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
  0.7176142699999986  0.4415173200000027  0.5926817900000003
  0.7397362399999992  0.4527790799999991  0.6539187699999971
  0.7581550600000000  0.4423859400000012  0.5492626899999991
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  0.2051576499999967  0.6113171399999970  0.3688076400000000
  0.2197750500000026  0.5218105900000012  0.2930452900000020
  0.1091296600000007  0.5500033300000027  0.6573338500000006
  0.1490396200000035  0.6386245799999983  0.5984610399999966
  0.1051321799999982  0.5533669300000028  0.5384587499999967
  0.4184928299999982  0.4317197700000008  0.2945683200000033
  0.4173331000000005  0.3415331499999965  0.3726161800000014
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  0.2867456999999973  0.6458782300000010  0.5248846499999971
  0.4572345400000017  0.5567323400000035  0.5860022499999999
  0.4154779599999969  0.4576694900000007  0.5348886399999984
  0.2608862000000016  0.5257016799999974  0.5263876400000029
  0.2431174499999997  0.4921214900000024  0.4230977300000021
  0.1960517999999993  0.5132686000000035  0.5951129899999970
  0.4244258599999995  0.4710486000000031  0.4255736100000007
  0.4518109699999968  0.3649372900000003  0.5683823199999978
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00