REAL300008186597.mol2 39                                                        
   1       C    -0.15    -2.11     8.60      37.16       0.32    -1.80     16
   2       C    -0.07    -1.28     2.31     -90.63      -0.21    -1.49     16
   3       C    -0.15    -2.75     8.27      37.16       0.31    -2.45     16
   4       C     0.10     2.02     0.61    -132.97      -0.08     1.94     16
   5       C    -0.16    -3.13     5.96      37.15       0.22    -2.91     16
   6       N    -1.07   -18.39     4.54      -0.40       0.00   -18.39     16
   7       S     2.70    45.69     5.44    -107.50      -0.58    45.11     16
   8       O    -0.95   -17.44    13.55     -57.17      -0.77   -18.22     16
   9       O    -0.96   -15.98    17.43     -57.17      -1.00   -16.98     16
  10       C    -0.60   -10.26     3.52     -39.59      -0.14   -10.40     16
  11       C     0.03     0.39     8.49     -39.59      -0.34     0.05     16
  12       C    -0.08    -1.00    10.05     -39.58      -0.40    -1.40     16
  13       C    -0.06    -0.91     8.62     -39.58      -0.34    -1.25     16
  14       C     0.35     6.71     4.82     -39.58      -0.19     6.52     16
  15       F    -0.04    -1.01    16.66       2.25       0.04    -0.98     16
  16       F    -0.15    -2.98    15.32       2.25       0.03    -2.95     16
  17       F    -0.12    -2.98    15.30       2.25       0.03    -2.94     16
  18       F    -0.22    -5.22    15.31       2.25       0.03    -5.18     16
  19       F    -0.25    -5.63    15.32       2.25       0.03    -5.60     16
  20       C    -0.01    -0.15     6.96     -39.58      -0.28    -0.43     16
  21       C     0.49    12.46     5.35      36.00       0.19    12.65     16
  22       O    -0.67   -19.79    15.11     -20.23      -0.31   -20.09     16
  23       O    -0.69   -17.87    14.18     -20.23      -0.29   -18.16     16
  24       H     0.05     0.66     7.64     -51.93      -0.40     0.27     16
  25       H     0.06     0.85     6.53     -51.93      -0.34     0.51     16
  26       H     0.05     0.62     8.14     -51.93      -0.42     0.20     16
  27       H     0.07     1.17     8.14     -51.92      -0.42     0.75     16
  28       H     0.05     1.01     6.41     -51.92      -0.33     0.68     16
  29       H     0.09     1.99     5.79     -51.93      -0.30     1.69     16
  30       H     0.04     0.61     8.14     -51.92      -0.42     0.18     16
  31       H     0.07     1.19     6.27     -51.93      -0.33     0.87     16
  32       H     0.05     1.13     4.19     -51.93      -0.22     0.91     16
  33       H     0.08     1.59     6.23     -51.93      -0.32     1.26     16
  34       H     0.41     5.93     8.55     -34.47      -0.29     5.64     16
  35       H     0.17     1.83     7.75     -52.49      -0.41     1.42     16
  36       H     0.18     1.20     8.06     -52.49      -0.42     0.78     16
  37       H     0.18     2.17     7.40     -52.49      -0.39     1.78     16
  38       H     0.18     3.64     5.20     -52.49      -0.27     3.37     16
 Total:         -1.00   -36.03   326.16                 -4.08   -40.11