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
  0.3431376999999998  0.3978277100000014  0.5403739699999974
  0.3439912999999990  0.4574253400000003  0.5754413900000017
  0.3876611199999971  0.3916620899999970  0.5081916500000005
  0.2782759600000020  0.7068465600000025  0.6655172099999973
  0.2363679799999971  0.6017234999999985  0.6792821200000034
  0.3191170600000035  0.6172496000000010  0.7222142500000004
  0.3435100599999998  0.8248510600000003  0.3964601200000004
  0.2649275099999997  0.8131109999999993  0.4527684999999977
  0.3421542600000009  0.8041151299999996  0.5140973299999985
  0.1202250400000011  0.4302357199999989  0.5690906800000022
  0.1361173000000022  0.3151416700000027  0.5826725900000014
  0.1476663400000007  0.3888055399999999  0.6729625799999965
  0.3330473999999981  0.2212180399999966  0.5594505299999994
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  0.1778671399999965  0.6955111999999986  0.5223523000000014
  0.1684721499999995  0.6329824700000017  0.4227240000000023
  0.1654260600000015  0.5784001299999986  0.5279541000000023
  0.1742162500000006  0.4578731800000000  0.3916537400000024
  0.2246509599999982  0.3850707000000000  0.3262460099999984
  0.1649932500000020  0.3395711800000001  0.4006420600000027
  0.2863740499999992  0.5031838700000009  0.3532173999999983
  0.3643931499999979  0.5068312300000031  0.4129007299999969
  0.3101038599999981  0.5148844799999992  0.4176908399999988
  0.2852506899999980  0.6336907299999979  0.6665351700000031
  0.3171886000000015  0.7887527600000013  0.4500177399999998
  0.1534810699999980  0.3817686499999979  0.6007358600000003
  0.3142994000000030  0.2015041800000006  0.4928269299999997
  0.1904820099999966  0.6316464699999997  0.4899779300000020
  0.2010664599999998  0.3943878899999973  0.3916646699999973
  0.2644131099999996  0.3760979700000036  0.4867313199999970
  0.2831069100000008  0.6121411600000002  0.4830156900000020
  0.3145584900000031  0.6016680600000015  0.5859133100000022
  0.3202312100000029  0.6959924299999969  0.4304730599999971
  0.2211002900000025  0.3952734699999993  0.5793777399999982
  0.2746552699999967  0.2699240500000002  0.4536510499999977
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00