.3141897000000000  0.6124482600000007  0.7287155100000007
  0.3394559899999976  0.8366528500000001  0.3979879299999993
  0.2598984099999981  0.8173088799999988  0.4494613399999992
  0.3350868599999970  0.8190642100000005  0.5160930899999983
  0.1167266100000006  0.4306707599999982  0.5859206200000031
  0.1366822199999973  0.3184509199999965  0.6010384499999972
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  0.1818987699999965  0.4480345899999989  0.3861960699999969
  0.2394121499999997  0.3812495900000030  0.3271793500000015
  0.1685422199999991  0.3329956800000033  0.3751011000000020
  0.3003377400000034  0.4975936399999981  0.3630654999999976
  0.3806464299999988  0.5439779599999994  0.4102436800000007
  0.3264970399999996  0.5235000600000035  0.4255680300000009
  0.2832073300000033  0.6348261600000029  0.6721425200000013
  0.3135467800000029  0.8004208400000010  0.4511890599999973
  0.1525496599999983  0.3857009899999966  0.6162889200000023
  0.3101278500000006  0.1765891699999997  0.4952411499999982
  0.1946150400000022  0.6308070999999984  0.4868701500000014
  0.2070618500000023  0.3836538799999971  0.3860014999999990
  0.2494790100000017  0.3457530299999974  0.4927335900000003
  0.2873036700000000  0.6238773500000008  0.4864100500000035
  0.3154511199999988  0.6099920200000000  0.5904690099999996
  0.3237762500000017  0.7081986199999974  0.4354455699999988
  0.2179720600000010  0.4022420599999990  0.5836968300000009
  0.2991033599999966  0.2601579800000025  0.4517539699999986
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00