REAL300007635376.mol2 30                                                        
   1       C    -0.15    -2.47     9.50      37.16       0.35    -2.11     15
   2       C     0.07     1.35     3.37     -69.08      -0.23     1.12     15
   3       N    -1.07   -18.36     5.44      -5.88      -0.03   -18.39     15
   4       S     2.68    37.26     5.72    -107.50      -0.61    36.64     15
   5       O    -0.95   -14.82    17.28     -57.17      -0.99   -15.80     15
   6       O    -0.93   -14.68    16.63     -57.17      -0.95   -15.63     15
   7       C    -0.62    -6.19     5.07     -39.58      -0.20    -6.39     15
   8       C    -0.01    -0.03     8.56     -39.59      -0.34    -0.37     15
   9       C    -0.08    -0.32    10.05     -39.58      -0.40    -0.72     15
  10       C    -0.06    -0.41     8.62     -39.58      -0.34    -0.75     15
  11       C     0.35     3.79     4.82     -39.58      -0.19     3.60     15
  12       F    -0.13    -2.60    16.66       2.25       0.04    -2.56     15
  13       F    -0.18    -2.81    15.31       2.25       0.03    -2.77     15
  14       F    -0.16    -2.67    15.31       2.25       0.03    -2.63     15
  15       F    -0.18    -2.79    15.32       2.25       0.03    -2.76     15
  16       F    -0.16    -2.69    15.31       2.25       0.03    -2.66     15
  17       C    -0.01    -0.14     8.10     -39.58      -0.32    -0.46     15
  18       C     0.50    14.35     7.23      36.00       0.26    14.61     15
  19       O    -0.68   -22.06    18.00     -20.23      -0.36   -22.43     15
  20       O    -0.68   -21.37    17.09     -20.23      -0.35   -21.71     15
  21       H     0.06     1.11     8.14     -51.93      -0.42     0.68     15
  22       H     0.04     0.43     6.15     -51.93      -0.32     0.11     15
  23       H     0.07     1.15     8.14     -51.93      -0.42     0.73     15
  24       H     0.09     1.61     7.50     -51.93      -0.39     1.22     15
  25       H     0.43     7.60     8.15     -34.47      -0.28     7.32     15
  26       H     0.18     0.92     7.62     -52.49      -0.40     0.52     15
  27       H     0.19    -0.06     8.06     -52.48      -0.42    -0.48     15
  28       H     0.19     0.90     7.40     -52.48      -0.39     0.51     15
  29       H     0.20     2.12     6.96     -52.48      -0.37     1.75     15
 Total:         -1.00   -41.86   291.50                 -3.55   -45.41