REAL300017449157.mol2 39                                                        
   1       C    -0.16    -2.76     9.07      37.16       0.34    -2.43     16
   2       C    -0.12    -2.10     3.06     -26.73      -0.08    -2.18     16
   3       C     0.10     1.81     0.61    -132.97      -0.08     1.73     16
   4       C    -0.10    -1.70     4.48     -26.73      -0.12    -1.82     16
   5       C    -0.15    -1.95     9.41      37.16       0.35    -1.60     16
   6       N    -1.07   -16.81     4.47      -0.40       0.00   -16.82     16
   7       S     2.71    40.90     5.43    -107.50      -0.58    40.32     16
   8       O    -0.96   -15.08    17.44     -57.17      -1.00   -16.08     16
   9       O    -0.95   -15.06    13.62     -57.17      -0.78   -15.84     16
  10       C    -0.63    -9.69     3.45     -39.58      -0.14    -9.83     16
  11       C     0.04     0.59     8.33     -39.59      -0.33     0.26     16
  12       C    -0.12    -1.95     8.62     -39.58      -0.34    -2.29     16
  13       C     0.42     7.17     4.82     -39.58      -0.19     6.98     16
  14       F    -0.16    -3.79    16.66       2.25       0.04    -3.75     16
  15       F    -0.15    -3.27    15.31       2.25       0.03    -3.23     16
  16       F    -0.18    -3.71    15.32       2.25       0.03    -3.68     16
  17       F    -0.18    -3.69    15.32       2.25       0.03    -3.65     16
  18       F    -0.14    -3.18    15.31       2.25       0.03    -3.14     16
  19       C    -0.13    -1.87     8.62     -39.58      -0.34    -2.21     16
  20       C     0.07     1.02     8.33     -39.58      -0.33     0.69     16
  21       C     0.49    11.58     5.69      36.00       0.20    11.79     16
  22       O    -0.67   -18.41    15.01     -20.23      -0.30   -18.71     16
  23       O    -0.68   -16.91    13.75     -20.22      -0.28   -17.19     16
  24       H     0.10     2.04     5.48     -51.93      -0.28     1.75     16
  25       H     0.04     0.58     8.14     -51.93      -0.42     0.16     16
  26       H     0.05     0.77     6.30     -51.93      -0.33     0.45     16
  27       H     0.07     1.08     6.37     -51.93      -0.33     0.75     16
  28       H     0.06     1.04     4.13     -51.93      -0.21     0.82     16
  29       H     0.06     1.00     8.14     -51.93      -0.42     0.57     16
  30       H     0.08     1.46     6.27     -51.93      -0.33     1.13     16
  31       H     0.05     0.60     7.21     -51.93      -0.37     0.23     16
  32       H     0.05     0.55     8.14     -51.93      -0.42     0.13     16
  33       H     0.06     0.75     6.60     -51.92      -0.34     0.40     16
  34       H     0.41     5.50     8.13     -34.47      -0.28     5.22     16
  35       H     0.18     2.36     5.90     -52.49      -0.31     2.05     16
  36       H     0.18     2.49     7.40     -52.49      -0.39     2.11     16
  37       H     0.18     2.30     7.40     -52.49      -0.39     1.91     16
  38       H     0.18     1.99     7.75     -52.49      -0.41     1.59     16
 Total:         -1.00   -34.33   325.49                 -4.17   -38.49