REAL300008200059.mol2 36                                                        
   1       C    -0.16    -1.54     8.49      37.16       0.32    -1.22     16
   2       C    -0.14    -1.59     5.60     -26.74      -0.15    -1.74     16
   3       C     0.17     2.74     1.93     -67.94      -0.13     2.61     16
   4       H     0.09     1.42     7.35     -51.93      -0.38     1.04     16
   5       C    -0.20    -4.12     5.46     -27.88      -0.15    -4.27     16
   6       C     0.48    14.19     7.92      36.01       0.29    14.47     16
   7       O    -0.66   -20.42    13.01     -27.76      -0.36   -20.78     16
   8       O    -0.71   -24.48    18.00     -20.22      -0.36   -24.85     16
   9       N    -1.08   -16.64     4.29      -4.90      -0.02   -16.66     16
  10       S     2.68    41.71     5.54    -107.50      -0.60    41.11     16
  11       O    -0.96   -16.78    17.45     -57.17      -1.00   -17.78     16
  12       O    -0.86   -17.16    13.43     -66.88      -0.90   -18.06     16
  13       C    -0.62    -6.49     3.81     -39.58      -0.15    -6.64     16
  14       C    -0.01    -0.04     7.66     -39.58      -0.30    -0.34     16
  15       C    -0.08    -0.33     9.92     -39.58      -0.39    -0.73     16
  16       C    -0.07    -0.44     8.62     -39.59      -0.34    -0.78     16
  17       C     0.34     3.67     4.82     -39.59      -0.19     3.48     16
  18       F    -0.14    -2.66    16.66       2.25       0.04    -2.62     16
  19       F    -0.17    -2.73    15.32       2.25       0.03    -2.70     16
  20       F    -0.16    -2.62    15.30       2.25       0.03    -2.58     16
  21       F    -0.18    -2.70    15.31       2.25       0.03    -2.67     16
  22       F    -0.15    -2.59    15.32       2.25       0.03    -2.55     16
  23       C    -0.01    -0.16     6.47     -39.58      -0.26    -0.41     16
  24       H     0.06     0.51     8.14     -51.93      -0.42     0.09     16
  25       H     0.05     0.45     4.91     -51.93      -0.26     0.19     16
  26       H     0.05     0.40     6.10     -51.93      -0.32     0.08     16
  27       H     0.07     0.76     8.14     -51.93      -0.42     0.33     16
  28       H     0.08     0.79     8.14     -51.93      -0.42     0.37     16
  29       H     0.06     1.25     8.14     -51.93      -0.42     0.82     16
  30       H     0.07     1.34     8.14     -51.93      -0.42     0.92     16
  31       H     0.41     5.70     8.96     -34.47      -0.31     5.39     16
  32       H     0.19     1.16     7.50     -52.49      -0.39     0.76     16
  33       H     0.19    -0.01     8.06     -52.49      -0.42    -0.44     16
  34       H     0.18     0.90     7.40     -52.48      -0.39     0.51     16
  35       H     0.19     2.04     7.10     -52.48      -0.37     1.67     16
 Total:         -1.00   -44.49   318.41                 -4.69   -49.17