REAL300008114680.mol2 39                                                        
   1       C    -0.15    -1.70     7.53      37.16       0.28    -1.42     16
   2       C    -0.11    -1.38     2.74     -90.62      -0.25    -1.63     16
   3       C    -0.15    -1.61     8.69      37.16       0.32    -1.29     16
   4       C     0.18     2.69     1.55     -67.93      -0.11     2.58     16
   5       C    -0.20    -3.70     5.05     -27.88      -0.14    -3.84     16
   6       C     0.49    12.73     7.92      36.01       0.29    13.02     16
   7       O    -0.70   -16.86    12.40     -20.22      -0.25   -17.12     16
   8       O    -0.70   -22.11    18.00     -20.23      -0.36   -22.47     16
   9       N    -1.08   -14.74     3.49      -4.90      -0.02   -14.76     16
  10       S     2.70    35.55     5.54    -107.50      -0.60    34.96     16
  11       O    -0.96   -14.17    17.28     -57.17      -0.99   -15.16     16
  12       O    -0.95   -12.43    12.88     -57.17      -0.74   -13.17     16
  13       C    -0.62    -8.49     3.75     -39.58      -0.15    -8.64     16
  14       C     0.04     0.52     8.60     -39.59      -0.34     0.18     16
  15       C    -0.13    -1.81     8.62     -39.59      -0.34    -2.15     16
  16       C     0.42     6.99     4.82     -39.59      -0.19     6.80     16
  17       F    -0.16    -3.67    16.66       2.25       0.04    -3.63     16
  18       F    -0.14    -3.12    15.31       2.25       0.03    -3.08     16
  19       F    -0.19    -3.77    15.32       2.25       0.03    -3.73     16
  20       F    -0.19    -3.78    15.32       2.25       0.03    -3.74     16
  21       F    -0.15    -3.30    15.31       2.25       0.03    -3.27     16
  22       C    -0.12    -1.81     8.62     -39.58      -0.34    -2.15     16
  23       C     0.07     0.97     8.34     -39.58      -0.33     0.64     16
  24       H     0.04     0.46     8.14     -51.93      -0.42     0.04     16
  25       H     0.06     0.72     7.50     -51.93      -0.39     0.33     16
  26       H     0.06     0.79     6.11     -51.93      -0.32     0.47     16
  27       H     0.08     0.88     8.14     -51.93      -0.42     0.46     16
  28       H     0.05     0.58     7.18     -51.93      -0.37     0.20     16
  29       H     0.06     0.67     6.68     -51.93      -0.35     0.32     16
  30       H     0.05     0.49     8.14     -51.93      -0.42     0.07     16
  31       H     0.08     1.19     6.98     -51.93      -0.36     0.83     16
  32       H     0.07     1.27     8.14     -51.93      -0.42     0.85     16
  33       H     0.07     1.21     6.82     -51.93      -0.35     0.85     16
  34       H     0.42     5.25     8.39     -34.47      -0.29     4.96     16
  35       H     0.18     1.62     7.62     -52.48      -0.40     1.22     16
  36       H     0.18     2.16     7.40     -52.48      -0.39     1.77     16
  37       H     0.18     2.39     7.40     -52.48      -0.39     2.01     16
  38       H     0.18     2.03     7.62     -52.49      -0.40     1.63     16
 Total:         -1.00   -37.29   335.98                 -4.71   -42.00