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
  0.6642863300000030  0.4787888700000025  0.5952724200000006
  0.6836382099999980  0.4574711500000035  0.6559379099999987
  0.6957532500000028  0.4479985600000020  0.5490715199999983
  0.1531094500000023  0.5164691100000027  0.3679072700000035
  0.2101153500000024  0.6085793299999978  0.3669228400000009
  0.2225768400000021  0.5168824200000017  0.2931232099999974
  0.1129604999999998  0.5468115500000010  0.6573886400000006
  0.1518568999999985  0.6355204299999997  0.5977435300000025
  0.1088268499999998  0.5489584800000031  0.5386941499999978
  0.4214156500000001  0.4283575400000004  0.2948991000000021
  0.4209980600000023  0.3380699800000002  0.3725107200000011
  0.3481457299999988  0.4071851300000020  0.3599846999999983
  0.5435357699999983  0.2810298200000005  0.5745594999999994
  0.5404549499999973  0.3511495699999969  0.4756088700000021
  0.5699831399999979  0.3911966200000023  0.5778737799999973
  0.2491396100000003  0.6880177700000019  0.5044876999999985
  0.3072044299999988  0.6655183600000001  0.5907444500000025
  0.3317195799999979  0.6544869000000020  0.4771817700000014
  0.4431323000000020  0.6211813199999980  0.5587604999999982
  0.4527349299999983  0.5560598300000024  0.6584739299999995
  0.5154768200000035  0.5522244200000017  0.5748701999999994
  0.3273155899999978  0.4434596799999966  0.6412757499999984
  0.3124671500000034  0.3760001899999992  0.5472918999999976
  0.3310470699999968  0.4423920699999968  0.5678030400000011
  0.2061422399999984  0.5354096200000029  0.3606443199999987
  0.1411851700000000  0.5632640400000000  0.5965830800000020
  0.4032356000000021  0.4067527799999979  0.3607242100000008
  0.5318594100000027  0.3482539600000010  0.5488860000000031
  0.2904438999999996  0.6437113400000030  0.5243732100000003
  0.4612256200000004  0.5577696499999973  0.5859385400000008
  0.4220178200000007  0.4575744699999973  0.5358041200000017
  0.2653628999999995  0.5230099199999998  0.5265019699999982
  0.2468657100000016  0.4894963799999985  0.4235412600000004
  0.2006429400000016  0.5108140500000005  0.5953094199999995
  0.4289375000000035  0.4670351199999985  0.4261293899999998
  0.4684427700000029  0.3754265099999969  0.5770866599999991
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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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
  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