REAL300010858910.mol2 33                                                        
   1       C    -0.15    -2.03     9.80      37.16       0.36    -1.66     16
   2       C    -0.11    -1.85     5.51     -26.73      -0.15    -1.99     16
   3       C     0.07     1.39     2.76     -69.09      -0.19     1.20     16
   4       H     0.09     1.60     7.50     -51.93      -0.39     1.21     16
   5       N    -1.08   -17.46     4.59      -5.89      -0.03   -17.49     16
   6       S     2.70    39.71     5.72    -107.50      -0.61    39.09     16
   7       O    -0.96   -14.39    17.28     -57.17      -0.99   -15.38     16
   8       O    -0.95   -14.97    16.63     -57.17      -0.95   -15.92     16
   9       C    -0.67    -9.67     5.94     -39.58      -0.24    -9.90     16
  10       C     0.05     0.65     9.52     -39.58      -0.38     0.28     16
  11       C    -0.12    -1.85     8.62     -39.58      -0.34    -2.19     16
  12       C     0.42     6.72     4.82     -39.58      -0.19     6.53     16
  13       F    -0.03    -0.59    16.66       2.25       0.04    -0.55     16
  14       F    -0.22    -4.55    15.31       2.25       0.03    -4.52     16
  15       F    -0.24    -4.68    15.32       2.25       0.03    -4.64     16
  16       F    -0.13    -2.41    15.32       2.25       0.03    -2.37     16
  17       F    -0.16    -3.34    15.31       2.25       0.03    -3.31     16
  18       C    -0.13    -1.79     8.62     -39.58      -0.34    -2.13     16
  19       C     0.04     0.58     9.52     -39.58      -0.38     0.20     16
  20       C     0.48    12.71     7.23      36.00       0.26    12.97     16
  21       O    -0.68   -19.85    17.59     -20.23      -0.36   -20.20     16
  22       O    -0.69   -20.99    18.00     -20.22      -0.36   -21.35     16
  23       H     0.05     0.66     7.75     -51.93      -0.40     0.26     16
  24       H     0.05     0.59     8.14     -51.93      -0.42     0.16     16
  25       H     0.06     0.74     8.14     -51.93      -0.42     0.32     16
  26       H     0.08     1.34     8.14     -51.93      -0.42     0.92     16
  27       H     0.07     1.13     8.14     -51.93      -0.42     0.71     16
  28       H     0.42     6.01     8.84     -34.47      -0.30     5.71     16
  29       H     0.19     2.26     7.62     -52.48      -0.40     1.86     16
  30       H     0.19     2.48     7.40     -52.49      -0.39     2.09     16
  31       H     0.18     2.07     7.40     -52.48      -0.39     1.68     16
  32       H     0.19     1.81     7.62     -52.49      -0.40     1.41     16
 Total:         -1.00   -37.94   316.76                 -4.29   -42.23