REAL300017229136.mol2 39                                                        
   1       C    -0.15    -0.98     9.91      37.16       0.37    -0.61     16
   2       C    -0.15    -1.14     6.26     -26.73      -0.17    -1.31     16
   3       C     0.11     1.02     5.68      -4.05      -0.02     1.00     16
   4       N    -0.98   -11.88     2.78    -114.38      -0.32   -12.19     16
   5       C     0.14     2.39     4.63      -4.04      -0.02     2.37     16
   6       C    -0.20    -4.51     6.10     -27.88      -0.17    -4.68     16
   7       C     0.50    15.22     8.05      36.01       0.29    15.51     16
   8       O    -0.70   -22.71    16.88     -20.23      -0.34   -23.05     16
   9       O    -0.70   -24.35    18.00     -20.22      -0.36   -24.72     16
  10       S     2.68    29.97     5.65    -107.50      -0.61    29.36     16
  11       O    -0.93   -13.67    16.25     -57.17      -0.93   -14.60     16
  12       O    -0.94   -11.07    15.84     -57.17      -0.91   -11.98     16
  13       C    -0.67    -5.07     5.97     -39.58      -0.24    -5.31     16
  14       C     0.03     0.18     8.40     -39.58      -0.33    -0.16     16
  15       C    -0.13    -0.82     8.62     -39.58      -0.34    -1.16     16
  16       C     0.42     3.80     4.82     -39.58      -0.19     3.60     16
  17       F    -0.13    -2.35    16.66       2.25       0.04    -2.32     16
  18       F    -0.16    -2.45    15.30       2.25       0.03    -2.41     16
  19       F    -0.17    -2.53    15.32       2.25       0.03    -2.49     16
  20       F    -0.17    -2.53    15.31       2.25       0.03    -2.50     16
  21       F    -0.17    -2.47    15.31       2.25       0.03    -2.44     16
  22       C    -0.13    -0.93     8.62     -39.58      -0.34    -1.28     16
  23       C     0.04     0.28     9.52     -39.58      -0.38    -0.09     16
  24       H     0.06     0.41     8.14     -51.93      -0.42    -0.01     16
  25       H     0.06     0.35     8.14     -51.93      -0.42    -0.07     16
  26       H     0.06     0.32     8.14     -51.93      -0.42    -0.10     16
  27       H     0.06     0.32     6.98     -51.93      -0.36    -0.04     16
  28       H     0.08     0.66     8.14     -51.93      -0.42     0.23     16
  29       H     0.09     0.93     8.11     -51.93      -0.42     0.51     16
  30       H     0.09     0.75     6.91     -51.93      -0.36     0.40     16
  31       H     0.08     1.40     7.57     -51.93      -0.39     1.01     16
  32       H     0.09     1.44     8.07     -51.94      -0.42     1.02     16
  33       H     0.06     1.31     8.14     -51.93      -0.42     0.89     16
  34       H     0.07     1.48     8.14     -51.93      -0.42     1.06     16
  35       H     0.19     0.50     7.62     -52.49      -0.40     0.10     16
  36       H     0.19     0.88     7.40     -52.49      -0.39     0.49     16
  37       H     0.20     1.19     7.40     -52.49      -0.39     0.80     16
  38       H     0.20     1.13     7.61     -52.49      -0.40     0.73     16
 Total:         -1.00   -43.52   356.44                 -5.53   -49.05