REAL300000721121.mol2 39                                                        
   1       C    -0.11    -2.36     9.18      37.16       0.34    -2.02     16
   2       C    -0.14    -3.42     3.10     -27.88      -0.09    -3.51     16
   3       S    -0.18    -3.93    19.09    -107.50      -2.05    -5.99     16
   4       C    -0.09    -1.66     3.03     -27.88      -0.08    -1.74     16
   5       C    -0.14    -2.07     9.04      37.16       0.34    -1.73     16
   6       C     0.55     8.52     7.00     -10.99      -0.08     8.45     16
   7       O    -0.51    -9.49    16.04       5.55       0.09    -9.41     16
   8       N    -0.73    -7.42     5.55     -61.47      -0.34    -7.77     16
   9       C     0.16     1.12     5.80      -5.19      -0.03     1.09     16
  10       C    -0.05    -0.25     5.25    -104.62      -0.55    -0.80     16
  11       C    -0.08    -0.19     9.70     -39.58      -0.38    -0.57     16
  12       C    -0.07    -0.10    10.05     -39.58      -0.40    -0.49     16
  13       C    -0.10    -0.45     8.62     -39.58      -0.34    -0.79     16
  14       C     0.36     2.82     4.82     -39.58      -0.19     2.63     16
  15       F    -0.01    -0.16    16.67       2.25       0.04    -0.12     16
  16       F    -0.13    -1.62    15.32       2.25       0.03    -1.59     16
  17       F    -0.17    -2.53    15.30       2.25       0.03    -2.49     16
  18       F    -0.24    -3.37    15.31       2.25       0.03    -3.33     16
  19       F    -0.23    -3.22    15.32       2.25       0.03    -3.19     16
  20       C    -0.10    -0.60     8.28     -39.58      -0.33    -0.93     16
  21       C     0.49    15.40     6.79      36.00       0.24    15.65     16
  22       O    -0.69   -23.87    18.00     -20.23      -0.36   -24.23     16
  23       O    -0.67   -22.50    17.04     -20.23      -0.34   -22.85     16
  24       H     0.07     1.38     8.14     -51.93      -0.42     0.96     16
  25       H     0.06     1.31     8.14     -51.93      -0.42     0.89     16
  26       H     0.05     0.96     8.14     -51.93      -0.42     0.54     16
  27       H     0.08     1.80     7.09     -51.92      -0.37     1.43     16
  28       H     0.11     2.23     7.90     -51.93      -0.41     1.82     16
  29       H     0.07     1.05     8.14     -51.93      -0.42     0.62     16
  30       H     0.06     0.72     8.14     -51.93      -0.42     0.30     16
  31       H     0.07     1.17     7.09     -51.93      -0.37     0.81     16
  32       H     0.41     3.37     8.46     -40.82      -0.35     3.02     16
  33       H     0.09     0.64     8.09     -51.93      -0.42     0.22     16
  34       H     0.10     0.65     8.09     -51.93      -0.42     0.23     16
  35       H     0.17     0.13     8.06     -52.48      -0.42    -0.29     16
  36       H     0.18    -0.31     8.06     -52.49      -0.42    -0.73     16
  37       H     0.18     0.64     7.40     -52.49      -0.39     0.26     16
  38       H     0.18     1.20     7.40     -52.49      -0.39     0.82     16
 Total:         -1.00   -44.39   362.63                 -4.99   -49.38