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
  0.7888081199999988  0.4030107099999967  0.5899001800000008
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  0.8286532600000029  0.4119830400000026  0.5470526599999985
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  0.1973035800000034  0.6156355500000004  0.3714054699999991
  0.2154721599999974  0.5294538599999967  0.2930613799999975
  0.1030470999999977  0.5548135499999987  0.6570607199999969
  0.1444479500000000  0.6432291200000009  0.5995183300000022
  0.0992871699999966  0.5601149199999966  0.5381650200000010
  0.4136115000000018  0.4367490400000023  0.2941438399999967
  0.4111828899999992  0.3460711399999994  0.3714881599999984
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  0.4346613399999981  0.6208193900000012  0.5590195699999967
  0.4432542699999971  0.5582080800000000  0.6590685800000031
  0.5061557499999978  0.5531035799999984  0.5756014800000031
  0.3170372700000001  0.4498148500000028  0.6414137000000011
  0.3015907899999988  0.3815125200000011  0.5481730899999988
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  0.5119653799999995  0.3432695600000031  0.5525535900000023
  0.2810796699999969  0.6492556999999977  0.5258986400000012
  0.4519284900000002  0.5571128599999966  0.5867214399999980
  0.4083648699999998  0.4601396999999992  0.5343680100000014
  0.2548762099999990  0.5290150900000015  0.5264783399999970
  0.2372433199999975  0.4962672500000025  0.4230764799999989
  0.1896167000000020  0.5166733399999970  0.5942689800000025
  0.4180834000000004  0.4750995500000030  0.4253359300000028
  0.4429258999999988  0.3642293400000014  0.5663969499999979
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00