REAL300010785697.mol2 39                                                        
   1       C    -0.15    -1.80     8.97      37.15       0.33    -1.46     16
   2       C    -0.10    -1.21     2.86     -90.62      -0.26    -1.47     16
   3       C    -0.15    -1.56     9.19      37.16       0.34    -1.22     16
   4       C    -0.10    -1.70     4.25     -26.73      -0.11    -1.81     16
   5       C     0.08     1.58     2.52     -69.08      -0.17     1.41     16
   6       H     0.08     1.31     5.46     -51.93      -0.28     1.03     16
   7       N    -1.07   -17.45     4.34      -5.88      -0.03   -17.48     16
   8       S     2.69    40.06     5.65    -107.50      -0.61    39.45     16
   9       O    -0.96   -14.59    17.28     -57.17      -0.99   -15.58     16
  10       O    -0.92   -17.91    17.05     -57.17      -0.97   -18.88     16
  11       C    -0.67    -6.90     5.77     -39.58      -0.23    -7.13     16
  12       C     0.03     0.32     7.34     -39.58      -0.29     0.03     16
  13       C    -0.13    -1.19     8.62     -39.58      -0.34    -1.53     16
  14       C     0.41     4.37     4.82     -39.58      -0.19     4.18     16
  15       F    -0.01    -0.20    16.66       2.25       0.04    -0.16     16
  16       F    -0.18    -2.79    15.31       2.25       0.03    -2.75     16
  17       F    -0.12    -1.79    15.32       2.25       0.03    -1.76     16
  18       F    -0.23    -3.57    15.32       2.25       0.03    -3.53     16
  19       F    -0.23    -3.58    15.31       2.25       0.03    -3.55     16
  20       C    -0.13    -1.09     8.62     -39.58      -0.34    -1.43     16
  21       C     0.03     0.26     9.52     -39.58      -0.38    -0.11     16
  22       C     0.49    14.03     7.36      36.01       0.26    14.30     16
  23       O    -0.69   -22.41    18.00     -20.23      -0.36   -22.78     16
  24       O    -0.68   -21.68    17.36     -20.23      -0.35   -22.03     16
  25       H     0.05     0.55     8.14     -51.92      -0.42     0.12     16
  26       H     0.05     0.55     4.82     -51.93      -0.25     0.30     16
  27       H     0.06     0.75     8.14     -51.93      -0.42     0.33     16
  28       H     0.07     0.70     7.59     -51.93      -0.39     0.31     16
  29       H     0.05     0.60     8.14     -51.93      -0.42     0.18     16
  30       H     0.05     0.57     8.14     -51.93      -0.42     0.15     16
  31       H     0.05     0.48     8.14     -51.93      -0.42     0.06     16
  32       H     0.07     1.11     8.14     -51.93      -0.42     0.68     16
  33       H     0.08     1.47     8.14     -51.93      -0.42     1.04     16
  34       H     0.42     5.96     8.84     -34.47      -0.30     5.66     16
  35       H     0.19     1.72     7.62     -52.49      -0.40     1.32     16
  36       H     0.19     1.46     7.40     -52.49      -0.39     1.07     16
  37       H     0.19     1.25     7.40     -52.49      -0.39     0.86     16
  38       H     0.19     0.93     7.62     -52.49      -0.40     0.54     16
 Total:         -1.00   -41.36   351.18                 -4.99   -46.35