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
  0.4689512100000002  0.8017870999999985  0.5470272000000023
  0.4836516000000017  0.7361514400000004  0.5375615700000012
  0.4419394800000020  0.8053285800000012  0.6021268100000015
  0.4405429899999973  0.8204391100000024  0.4932001900000031
  0.4273683300000002  0.5350790899999964  0.7321541199999970
  0.4183258699999968  0.6265590399999965  0.6566430199999971
  0.3497637600000019  0.5933352799999980  0.7258767599999985
  0.5570484500000035  0.4876275499999991  0.4684236100000021
  0.5174944899999971  0.5939564800000028  0.4747333899999973
  0.5307804300000001  0.5279387200000016  0.5737078300000036
  0.1668117099999975  0.5269058499999986  0.6482269500000015
  0.1747737399999991  0.4114275700000007  0.6204275400000014
  0.2477260699999988  0.4756281299999969  0.6469954100000024
  0.1220125400000001  0.2619269699999975  0.4047738599999988
  0.1003575100000020  0.3540238900000006  0.4751078899999968
  0.1178187100000017  0.3720289999999977  0.3594963099999973
  0.3821761600000002  0.6813424899999987  0.5013723100000007
  0.3593669799999972  0.6359228500000000  0.3967582200000024
  0.3007005400000011  0.6393138099999973  0.4855423799999983
  0.1994277200000028  0.5651275399999989  0.3492462900000035
  0.2788694300000003  0.5268203799999966  0.3137447399999971
  0.2066276400000007  0.4649950900000022  0.2866147900000016
  0.3518610300000020  0.3863866299999970  0.4113012899999973
  0.3304407099999978  0.3631325099999998  0.5224367200000017
  0.3276619399999987  0.4152942699999969  0.4706920400000030
  0.3923842100000030  0.5688987500000025  0.6865501899999984
  0.5177226899999994  0.5258607499999997  0.5022280600000002
  0.1984073200000012  0.4775949599999976  0.6140150499999990
  0.1320170700000034  0.3326365499999966  0.4187808599999983
  0.3537585500000020  0.6269504799999979  0.4692586899999966
  0.2299431900000002  0.5054146599999996  0.3389108200000024
  0.2389069700000022  0.4402194500000007  0.4445409100000006
  0.3787672200000003  0.5106790399999994  0.5121440400000026
  0.3680980000000034  0.5079183499999971  0.6219493799999967
  0.4562509100000014  0.4825113500000029  0.4859128900000016
  0.2043479299999973  0.5040766099999985  0.5227856300000013
  0.2012446600000004  0.3417888399999995  0.4391940800000000
 
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  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