REAL300008066193.mol2 37                                                        
   1       C    -0.15    -2.64     8.30      37.16       0.31    -2.33     16
   2       C     0.10     2.13     0.77    -131.99      -0.10     2.03     16
   3       C     0.50    14.60     5.94      36.00       0.21    14.81     16
   4       O    -0.67   -21.93    15.36     -26.89      -0.41   -22.34     16
   5       O    -0.69   -22.49    17.67     -20.23      -0.36   -22.85     16
   6       C    -0.10    -1.67     6.01     -24.90      -0.15    -1.82     16
   7       C    -0.13    -1.59     7.09     -24.58      -0.17    -1.76     16
   8       C     0.12     1.65     7.04      -2.53      -0.02     1.63     16
   9       N    -0.97   -17.25     2.81     -98.87      -0.28   -17.53     16
  10       S     2.71    47.28     5.01    -107.50      -0.54    46.74     16
  11       O    -0.95   -17.35    17.10     -57.18      -0.98   -18.32     16
  12       O    -0.90   -19.77    13.66     -65.81      -0.90   -20.67     16
  13       C    -0.68    -7.77     5.97     -39.58      -0.24    -8.00     16
  14       C     0.03     0.35     9.08     -39.58      -0.36    -0.01     16
  15       C    -0.13    -1.24     8.62     -39.58      -0.34    -1.59     16
  16       C     0.41     4.48     4.82     -39.58      -0.19     4.29     16
  17       F    -0.01    -0.23    16.66       2.25       0.04    -0.19     16
  18       F    -0.12    -1.80    15.31       2.25       0.03    -1.76     16
  19       F    -0.18    -2.88    15.31       2.25       0.03    -2.84     16
  20       F    -0.24    -3.78    15.31       2.25       0.03    -3.74     16
  21       F    -0.22    -3.48    15.31       2.25       0.03    -3.44     16
  22       C    -0.13    -1.12     8.62     -39.58      -0.34    -1.46     16
  23       C     0.03     0.25     9.52     -39.58      -0.38    -0.13     16
  24       H     0.05     0.86     5.73     -51.93      -0.30     0.56     16
  25       H     0.08     1.49     8.00     -51.93      -0.42     1.08     16
  26       H     0.05     0.64     8.14     -51.93      -0.42     0.21     16
  27       H     0.08     1.18     7.83     -51.93      -0.41     0.78     16
  28       H     0.07     1.41     7.85     -51.93      -0.41     1.00     16
  29       H     0.07     0.72     8.14     -51.93      -0.42     0.29     16
  30       H     0.08     0.77     8.14     -51.93      -0.42     0.35     16
  31       H     0.07     0.62     8.14     -51.93      -0.42     0.19     16
  32       H     0.07     1.08     8.14     -51.93      -0.42     0.66     16
  33       H     0.19     1.83     6.60     -52.49      -0.35     1.48     16
  34       H     0.19     1.54     7.40     -52.49      -0.39     1.15     16
  35       H     0.19     1.22     7.40     -52.49      -0.39     0.84     16
  36       H     0.19     1.08     7.75     -52.49      -0.41     0.67     16
 Total:         -1.00   -41.81   330.57                 -5.24   -47.05