REAL300017329347.mol2 39                                                        
   1       C    -0.16    -1.45     7.35      37.16       0.27    -1.18     16
   2       C    -0.11    -1.27     2.67     -90.62      -0.24    -1.52     16
   3       C    -0.15    -1.62     8.96      37.16       0.33    -1.28     16
   4       C     0.18     2.81     1.51     -67.93      -0.10     2.71     16
   5       H     0.09     1.45     7.37     -51.93      -0.38     1.07     16
   6       C    -0.20    -4.09     5.33     -27.88      -0.15    -4.24     16
   7       C     0.48    14.12     7.92      36.01       0.29    14.40     16
   8       O    -0.66   -20.35    12.93     -27.81      -0.36   -20.71     16
   9       O    -0.71   -24.48    18.00     -20.23      -0.36   -24.84     16
  10       N    -1.08   -15.82     3.81      -4.89      -0.02   -15.84     16
  11       S     2.68    39.77     5.54    -107.50      -0.60    39.17     16
  12       O    -0.96   -15.42    17.46     -57.17      -1.00   -16.42     16
  13       O    -0.87   -17.39    13.37     -66.94      -0.90   -18.29     16
  14       C    -0.67    -6.56     3.69     -39.58      -0.15    -6.71     16
  15       C     0.03     0.30     7.94     -39.58      -0.31    -0.01     16
  16       C    -0.13    -1.12     8.44     -39.58      -0.33    -1.46     16
  17       C     0.41     4.21     4.82     -39.58      -0.19     4.01     16
  18       F    -0.01    -0.22    16.66       2.25       0.04    -0.18     16
  19       F    -0.23    -3.43    15.31       2.25       0.03    -3.39     16
  20       F    -0.23    -3.67    15.31       2.25       0.03    -3.64     16
  21       F    -0.18    -2.83    15.31       2.25       0.03    -2.80     16
  22       F    -0.12    -1.73    15.32       2.25       0.03    -1.69     16
  23       C    -0.13    -1.07     8.62     -39.58      -0.34    -1.41     16
  24       C     0.03     0.23     7.69     -39.58      -0.30    -0.08     16
  25       H     0.06     0.50     8.14     -51.93      -0.42     0.08     16
  26       H     0.05     0.41     5.51     -51.93      -0.29     0.12     16
  27       H     0.05     0.43     5.47     -51.93      -0.28     0.14     16
  28       H     0.08     0.82     8.14     -51.93      -0.42     0.40     16
  29       H     0.06     0.59     8.14     -51.93      -0.42     0.17     16
  30       H     0.06     0.77     6.46     -51.93      -0.34     0.44     16
  31       H     0.05     0.50     8.14     -51.93      -0.42     0.08     16
  32       H     0.06     1.20     8.14     -51.93      -0.42     0.78     16
  33       H     0.07     1.39     6.35     -51.93      -0.33     1.06     16
  34       H     0.41     5.22     8.96     -34.47      -0.31     4.91     16
  35       H     0.20     1.53     7.49     -52.48      -0.39     1.14     16
  36       H     0.19     1.32     7.40     -52.48      -0.39     0.94     16
  37       H     0.19     1.22     7.40     -52.49      -0.39     0.83     16
  38       H     0.19     0.90     7.77     -52.49      -0.41     0.49     16
 Total:         -1.00   -42.83   334.84                 -4.86   -47.69