REAL300010793541.mol2 39                                                        
   1       C    -0.15    -1.99     9.67      37.16       0.36    -1.63     16
   2       C    -0.12    -2.00     5.03     -26.73      -0.13    -2.13     16
   3       C    -0.07    -1.28     2.36     -90.62      -0.21    -1.49     16
   4       H     0.07     0.97     8.14     -51.93      -0.42     0.55     16
   5       C    -0.14    -2.44     8.32      37.16       0.31    -2.13     16
   6       C     0.07     1.36     2.56     -69.08      -0.18     1.18     16
   7       H     0.08     1.56     7.50     -51.93      -0.39     1.17     16
   8       N    -1.08   -17.63     5.11      -5.88      -0.03   -17.66     16
   9       S     2.70    39.94     5.72    -107.50      -0.61    39.33     16
  10       O    -0.96   -14.47    17.28     -57.17      -0.99   -15.46     16
  11       O    -0.95   -15.18    16.63     -57.17      -0.95   -16.13     16
  12       C    -0.66    -9.61     5.94     -39.58      -0.24    -9.85     16
  13       C     0.05     0.65     9.52     -39.58      -0.38     0.28     16
  14       C    -0.12    -1.84     8.62     -39.58      -0.34    -2.18     16
  15       C     0.42     6.69     4.82     -39.58      -0.19     6.50     16
  16       F    -0.03    -0.59    16.66       2.25       0.04    -0.55     16
  17       F    -0.22    -4.53    15.31       2.25       0.03    -4.50     16
  18       F    -0.24    -4.66    15.32       2.25       0.03    -4.63     16
  19       F    -0.13    -2.40    15.32       2.25       0.03    -2.36     16
  20       F    -0.16    -3.34    15.31       2.25       0.03    -3.31     16
  21       C    -0.13    -1.77     8.62     -39.58      -0.34    -2.11     16
  22       C     0.05     0.58     9.52     -39.58      -0.38     0.20     16
  23       C     0.49    12.38     5.54      36.01       0.20    12.58     16
  24       O    -0.68   -18.98    16.58     -20.22      -0.34   -19.32     16
  25       O    -0.69   -20.08    17.23     -20.23      -0.35   -20.43     16
  26       H     0.05     0.70     6.57     -51.93      -0.34     0.36     16
  27       H     0.05     0.62     8.14     -51.93      -0.42     0.19     16
  28       H     0.05     0.57     8.14     -51.93      -0.42     0.15     16
  29       H     0.06     1.00     8.14     -51.93      -0.42     0.58     16
  30       H     0.08     1.60     7.07     -51.93      -0.37     1.23     16
  31       H     0.07     1.50     6.56     -51.93      -0.34     1.16     16
  32       H     0.05     0.67     6.56     -51.93      -0.34     0.33     16
  33       H     0.05     0.76     6.73     -51.93      -0.35     0.41     16
  34       H     0.42     6.15     7.32     -34.47      -0.25     5.90     16
  35       H     0.19     2.25     7.62     -52.49      -0.40     1.85     16
  36       H     0.19     2.46     7.40     -52.49      -0.39     2.07     16
  37       H     0.18     2.06     7.40     -52.49      -0.39     1.67     16
  38       H     0.19     1.80     7.62     -52.48      -0.40     1.40     16
 Total:         -1.00   -36.48   347.88                 -5.02   -41.50