REAL300008032771.mol2 39                                                        
   1       C    -0.15    -1.46     9.91      37.16       0.37    -1.09     16
   2       C    -0.16    -1.79     5.80     -26.73      -0.16    -1.94     16
   3       C     0.12     1.85     4.72      -4.04      -0.02     1.83     16
   4       N    -0.95   -16.30     2.44    -108.53      -0.27   -16.57     16
   5       C     0.07     1.42     3.07     -69.08      -0.21     1.21     16
   6       C    -0.14    -2.33     7.62      37.16       0.28    -2.05     16
   7       C     0.50    14.26     7.15      36.01       0.26    14.52     16
   8       O    -0.68   -21.24    15.80     -20.22      -0.32   -21.56     16
   9       O    -0.69   -22.39    17.87     -20.23      -0.36   -22.75     16
  10       S     2.68    40.35     5.68    -107.50      -0.61    39.74     16
  11       O    -0.94   -16.88    15.91     -57.17      -0.91   -17.79     16
  12       O    -0.94   -15.16    15.85     -57.17      -0.91   -16.07     16
  13       C    -0.67    -6.67     5.97     -39.58      -0.24    -6.91     16
  14       C     0.03     0.24     8.23     -39.58      -0.33    -0.08     16
  15       C    -0.13    -1.03     8.62     -39.58      -0.34    -1.38     16
  16       C     0.41     4.19     4.82     -39.59      -0.19     4.00     16
  17       F    -0.01    -0.19    16.66       2.25       0.04    -0.16     16
  18       F    -0.22    -3.37    15.31       2.25       0.03    -3.33     16
  19       F    -0.24    -3.64    15.32       2.25       0.03    -3.61     16
  20       F    -0.18    -2.81    15.32       2.25       0.03    -2.78     16
  21       F    -0.12    -1.72    15.31       2.25       0.03    -1.69     16
  22       C    -0.13    -1.10     8.62     -39.58      -0.34    -1.45     16
  23       C     0.03     0.29     9.52     -39.58      -0.38    -0.09     16
  24       H     0.05     0.45     8.14     -51.93      -0.42     0.03     16
  25       H     0.06     0.50     8.14     -51.93      -0.42     0.08     16
  26       H     0.06     0.62     8.14     -51.93      -0.42     0.20     16
  27       H     0.05     0.45     6.79     -51.93      -0.35     0.10     16
  28       H     0.08     0.92     5.20     -51.93      -0.27     0.65     16
  29       H     0.11     2.02     6.68     -51.93      -0.35     1.67     16
  30       H     0.09     1.26     6.94     -51.93      -0.36     0.90     16
  31       H     0.09     1.77     7.02     -51.93      -0.36     1.41     16
  32       H     0.06     1.02     6.65     -51.93      -0.35     0.67     16
  33       H     0.07     1.21     8.14     -51.93      -0.42     0.79     16
  34       H     0.04     0.56     7.74     -51.93      -0.40     0.16     16
  35       H     0.19     1.04     7.62     -52.49      -0.40     0.64     16
  36       H     0.19     1.15     7.40     -52.48      -0.39     0.76     16
  37       H     0.19     1.35     7.40     -52.49      -0.39     0.96     16
  38       H     0.19     1.31     7.62     -52.48      -0.40     0.91     16
 Total:         -1.00   -39.87   345.15                 -5.00   -44.87