REAL300017049147.mol2 39                                                        
   1       C    -0.15    -2.02     9.67      37.16       0.36    -1.66     16
   2       C    -0.12    -2.02     4.72     -26.73      -0.13    -2.14     16
   3       C    -0.08    -1.31     2.40     -90.62      -0.22    -1.53     16
   4       H     0.06     0.83     8.14     -51.93      -0.42     0.41     16
   5       C    -0.15    -2.44     8.52      37.16       0.32    -2.12     16
   6       C     0.08     1.54     2.51     -69.08      -0.17     1.36     16
   7       H     0.07     1.21     7.21     -51.93      -0.37     0.84     16
   8       N    -1.07   -18.34     4.94      -5.88      -0.03   -18.37     16
   9       S     2.69    42.00     5.65    -107.50      -0.61    41.39     16
  10       O    -0.95   -15.96    17.28     -57.17      -0.99   -16.95     16
  11       O    -0.91   -17.62    17.05     -57.17      -0.97   -18.59     16
  12       C    -0.63    -6.85     5.82     -39.58      -0.23    -7.08     16
  13       C    -0.01    -0.05     8.89     -39.59      -0.35    -0.40     16
  14       C    -0.08    -0.39    10.05     -39.59      -0.40    -0.78     16
  15       C    -0.06    -0.45     8.62     -39.58      -0.34    -0.79     16
  16       C     0.35     3.90     4.82     -39.58      -0.19     3.71     16
  17       F    -0.13    -2.63    16.65       2.25       0.04    -2.59     16
  18       F    -0.18    -2.84    15.30       2.25       0.03    -2.80     16
  19       F    -0.16    -2.68    15.31       2.25       0.03    -2.65     16
  20       F    -0.18    -2.82    15.31       2.25       0.03    -2.78     16
  21       F    -0.16    -2.67    15.32       2.25       0.03    -2.64     16
  22       C    -0.01    -0.16     8.10     -39.58      -0.32    -0.48     16
  23       C     0.50    13.65     5.89      36.01       0.21    13.86     16
  24       O    -0.69   -20.89    15.69     -20.22      -0.32   -21.20     16
  25       O    -0.67   -21.07    17.36     -20.23      -0.35   -21.42     16
  26       H     0.05     0.70     6.57     -51.93      -0.34     0.36     16
  27       H     0.04     0.53     8.14     -51.93      -0.42     0.11     16
  28       H     0.05     0.62     8.14     -51.93      -0.42     0.20     16
  29       H     0.09     1.99     6.22     -51.93      -0.32     1.66     16
  30       H     0.06     0.91     8.14     -51.93      -0.42     0.49     16
  31       H     0.05     0.73     6.56     -51.93      -0.34     0.39     16
  32       H     0.07     1.39     7.22     -51.93      -0.37     1.01     16
  33       H     0.05     0.75     6.50     -51.93      -0.34     0.41     16
  34       H     0.42     6.57     7.03     -34.47      -0.24     6.33     16
  35       H     0.19     1.37     7.62     -52.49      -0.40     0.97     16
  36       H     0.19     0.13     8.06     -52.48      -0.42    -0.30     16
  37       H     0.19     0.97     7.40     -52.49      -0.39     0.59     16
  38       H     0.20     2.15     6.96     -52.49      -0.37     1.78     16
 Total:         -1.00   -41.26   345.78                 -4.94   -46.21