REAL300017615546.mol2 36                                                        
   1       C    -0.17    -2.19     8.49      71.98       0.61    -1.57     16
   2       C    -0.13    -2.21     5.60      30.59       0.17    -2.04     16
   3       C     0.18     4.97     1.93      44.99       0.09     5.05     16
   4       H     0.08     2.46     7.35      -2.39      -0.02     2.44     16
   5       C    -0.18    -7.17     5.46      29.85       0.16    -7.01     16
   6       C     0.45    26.63     7.92      71.23       0.56    27.20     16
   7       O    -0.68   -42.37    13.01      26.26       0.34   -42.02     16
   8       O    -0.77   -54.31    18.00      19.04       0.34   -53.96     16
   9       N    -1.09   -28.45     4.29    -169.37      -0.73   -29.17     16
  10       S     2.70    72.71     5.54     -56.49      -0.31    72.39     16
  11       O    -0.98   -28.55    17.44    -128.00      -2.23   -30.78     16
  12       O    -0.93   -36.45    13.43    -118.72      -1.59   -38.04     16
  13       C    -0.67    -9.99     3.81      22.27       0.08    -9.91     16
  14       C     0.05     0.64     7.66      22.27       0.17     0.81     16
  15       C    -0.12    -1.57     8.50      22.27       0.19    -1.38     16
  16       C     0.39     6.18     4.82      22.27       0.11     6.29     16
  17       F    -0.21    -7.86    16.66      44.97       0.75    -7.11     16
  18       F    -0.15    -4.14    15.31      44.97       0.69    -3.45     16
  19       F    -0.17    -4.88    15.31      44.97       0.69    -4.19     16
  20       F    -0.16    -4.59    15.31      44.97       0.69    -3.90     16
  21       F    -0.16    -4.42    15.31      44.97       0.69    -3.73     16
  22       C    -0.12    -1.19     8.62      22.27       0.19    -1.00     16
  23       C     0.06     0.50     7.90      22.27       0.18     0.68     16
  24       H     0.06     0.61     4.91      -2.39      -0.01     0.60     16
  25       H     0.06     0.67     6.10      -2.39      -0.01     0.66     16
  26       H     0.07     0.81     8.14      -2.38      -0.02     0.79     16
  27       H     0.08     1.25     8.14      -2.39      -0.02     1.23     16
  28       H     0.08     1.36     8.14      -2.39      -0.02     1.34     16
  29       H     0.08     2.88     8.14      -2.38      -0.02     2.86     16
  30       H     0.08     3.05     8.14      -2.39      -0.02     3.03     16
  31       H     0.42     9.29     8.96     -96.75      -0.87     8.42     16
  32       H     0.21     2.52     7.50      -2.91      -0.02     2.50     16
  33       H     0.20     2.10     7.40      -2.91      -0.02     2.07     16
  34       H     0.21     1.28     7.40      -2.91      -0.02     1.26     16
  35       H     0.23     0.52     7.76      -2.91      -0.02     0.50     16
 Total:         -1.00   -99.87   318.41                  0.74   -99.13