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    23     7     2     4
Direct
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  0.4318377100000035  0.6189987599999967  0.6713399100000004
  0.3693291800000011  0.5736002200000030  0.7442359799999991
  0.5854252099999968  0.4647707999999966  0.5016895400000010
  0.5477347500000036  0.5727916299999976  0.5122441400000000
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  0.2621984499999996  0.4686093400000004  0.2884006099999965
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  0.2619496800000007  0.4484369899999976  0.4521253899999991
  0.4077484000000027  0.4987053799999970  0.5278866600000001
  0.3909597199999979  0.4943250600000013  0.6361844199999993
  0.4833243400000029  0.4633412499999991  0.4988738600000033
  0.2302072700000011  0.5147602999999989  0.5299192700000006
  0.2184961500000000  0.3539445600000022  0.4459672099999992
 
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