REAL300007981838.mol2 39                                                        
   1       C    -0.15    -1.63     9.19      37.16       0.34    -1.29     16
   2       C    -0.10    -1.32     2.86     -90.62      -0.26    -1.58     16
   3       C    -0.15    -1.99     8.95      37.16       0.33    -1.66     16
   4       C    -0.10    -1.63     4.26     -26.73      -0.11    -1.74     16
   5       C     0.07     1.33     2.63     -69.08      -0.18     1.15     16
   6       H     0.09     1.58     5.70     -51.93      -0.30     1.29     16
   7       N    -1.07   -16.81     4.51      -5.88      -0.03   -16.84     16
   8       S     2.70    38.16     5.72    -107.50      -0.61    37.54     16
   9       O    -0.96   -13.97    17.28     -57.17      -0.99   -14.96     16
  10       O    -0.95   -14.19    16.63     -57.17      -0.95   -15.14     16
  11       C    -0.67    -9.25     5.94     -39.58      -0.24    -9.49     16
  12       C     0.05     0.68     9.52     -39.58      -0.38     0.30     16
  13       C    -0.12    -1.74     8.62     -39.58      -0.34    -2.09     16
  14       C     0.42     6.52     4.82     -39.58      -0.19     6.33     16
  15       F    -0.15    -3.37    16.66       2.25       0.04    -3.34     16
  16       F    -0.15    -3.17    15.31       2.25       0.03    -3.14     16
  17       F    -0.18    -3.39    15.32       2.25       0.03    -3.35     16
  18       F    -0.18    -3.43    15.32       2.25       0.03    -3.39     16
  19       F    -0.14    -2.99    15.31       2.25       0.03    -2.95     16
  20       C    -0.13    -1.70     8.62     -39.58      -0.34    -2.05     16
  21       C     0.05     0.61     9.52     -39.58      -0.38     0.23     16
  22       C     0.48    12.38     7.23      36.01       0.26    12.64     16
  23       O    -0.68   -19.41    17.59     -20.22      -0.36   -19.76     16
  24       O    -0.69   -20.51    18.00     -20.23      -0.36   -20.88     16
  25       H     0.05     0.50     8.14     -51.93      -0.42     0.08     16
  26       H     0.05     0.57     8.14     -51.93      -0.42     0.14     16
  27       H     0.05     0.60     8.14     -51.93      -0.42     0.17     16
  28       H     0.07     0.88     7.62     -51.93      -0.40     0.48     16
  29       H     0.05     0.68     8.14     -51.93      -0.42     0.26     16
  30       H     0.07     0.93     6.46     -51.93      -0.34     0.60     16
  31       H     0.05     0.57     8.14     -51.93      -0.42     0.14     16
  32       H     0.08     1.34     8.14     -51.93      -0.42     0.92     16
  33       H     0.07     1.12     8.14     -51.93      -0.42     0.70     16
  34       H     0.42     5.80     8.84     -34.47      -0.30     5.50     16
  35       H     0.19     2.13     7.62     -52.49      -0.40     1.73     16
  36       H     0.19     2.31     7.40     -52.49      -0.39     1.92     16
  37       H     0.19     2.03     7.40     -52.49      -0.39     1.65     16
  38       H     0.19     1.73     7.62     -52.49      -0.40     1.33     16
 Total:         -1.00   -38.07   355.46                 -5.12   -43.18