REAL300010790666.mol2 33                                                        
   1       C    -0.15    -1.88     9.80      37.16       0.36    -1.52     16
   2       C    -0.12    -1.90     5.51     -26.73      -0.15    -2.05     16
   3       C     0.08     1.60     2.63     -69.08      -0.18     1.42     16
   4       H     0.07     1.25     7.21     -51.93      -0.37     0.87     16
   5       N    -1.07   -18.12     4.59      -5.88      -0.03   -18.15     16
   6       S     2.69    41.34     5.65    -107.50      -0.61    40.74     16
   7       O    -0.95   -15.64    17.28     -57.17      -0.99   -16.63     16
   8       O    -0.92   -17.57    17.05     -57.17      -0.97   -18.54     16
   9       C    -0.63    -6.73     5.82     -39.58      -0.23    -6.96     16
  10       C     0.00    -0.04     8.88     -39.59      -0.35    -0.39     16
  11       C    -0.08    -0.38    10.05     -39.58      -0.40    -0.77     16
  12       C    -0.06    -0.44     8.62     -39.58      -0.34    -0.78     16
  13       C     0.35     3.83     4.82     -39.58      -0.19     3.64     16
  14       F    -0.13    -2.61    16.66       2.25       0.04    -2.57     16
  15       F    -0.18    -2.83    15.32       2.25       0.03    -2.79     16
  16       F    -0.16    -2.65    15.30       2.25       0.03    -2.62     16
  17       F    -0.17    -2.73    15.31       2.25       0.03    -2.70     16
  18       F    -0.16    -2.68    15.32       2.25       0.03    -2.65     16
  19       C    -0.01    -0.15     8.10     -39.58      -0.32    -0.47     16
  20       C     0.49    14.11     7.23      36.00       0.26    14.37     16
  21       O    -0.69   -22.31    18.00     -20.23      -0.36   -22.67     16
  22       O    -0.68   -21.83    17.59     -20.24      -0.36   -22.19     16
  23       H     0.05     0.54     8.14     -51.93      -0.42     0.11     16
  24       H     0.05     0.61     8.14     -51.93      -0.42     0.19     16
  25       H     0.05     0.59     7.75     -51.93      -0.40     0.19     16
  26       H     0.07     1.20     8.14     -51.93      -0.42     0.77     16
  27       H     0.08     1.33     8.14     -51.93      -0.42     0.90     16
  28       H     0.42     6.42     8.84     -34.47      -0.30     6.12     16
  29       H     0.19     1.39     7.62     -52.49      -0.40     0.99     16
  30       H     0.19     0.12     8.06     -52.49      -0.42    -0.30     16
  31       H     0.19     0.95     7.40     -52.49      -0.39     0.56     16
  32       H     0.20     2.10     6.96     -52.49      -0.37     1.74     16
 Total:         -1.00   -43.12   315.93                 -4.27   -47.39