REAL300010786982.mol2 34                                                        
   1       O    -0.69   -23.07    18.00     -20.23      -0.36   -23.43     16
   2       C     0.49    14.48     6.40      36.00       0.23    14.71     16
   3       O    -0.67   -21.89    15.53     -26.83      -0.42   -22.31     16
   4       C     0.08     1.59     3.55     -68.11      -0.24     1.35     16
   5       H     0.07     1.26     8.14     -51.93      -0.42     0.83     16
   6       C    -0.10    -1.73     6.47     -24.89      -0.16    -1.89     16
   7       C    -0.13    -1.61     7.09     -24.58      -0.17    -1.78     16
   8       C     0.12     1.68     7.00      -2.36      -0.02     1.66     16
   9       N    -0.98   -17.23     3.08    -105.40      -0.32   -17.56     16
  10       S     2.71    45.99     5.61    -107.50      -0.60    45.38     16
  11       O    -0.90   -19.65    14.57     -65.74      -0.96   -20.61     16
  12       O    -0.95   -16.57    16.88     -57.17      -0.96   -17.53     16
  13       C    -0.68    -7.62     5.97     -39.59      -0.24    -7.86     16
  14       C     0.03     0.25     9.52     -39.59      -0.38    -0.13     16
  15       C    -0.13    -1.16     8.62     -39.58      -0.34    -1.50     16
  16       C     0.41     4.52     4.82     -39.58      -0.19     4.33     16
  17       F    -0.01    -0.21    16.66       2.25       0.04    -0.18     16
  18       F    -0.23    -3.74    15.31       2.25       0.03    -3.71     16
  19       F    -0.23    -3.57    15.32       2.25       0.03    -3.54     16
  20       F    -0.12    -1.81    15.32       2.25       0.03    -1.77     16
  21       F    -0.18    -2.88    15.31       2.25       0.03    -2.85     16
  22       C    -0.13    -1.23     8.62     -39.58      -0.34    -1.58     16
  23       C     0.04     0.37     9.52     -39.58      -0.38    -0.01     16
  24       H     0.08     1.42     7.84     -51.92      -0.41     1.01     16
  25       H     0.08     1.16     8.14     -51.93      -0.42     0.74     16
  26       H     0.08     0.79     8.14     -51.93      -0.42     0.37     16
  27       H     0.07     0.72     8.14     -51.93      -0.42     0.30     16
  28       H     0.07     1.09     8.14     -51.93      -0.42     0.67     16
  29       H     0.07     0.66     8.14     -51.93      -0.42     0.24     16
  30       H     0.19     1.09     7.62     -52.48      -0.40     0.69     16
  31       H     0.19     1.31     7.40     -52.49      -0.39     0.92     16
  32       H     0.19     1.49     7.40     -52.49      -0.39     1.10     16
  33       H     0.19     1.80     7.62     -52.48      -0.40     1.40     16
 Total:         -1.00   -42.32   315.88                 -5.44   -47.77