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
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  0.3359124999999992  0.8498281899999967  0.4028276499999990
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  0.3141818699999988  0.6073254900000009  0.5861193100000008
  0.3237577700000003  0.7206198100000023  0.4437193999999991
  0.2194521099999989  0.3819188200000028  0.5804117500000032
  0.2673419999999993  0.2458524800000035  0.4639349899999985
 
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