REAL300010978597.mol2 39                                                        
   1       C    -0.15    -1.48     9.91      37.16       0.37    -1.11     16
   2       C    -0.13    -1.41     5.93     -26.73      -0.16    -1.57     16
   3       C    -0.12    -1.60     5.10     -26.73      -0.14    -1.74     16
   4       C    -0.10    -1.70     4.80     -26.73      -0.13    -1.83     16
   5       C     0.07     1.35     2.77     -69.08      -0.19     1.16     16
   6       H     0.09     1.54     7.50     -51.93      -0.39     1.15     16
   7       N    -1.07   -16.79     4.59      -5.88      -0.03   -16.82     16
   8       S     2.70    38.15     5.72    -107.50      -0.61    37.54     16
   9       O    -0.96   -13.91    17.28     -57.17      -0.99   -14.90     16
  10       O    -0.95   -14.39    16.63     -57.17      -0.95   -15.35     16
  11       C    -0.67    -9.23     5.94     -39.58      -0.24    -9.46     16
  12       C     0.05     0.66     9.52     -39.59      -0.38     0.28     16
  13       C    -0.13    -1.76     8.62     -39.58      -0.34    -2.10     16
  14       C     0.42     6.62     4.82     -39.58      -0.19     6.42     16
  15       F    -0.15    -3.30    16.66       2.25       0.04    -3.26     16
  16       F    -0.16    -3.21    15.30       2.25       0.03    -3.17     16
  17       F    -0.18    -3.50    15.32       2.25       0.03    -3.46     16
  18       F    -0.19    -3.53    15.32       2.25       0.03    -3.49     16
  19       F    -0.14    -3.02    15.31       2.25       0.03    -2.98     16
  20       C    -0.13    -1.72     8.62     -39.58      -0.34    -2.06     16
  21       C     0.05     0.59     9.52     -39.58      -0.38     0.21     16
  22       C     0.48    12.39     7.23      36.01       0.26    12.65     16
  23       O    -0.68   -19.40    17.59     -20.23      -0.36   -19.75     16
  24       O    -0.69   -20.53    18.00     -20.23      -0.36   -20.90     16
  25       H     0.05     0.43     8.14     -51.93      -0.42     0.01     16
  26       H     0.05     0.51     8.14     -51.93      -0.42     0.09     16
  27       H     0.05     0.49     8.14     -51.93      -0.42     0.07     16
  28       H     0.06     0.68     8.14     -51.93      -0.42     0.26     16
  29       H     0.06     0.66     8.14     -51.93      -0.42     0.23     16
  30       H     0.06     0.76     7.75     -51.93      -0.40     0.36     16
  31       H     0.06     0.84     8.14     -51.93      -0.42     0.42     16
  32       H     0.08     1.32     8.14     -51.93      -0.42     0.90     16
  33       H     0.07     1.11     8.14     -51.93      -0.42     0.69     16
  34       H     0.42     5.80     8.84     -34.47      -0.30     5.49     16
  35       H     0.19     2.14     7.62     -52.49      -0.40     1.74     16
  36       H     0.19     2.35     7.40     -52.49      -0.39     1.96     16
  37       H     0.19     2.06     7.40     -52.49      -0.39     1.67     16
  38       H     0.19     1.72     7.61     -52.49      -0.40     1.32     16
 Total:         -1.00   -38.31   359.76                 -5.61   -43.92