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
  0.7911293599999993  0.4029370900000018  0.5909969499999974
  0.8078447600000018  0.4282094900000004  0.6489594800000020
  0.8298055899999994  0.4112835999999973  0.5466209699999993
  0.1442290499999999  0.5195289500000015  0.3642184200000003
  0.1969503300000000  0.6156422800000030  0.3716513299999988
  0.2153183499999969  0.5299454900000029  0.2931997399999986
  0.1028156400000029  0.5550495800000022  0.6569811800000025
  0.1443553599999987  0.6434077299999998  0.5995046299999984
  0.0991689000000022  0.5603857099999985  0.5381701399999983
  0.4135280400000028  0.4368682599999971  0.2939311000000018
  0.4112224900000001  0.3460245699999973  0.3712204300000010
  0.3387914600000030  0.4152572100000000  0.3562710599999974
  0.5176919499999997  0.2713254700000007  0.5727367499999971
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  0.2406100899999970  0.6946008299999988  0.5049975900000021
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  0.4344618100000019  0.6199880699999980  0.5586054700000034
  0.4428643399999999  0.5577845800000034  0.6591433999999978
  0.5061273999999969  0.5522266500000015  0.5759089399999979
  0.3168618699999968  0.4501956499999977  0.6413157200000015
  0.3011748099999991  0.3815603299999992  0.5482628099999971
  0.3181754200000029  0.4488262300000017  0.5677490100000000
  0.1963591399999984  0.5429852099999977  0.3607082199999994
  0.1315020799999971  0.5718785600000018  0.5967072299999998
  0.3939166099999980  0.4147751599999978  0.3587478199999978
  0.5086754100000022  0.3396014699999981  0.5508904000000001
  0.2809324899999979  0.6492998700000001  0.5260175499999988
  0.4518023500000012  0.5564150000000012  0.5867752999999993
  0.4078387100000000  0.4601677300000020  0.5340272600000020
  0.2545235199999993  0.5292640099999986  0.5264058899999995
  0.2370398500000022  0.4963703600000002  0.4230255499999984
  0.1893262800000031  0.5168716599999996  0.5941967999999989
  0.4179177199999984  0.4750103599999989  0.4251974599999997
  0.4417738000000000  0.3635458199999988  0.5659210900000033
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00