REAL300007981837.mol2 39                                                        
   1       C    -0.15    -1.67     9.19      37.16       0.34    -1.33     16
   2       C    -0.10    -1.35     2.86     -90.62      -0.26    -1.61     16
   3       C    -0.15    -1.98     8.95      37.16       0.33    -1.65     16
   4       C    -0.10    -1.66     4.26     -26.73      -0.11    -1.77     16
   5       C     0.07     1.35     2.63     -69.08      -0.18     1.17     16
   6       H     0.09     1.59     5.70     -51.93      -0.30     1.29     16
   7       N    -1.07   -17.89     4.51      -5.88      -0.03   -17.91     16
   8       S     2.70    41.37     5.72    -107.50      -0.61    40.76     16
   9       O    -0.95   -15.79    17.28     -57.17      -0.99   -16.78     16
  10       O    -0.94   -14.48    16.63     -57.17      -0.95   -15.43     16
  11       C    -0.62    -9.38     5.94     -39.58      -0.24    -9.61     16
  12       C     0.01     0.08     9.52     -39.59      -0.38    -0.30     16
  13       C    -0.08    -0.78    10.05     -39.59      -0.40    -1.18     16
  14       C    -0.06    -0.75     8.62     -39.58      -0.34    -1.09     16
  15       C     0.36     5.82     4.82     -39.58      -0.19     5.63     16
  16       F    -0.15    -3.44    16.66       2.25       0.04    -3.40     16
  17       F    -0.19    -3.69    15.32       2.25       0.03    -3.66     16
  18       F    -0.13    -3.00    15.30       2.25       0.03    -2.97     16
  19       F    -0.16    -3.37    15.31       2.25       0.03    -3.34     16
  20       F    -0.18    -3.60    15.32       2.25       0.03    -3.56     16
  21       C     0.00    -0.04     8.10     -39.58      -0.32    -0.36     16
  22       C     0.48    12.46     7.23      36.01       0.26    12.72     16
  23       O    -0.68   -19.88    17.59     -20.22      -0.36   -20.24     16
  24       O    -0.69   -20.24    18.00     -20.23      -0.36   -20.61     16
  25       H     0.05     0.52     8.14     -51.93      -0.42     0.09     16
  26       H     0.05     0.59     8.14     -51.93      -0.42     0.16     16
  27       H     0.05     0.60     8.14     -51.93      -0.42     0.18     16
  28       H     0.07     0.91     7.62     -51.93      -0.40     0.52     16
  29       H     0.05     0.57     8.14     -51.93      -0.42     0.15     16
  30       H     0.05     0.67     8.14     -51.93      -0.42     0.25     16
  31       H     0.07     0.93     6.46     -51.93      -0.34     0.59     16
  32       H     0.08     1.35     8.14     -51.93      -0.42     0.92     16
  33       H     0.07     1.16     8.14     -51.93      -0.42     0.74     16
  34       H     0.42     6.35     8.84     -34.47      -0.30     6.05     16
  35       H     0.18     1.86     7.62     -52.48      -0.40     1.46     16
  36       H     0.19     1.06     8.06     -52.49      -0.42     0.64     16
  37       H     0.19     1.89     7.40     -52.49      -0.39     1.50     16
  38       H     0.19     3.03     6.96     -52.48      -0.37     2.66     16
 Total:         -1.00   -38.85   355.46                 -5.12   -43.97