REAL300017635151.mol2 39                                                        
   1       C    -0.16    -2.31     8.97      37.16       0.33    -1.98     16
   2       C    -0.11    -2.04     4.84     -26.73      -0.13    -2.17     16
   3       C     0.07     1.47     2.54     -69.09      -0.18     1.30     16
   4       C     0.49    13.19     7.20      36.00       0.26    13.45     16
   5       O    -0.68   -19.79    15.40     -20.23      -0.31   -20.10     16
   6       O    -0.69   -21.46    18.00     -20.23      -0.36   -21.83     16
   7       N    -0.95   -17.08     2.00    -108.54      -0.22   -17.30     16
   8       C     0.12     2.09     4.94      -4.04      -0.02     2.07     16
   9       C    -0.18    -2.57     8.57      37.15       0.32    -2.25     16
  10       S     2.68    43.15     5.64    -107.50      -0.61    42.54     16
  11       O    -0.94   -15.75    16.09     -57.17      -0.92   -16.67     16
  12       O    -0.94   -15.70    15.81     -57.17      -0.90   -16.61     16
  13       C    -0.62    -9.04     5.97     -39.58      -0.24    -9.27     16
  14       C     0.00     0.03     9.52     -39.58      -0.38    -0.35     16
  15       C    -0.08    -0.77    10.05     -39.58      -0.40    -1.16     16
  16       C    -0.06    -0.71     8.62     -39.59      -0.34    -1.05     16
  17       C     0.34     5.14     4.82     -39.59      -0.19     4.95     16
  18       F    -0.02    -0.38    16.66       2.25       0.04    -0.34     16
  19       F    -0.25    -4.43    15.31       2.25       0.03    -4.40     16
  20       F    -0.21    -4.14    15.31       2.25       0.03    -4.11     16
  21       F    -0.18    -3.37    15.32       2.25       0.03    -3.33     16
  22       F    -0.12    -2.24    15.31       2.25       0.03    -2.21     16
  23       C    -0.01    -0.14     8.10     -39.58      -0.32    -0.47     16
  24       H     0.05     0.76     5.76     -51.93      -0.30     0.46     16
  25       H     0.05     0.64     8.14     -51.92      -0.42     0.22     16
  26       H     0.06     0.82     8.14     -51.93      -0.42     0.39     16
  27       H     0.08     1.45     8.14     -51.93      -0.42     1.03     16
  28       H     0.07     1.23     5.63     -51.93      -0.29     0.94     16
  29       H     0.10     1.87     6.84     -51.93      -0.36     1.52     16
  30       H     0.07     1.07     7.70     -51.93      -0.40     0.67     16
  31       H     0.11     2.11     6.38     -51.93      -0.33     1.78     16
  32       H     0.06     0.77     8.14     -51.93      -0.42     0.35     16
  33       H     0.07     0.98     4.46     -51.93      -0.23     0.75     16
  34       H     0.06     0.80     7.57     -51.93      -0.39     0.40     16
  35       H     0.18     1.83     7.62     -52.49      -0.40     1.43     16
  36       H     0.18     0.89     8.06     -52.49      -0.42     0.47     16
  37       H     0.18     1.70     7.40     -52.49      -0.39     1.31     16
  38       H     0.19     2.66     6.96     -52.49      -0.37     2.30     16
 Total:         -1.00   -37.25   341.93                 -4.84   -42.09