REAL300007713131.mol2 37                                                        
   1       C     0.03     0.30    11.01     101.05       1.11     1.41     16
   2       O    -0.39    -5.33    10.70     -35.23      -0.38    -5.70     16
   3       C     0.06     0.76     5.83      37.16       0.22     0.97     16
   4       C    -0.11    -1.79     5.17     -26.73      -0.14    -1.93     16
   5       C     0.08     1.59     2.64     -69.08      -0.18     1.40     16
   6       N    -1.07   -16.60     4.43      -5.88      -0.03   -16.62     16
   7       S     2.69    37.22     5.65    -107.50      -0.61    36.61     16
   8       O    -0.95   -13.58    17.28     -57.17      -0.99   -14.57     16
   9       O    -0.92   -16.86    17.05     -57.17      -0.97   -17.84     16
  10       C    -0.67    -6.13     5.82     -39.58      -0.23    -6.36     16
  11       C     0.04     0.31     8.88     -39.58      -0.35    -0.04     16
  12       C    -0.13    -1.06     8.62     -39.58      -0.34    -1.40     16
  13       C     0.42     4.07     4.82     -39.58      -0.19     3.88     16
  14       F    -0.13    -2.43    16.67       2.25       0.04    -2.39     16
  15       F    -0.17    -2.55    15.31       2.25       0.03    -2.51     16
  16       F    -0.17    -2.62    15.31       2.25       0.03    -2.58     16
  17       F    -0.17    -2.60    15.33       2.25       0.03    -2.56     16
  18       F    -0.16    -2.52    15.30       2.25       0.03    -2.49     16
  19       C    -0.13    -0.94     8.62     -39.58      -0.34    -1.28     16
  20       C     0.04     0.23     9.52     -39.58      -0.38    -0.15     16
  21       C     0.49    13.79     7.36      36.01       0.26    14.06     16
  22       O    -0.69   -21.86    18.00     -20.22      -0.36   -22.22     16
  23       O    -0.67   -21.06    17.36     -20.23      -0.35   -21.41     16
  24       H     0.08     0.73     8.14     -51.93      -0.42     0.30     16
  25       H     0.04     0.33     8.14     -51.93      -0.42    -0.09     16
  26       H     0.04     0.37     8.14     -51.93      -0.42    -0.05     16
  27       H     0.04     0.51     8.14     -51.93      -0.42     0.08     16
  28       H     0.05     0.48     7.75     -51.93      -0.40     0.08     16
  29       H     0.08     1.32     8.14     -51.92      -0.42     0.90     16
  30       H     0.09     1.69     8.14     -51.93      -0.42     1.26     16
  31       H     0.08     1.23     7.21     -51.93      -0.37     0.85     16
  32       H     0.42     5.68     8.84     -34.47      -0.30     5.38     16
  33       H     0.20     1.49     7.62     -52.49      -0.40     1.09     16
  34       H     0.19     1.33     7.40     -52.48      -0.39     0.94     16
  35       H     0.19     1.02     7.40     -52.49      -0.39     0.63     16
  36       H     0.19     0.71     7.62     -52.48      -0.40     0.31     16
 Total:         -1.00   -42.78   349.38                 -4.00   -46.78