water simulation - 256 SPC                                                      
         0         3       768
timestep        10       768         0         3    0.001000
   19.66      0.0000      0.0000    
  0.0000       19.66      0.0000    
  0.0000      0.0000       19.66    
OW               1   16.000000   -0.820000
  7.4279E+00 -3.5551E+00 -2.1441E+00
HW               2    1.000000    0.410000
  6.9213E+00 -3.3283E+00 -2.9759E+00
HW               3    1.000000    0.410000
  8.3047E+00 -3.0743E+00 -2.1463E+00
OW               4   16.000000   -0.820000
  5.5531E+00  5.3011E+00 -2.6799E-01
HW               5    1.000000    0.410000
  4.7107E+00  4.7636E+00 -2.3091E-01
HW               6    1.000000    0.410000
  5.8608E+00  5.3735E+00 -1.2167E+00
OW               7   16.000000   -0.820000
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HW               8    1.000000    0.410000
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HW               9    1.000000    0.410000
  5.8517E+00 -3.5760E+00  5.4530E+00
OW              10   16.000000   -0.820000
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HW              11    1.000000    0.410000
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HW              12    1.000000    0.410000
  4.1184E-02  1.9436E+00 -7.4111E+00
OW              13   16.000000   -0.820000
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HW              14    1.000000    0.410000
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HW              15    1.000000    0.410000
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OW              16   16.000000   -0.820000
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HW              17    1.000000    0.410000
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HW              18    1.000000    0.410000
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OW              19   16.000000   -0.820000
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HW              20    1.000000    0.410000
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HW              21    1.000000    0.410000
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OW              22   16.000000   -0.820000
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HW              23    1.000000    0.410000
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HW              24    1.000000    0.410000
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OW              25   16.000000   -0.820000
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HW              26    1.000000    0.410000
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HW              27    1.000000    0.410000
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OW              28   16.000000   -0.820000
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HW              29    1.000000    0.410000
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HW              30    1.000000    0.410000
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OW              31   16.000000   -0.820000
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HW              32    1.000000    0.410000
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HW              33    1.000000    0.410000
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OW              34   16.000000   -0.820000
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HW              35    1.000000    0.410000
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HW              36    1.000000    0.410000
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OW              37   16.000000   -0.820000
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HW              38    1.000000    0.410000
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HW              39    1.000000    0.410000
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OW              40   16.000000   -0.820000
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HW              41    1.000000    0.410000
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HW              42    1.000000    0.410000
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OW              43   16.000000   -0.820000
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HW              44    1.000000    0.410000
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HW              45    1.000000    0.410000
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OW              46   16.000000   -0.820000
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HW              47    1.000000    0.410000
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HW              48    1.000000    0.410000
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OW              49   16.000000   -0.820000
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HW              50    1.000000    0.410000
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HW              51    1.000000    0.410000
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OW              52   16.000000   -0.820000
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HW              53    1.000000    0.410000
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HW              54    1.000000    0.410000
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OW              55   16.000000   -0.820000
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HW              56    1.000000    0.410000
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HW              57    1.000000    0.410000
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OW              58   16.000000   -0.820000
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HW              59    1.000000    0.410000
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HW              60    1.000000    0.410000
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OW              61   16.000000   -0.820000
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HW              62    1.000000    0.410000
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HW              63    1.000000    0.410000
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OW              64   16.000000   -0.820000
  2.2407E+00  5.2091E+00  7.7839E+00
HW              65    1.000000    0.410000
  3.1463E+00  4.8386E+00  7.9902E+00
HW              66    1.000000    0.410000
  1.8760E+00  4.7625E+00  6.9669E+00
OW              67   16.000000   -0.820000
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HW              68    1.000000    0.410000
 -8.4206E-01  1.9797E+00 -2.1478E+00
HW              69    1.000000    0.410000
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OW              70   16.000000   -0.820000
 -8.7227E+00  9.0417E+00  5.9858E+00
HW              71    1.000000    0.410000
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HW              72    1.000000    0.410000
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OW              73   16.000000   -0.820000
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HW              74    1.000000    0.410000
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HW              75    1.000000    0.410000
 -3.0700E+00 -7.4077E+00 -3.5032E+00
OW              76   16.000000   -0.820000
  6.4665E-01 -9.3000E+00  1.7989E+00
HW              77    1.000000    0.410000
  1.3368E+00 -8.5770E+00  1.7675E+00
HW              78    1.000000    0.410000
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OW              79   16.000000   -0.820000
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HW              80    1.000000    0.410000
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HW              81    1.000000    0.410000
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OW              82   16.000000   -0.820000
  9.6958E+00 -1.1396E+00  1.1536E+00
HW              83    1.000000    0.410000
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HW              84    1.000000    0.410000
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OW              85   16.000000   -0.820000
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HW              86    1.000000    0.410000
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HW              87    1.000000    0.410000
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OW              88   16.000000   -0.820000
  4.2330E+00  6.9878E+00  1.9595E+00
HW              89    1.000000    0.410000
  5.2265E+00  6.8737E+00  1.9584E+00
HW              90    1.000000    0.410000
  3.8729E+00  6.7830E+00  1.0494E+00
OW              91   16.000000   -0.820000
  7.2904E+00  2.8750E+00  3.1414E+00
HW              92    1.000000    0.410000
  6.5572E+00  2.3221E+00  2.7455E+00
HW              93    1.000000    0.410000
  7.6655E+00  2.4074E+00  3.9418E+00
OW              94   16.000000   -0.820000
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HW              95    1.000000    0.410000
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HW              96    1.000000    0.410000
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OW              97   16.000000   -0.820000
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HW              98    1.000000    0.410000
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HW              99    1.000000    0.410000
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OW             100   16.000000   -0.820000
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HW             101    1.000000    0.410000
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HW             102    1.000000    0.410000
