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
  0.3285554099999999  0.4165926200000030  0.5081631799999968
  0.3314775099999991  0.4696242200000000  0.5487731300000007
  0.3749274799999966  0.4036887399999998  0.4803350600000016
  0.2775819599999991  0.7077160999999990  0.6771605100000002
  0.2326951000000008  0.6039184799999973  0.6770941099999988
  0.3135869600000021  0.6109594599999966  0.7273992000000007
  0.3383308100000022  0.8427196299999977  0.4000106399999979
  0.2585778700000034  0.8216608600000015  0.4505694200000008
  0.3332044499999967  0.8261937799999970  0.5183483899999999
  0.1189378799999972  0.4306558299999992  0.5844385899999978
  0.1307569499999985  0.3158815700000019  0.6046869899999976
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  0.1837365700000007  0.4469916899999973  0.3867117500000035
  0.2407161499999972  0.3801034199999975  0.3284331400000013
  0.1706104000000011  0.3313243300000011  0.3773697399999989
  0.3044228199999992  0.4923223300000004  0.3708039899999989
  0.3830664700000028  0.5515715200000031  0.3994316300000023
  0.3301588699999982  0.5457024500000003  0.4109412099999972
  0.2829231300000004  0.6344641499999994  0.6705967400000006
  0.3125731000000016  0.8053547100000031  0.4532169800000005
  0.1516955299999978  0.3815762099999986  0.6151404700000001
  0.3062416900000002  0.1728798099999977  0.4984806399999968
  0.1956858699999984  0.6307437099999973  0.4856617900000018
  0.2089757199999980  0.3827469499999978  0.3877573999999981
  0.2584436400000030  0.3568783999999994  0.4886216800000014
  0.2897377399999996  0.6238169299999967  0.4822465299999976
  0.3150079500000018  0.6094860999999980  0.5891428099999985
  0.3241282799999965  0.7140790999999993  0.4382631300000028
  0.2184416200000001  0.3859768100000025  0.5823889099999988
  0.2849997599999980  0.2547408100000013  0.4590064200000015
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00