REAL300017587194.mol2 39                                                        
   1       C     0.08     0.34    10.68      59.85       0.64     0.97     16
   2       N    -0.99    -6.47     3.18    -121.75      -0.39    -6.85     16
   3       C     0.12     1.04     5.32      -4.04      -0.02     1.01     16
   4       C    -0.14    -1.87     5.54     -26.73      -0.15    -2.01     16
   5       C    -0.09    -1.73     4.50     -26.73      -0.12    -1.85     16
   6       C    -0.18    -4.46     5.78     -27.88      -0.16    -4.62     16
   7       C     0.49    16.01     8.05      36.01       0.29    16.30     16
   8       O    -0.70   -24.45    16.88     -20.22      -0.34   -24.79     16
   9       O    -0.71   -25.93    18.00     -20.23      -0.36   -26.29     16
  10       S     2.69    18.38     5.65    -107.50      -0.61    17.78     16
  11       O    -0.92    -9.36    16.25     -57.17      -0.93   -10.29     16
  12       O    -0.94    -7.84    15.89     -57.17      -0.91    -8.75     16
  13       C    -0.68    -2.68     5.97     -39.58      -0.24    -2.91     16
  14       C     0.03     0.08     9.52     -39.58      -0.38    -0.29     16
  15       C    -0.13    -0.50     8.62     -39.58      -0.34    -0.84     16
  16       C     0.42     2.84     4.82     -39.59      -0.19     2.65     16
  17       F    -0.12    -2.03    16.67       2.25       0.04    -1.99     16
  18       F    -0.16    -2.16    15.30       2.25       0.03    -2.13     16
  19       F    -0.17    -2.24    15.32       2.25       0.03    -2.20     16
  20       F    -0.17    -2.23    15.32       2.25       0.03    -2.20     16
  21       F    -0.17    -2.18    15.31       2.25       0.03    -2.15     16
  22       C    -0.13    -0.59     8.62     -39.58      -0.34    -0.93     16
  23       C     0.04     0.13     9.52     -39.58      -0.38    -0.25     16
  24       H     0.06     0.12     8.14     -51.93      -0.42    -0.30     16
  25       H     0.08     0.34     7.02     -51.93      -0.36    -0.03     16
  26       H     0.09     0.40     8.07     -51.93      -0.42    -0.02     16
  27       H     0.08     0.64     7.61     -51.93      -0.40     0.25     16
  28       H     0.09     0.65     8.11     -51.93      -0.42     0.23     16
  29       H     0.06     0.78     8.14     -51.93      -0.42     0.36     16
  30       H     0.07     0.93     8.14     -51.93      -0.42     0.50     16
  31       H     0.06     1.26     8.10     -51.93      -0.42     0.84     16
  32       H     0.06     1.19     8.10     -51.93      -0.42     0.77     16
  33       H     0.06     1.25     8.14     -51.93      -0.42     0.83     16
  34       H     0.06     1.32     8.14     -51.93      -0.42     0.90     16
  35       H     0.19    -0.07     7.62     -52.48      -0.40    -0.47     16
  36       H     0.19     0.48     7.40     -52.49      -0.39     0.09     16
  37       H     0.20     0.71     7.40     -52.48      -0.39     0.32     16
  38       H     0.20     0.33     7.62     -52.49      -0.40    -0.07     16
 Total:         -1.00   -47.57   358.48                 -5.48   -53.04