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OW             103   16.000000   -0.820000
  9.0022E+00  4.3731E+00 -2.1956E+00
HW             104    1.000000    0.410000
  8.0329E+00  4.2350E+00 -2.3990E+00
HW             105    1.000000    0.410000
  9.5434E+00  4.2004E+00 -3.0186E+00
OW             106   16.000000   -0.820000
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HW             107    1.000000    0.410000
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HW             108    1.000000    0.410000
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OW             109   16.000000   -0.820000
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HW             110    1.000000    0.410000
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HW             111    1.000000    0.410000
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OW             112   16.000000   -0.820000
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HW             113    1.000000    0.410000
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HW             114    1.000000    0.410000
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OW             115   16.000000   -0.820000
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HW             116    1.000000    0.410000
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HW             117    1.000000    0.410000
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OW             118   16.000000   -0.820000
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HW             119    1.000000    0.410000
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HW             120    1.000000    0.410000
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OW             121   16.000000   -0.820000
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HW             122    1.000000    0.410000
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HW             123    1.000000    0.410000
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OW             124   16.000000   -0.820000
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HW             125    1.000000    0.410000
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HW             126    1.000000    0.410000
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OW             127   16.000000   -0.820000
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HW             128    1.000000    0.410000
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HW             129    1.000000    0.410000
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OW             130   16.000000   -0.820000
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HW             131    1.000000    0.410000
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HW             132    1.000000    0.410000
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OW             133   16.000000   -0.820000
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HW             134    1.000000    0.410000
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HW             135    1.000000    0.410000
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OW             136   16.000000   -0.820000
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HW             137    1.000000    0.410000
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HW             138    1.000000    0.410000
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OW             139   16.000000   -0.820000
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HW             140    1.000000    0.410000
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HW             141    1.000000    0.410000
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OW             142   16.000000   -0.820000
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HW             143    1.000000    0.410000
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HW             144    1.000000    0.410000
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OW             145   16.000000   -0.820000
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HW             146    1.000000    0.410000
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HW             147    1.000000    0.410000
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OW             148   16.000000   -0.820000
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HW             149    1.000000    0.410000
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HW             150    1.000000    0.410000
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OW             151   16.000000   -0.820000
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HW             152    1.000000    0.410000
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HW             153    1.000000    0.410000
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OW             154   16.000000   -0.820000
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HW             155    1.000000    0.410000
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HW             156    1.000000    0.410000
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OW             157   16.000000   -0.820000
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HW             158    1.000000    0.410000
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HW             159    1.000000    0.410000
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OW             160   16.000000   -0.820000
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HW             161    1.000000    0.410000
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HW             162    1.000000    0.410000
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OW             163   16.000000   -0.820000
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HW             164    1.000000    0.410000
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HW             165    1.000000    0.410000
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OW             166   16.000000   -0.820000
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HW             167    1.000000    0.410000
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HW             168    1.000000    0.410000
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OW             169   16.000000   -0.820000
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HW             171    1.000000    0.410000
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OW             187   16.000000   -0.820000
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OW             199   16.000000   -0.820000
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HW             200    1.000000    0.410000
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HW             201    1.000000    0.410000
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HW             722    1.000000    0.410000
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HW             723    1.000000    0.410000
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OW             724   16.000000   -0.820000
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HW             725    1.000000    0.410000
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HW             726    1.000000    0.410000
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HW             728    1.000000    0.410000
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HW             729    1.000000    0.410000
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HW             731    1.000000    0.410000
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HW             734    1.000000    0.410000
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OW             736   16.000000   -0.820000
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HW             737    1.000000    0.410000
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HW             738    1.000000    0.410000
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OW             739   16.000000   -0.820000
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HW             740    1.000000    0.410000
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HW             741    1.000000    0.410000
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OW             742   16.000000   -0.820000
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HW             743    1.000000    0.410000
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HW             744    1.000000    0.410000
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OW             745   16.000000   -0.820000
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HW             746    1.000000    0.410000
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HW             755    1.000000    0.410000
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OW             760   16.000000   -0.820000
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HW             761    1.000000    0.410000
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HW             762    1.000000    0.410000
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HW             764    1.000000    0.410000
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HW             765    1.000000    0.410000
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OW             766   16.000000   -0.820000
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HW             767    1.000000    0.410000
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HW             768    1.000000    0.410000
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