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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  0.2226776099999981  0.5166836200000020  0.2930257499999982
  0.1127279900000033  0.5468779699999970  0.6575292099999999
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  0.1086989000000003  0.5489746499999981  0.5386585899999972
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  0.4614284100000035  0.5550219699999985  0.5860145400000007
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  0.2646576599999975  0.5235149800000016  0.5264962400000002
  0.2466985900000012  0.4896794000000000  0.4236000599999983
  0.2002217900000005  0.5111029700000032  0.5955315400000032
  0.4288520500000033  0.4676409799999988  0.4253689600000001
  0.4582438699999969  0.3649019300000020  0.5711937199999966
 
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