REAL300017146071.mol2 37                                                        
   1       C    -0.15    -2.61     8.16      37.16       0.30    -2.30     16
   2       C     0.10     2.08     0.81    -131.99      -0.11     1.97     16
   3       C     0.50    14.38     6.11      36.01       0.22    14.60     16
   4       O    -0.69   -22.40    17.75     -20.23      -0.36   -22.76     16
   5       O    -0.66   -21.47    14.75     -27.53      -0.41   -21.88     16
   6       C    -0.10    -1.66     5.96     -24.90      -0.15    -1.80     16
   7       C    -0.13    -1.62     7.08     -24.58      -0.17    -1.80     16
   8       C     0.12     1.68     6.98      -2.53      -0.02     1.66     16
   9       N    -0.97   -17.25     2.85     -98.87      -0.28   -17.53     16
  10       S     2.70    47.00     5.05    -107.50      -0.54    46.46     16
  11       O    -0.89   -19.70    13.72     -66.60      -0.91   -20.61     16
  12       O    -0.95   -17.03    16.88     -57.17      -0.96   -18.00     16
  13       C    -0.68    -7.88     5.97     -39.58      -0.24    -8.12     16
  14       C     0.03     0.26     9.52     -39.58      -0.38    -0.12     16
  15       C    -0.13    -1.18     8.62     -39.58      -0.34    -1.52     16
  16       C     0.41     4.58     4.82     -39.59      -0.19     4.39     16
  17       F    -0.01    -0.24    16.66       2.25       0.04    -0.21     16
  18       F    -0.23    -3.73    15.31       2.25       0.03    -3.69     16
  19       F    -0.23    -3.60    15.31       2.25       0.03    -3.57     16
  20       F    -0.12    -1.82    15.31       2.25       0.03    -1.79     16
  21       F    -0.19    -2.94    15.31       2.25       0.03    -2.90     16
  22       C    -0.13    -1.26     8.62     -39.58      -0.34    -1.60     16
  23       C     0.03     0.36     8.46     -39.59      -0.34     0.02     16
  24       H     0.05     0.65     8.14     -51.93      -0.42     0.23     16
  25       H     0.08     1.47     8.07     -51.93      -0.42     1.05     16
  26       H     0.05     0.77     4.88     -51.93      -0.25     0.51     16
  27       H     0.07     1.42     7.85     -51.93      -0.41     1.01     16
  28       H     0.08     1.18     7.83     -51.93      -0.41     0.78     16
  29       H     0.08     0.79     8.14     -51.93      -0.42     0.37     16
  30       H     0.07     0.73     8.14     -51.93      -0.42     0.31     16
  31       H     0.07     1.07     8.14     -51.93      -0.42     0.64     16
  32       H     0.07     0.67     8.14     -51.93      -0.42     0.25     16
  33       H     0.19     1.15     7.62     -52.49      -0.40     0.75     16
  34       H     0.19     1.34     7.40     -52.48      -0.39     0.95     16
  35       H     0.19     1.51     7.40     -52.49      -0.39     1.13     16
  36       H     0.19     1.94     6.09     -52.49      -0.32     1.62     16
 Total:         -1.00   -41.35   327.87                 -5.19   -46.55