REAL300018723300.mol2 32                                                        
   1       O    -0.67   -33.97    17.40     -26.63      -0.46   -34.43     16
   2       C     0.50    23.45     8.13      36.00       0.29    23.74     16
   3       O    -0.71   -33.99    18.00     -20.23      -0.36   -34.35     16
   4       C     0.00    -0.09     6.50      36.00       0.23     0.14     16
   5       O    -0.34   -14.62     9.41     -64.72      -0.61   -15.23     16
   6       C     0.07     2.47     6.50      36.01       0.23     2.70     16
   7       C     0.53    21.33     7.89     -10.99      -0.09    21.24     16
   8       O    -0.60   -26.64    16.26     -15.22      -0.25   -26.89     16
   9       N    -1.12   -39.51    11.13      31.22       0.35   -39.16     16
  10       S     2.62    85.15     4.87    -107.50      -0.52    84.62     16
  11       O    -1.00   -34.80    17.22     -57.53      -0.99   -35.79     16
  12       O    -1.00   -34.81    17.23     -57.56      -0.99   -35.80     16
  13       C    -0.61   -14.68     5.97     -39.58      -0.24   -14.91     16
  14       C     0.03     0.70     9.52     -39.58      -0.38     0.33     16
  15       C    -0.13    -2.57     8.62     -39.58      -0.34    -2.92     16
  16       C     0.40     8.22     4.82     -39.59      -0.19     8.03     16
  17       F    -0.16    -4.23    16.66       2.25       0.04    -4.19     16
  18       F    -0.16    -4.00    15.32       2.25       0.03    -3.97     16
  19       F    -0.17    -4.16    15.31       2.25       0.03    -4.12     16
  20       F    -0.17    -4.12    15.31       2.25       0.03    -4.09     16
  21       F    -0.17    -4.03    15.31       2.25       0.03    -4.00     16
  22       C    -0.13    -2.58     8.62     -39.58      -0.34    -2.92     16
  23       C     0.03     0.70     9.52     -39.58      -0.38     0.32     16
  24       H     0.04     1.48     8.14     -51.93      -0.42     1.05     16
  25       H     0.04     1.48     8.14     -51.93      -0.42     1.06     16
  26       H     0.06     2.01     8.14     -51.93      -0.42     1.58     16
  27       H     0.06     2.01     8.14     -51.93      -0.42     1.58     16
  28       H     0.19     3.76     7.62     -52.49      -0.40     3.36     16
  29       H     0.19     3.12     7.40     -52.49      -0.39     2.73     16
  30       H     0.19     3.11     7.40     -52.49      -0.39     2.73     16
  31       H     0.19     3.76     7.61     -52.49      -0.40     3.36     16
 Total:         -2.00   -96.04   328.13                 -3.18   -99.22