REAL300007578382.mol2 39                                                        
   1       C    -0.16    -1.39     8.98      37.16       0.33    -1.06     16
   2       C    -0.16    -1.63     5.11     -26.73      -0.14    -1.76     16
   3       C     0.16     2.38     2.66     -67.94      -0.18     2.20     16
   4       C    -0.19    -3.10     9.21      37.16       0.34    -2.76     16
   5       N    -0.95   -16.02     1.57    -108.57      -0.17   -16.19     16
   6       C     0.05     1.04     5.84      -5.19      -0.03     1.01     16
   7       C     0.48    14.04     8.12      36.01       0.29    14.34     16
   8       O    -0.67   -21.22    16.07     -20.22      -0.32   -21.55     16
   9       O    -0.70   -23.08    18.00     -20.23      -0.36   -23.45     16
  10       S     2.69    42.45     4.83    -107.50      -0.52    41.93     16
  11       O    -0.92   -18.54    16.70     -57.18      -0.95   -19.50     16
  12       O    -0.94   -14.93    12.23     -57.18      -0.70   -15.63     16
  13       C    -0.67    -7.01     4.99     -39.58      -0.20    -7.21     16
  14       C     0.03     0.21     7.65     -39.59      -0.30    -0.09     16
  15       C    -0.12    -0.99     8.62     -39.59      -0.34    -1.33     16
  16       C     0.36     3.70     4.82     -39.58      -0.19     3.51     16
  17       F    -0.11    -1.94    16.66       2.25       0.04    -1.90     16
  18       F    -0.11    -1.56    15.31       2.25       0.03    -1.52     16
  19       F    -0.28    -4.59    15.32       2.25       0.03    -4.55     16
  20       F    -0.18    -2.79    15.32       2.25       0.03    -2.76     16
  21       F    -0.06    -0.84    15.31       2.25       0.03    -0.81     16
  22       C    -0.12    -1.04     8.62     -39.58      -0.34    -1.39     16
  23       C     0.03     0.28     9.52     -39.58      -0.38    -0.10     16
  24       H     0.06     0.54     8.14     -51.93      -0.42     0.12     16
  25       H     0.05     0.48     6.54     -51.93      -0.34     0.14     16
  26       H     0.05     0.38     8.14     -51.93      -0.42    -0.04     16
  27       H     0.09     0.73     8.14     -51.93      -0.42     0.31     16
  28       H     0.07     0.66     3.43     -51.93      -0.18     0.48     16
  29       H     0.09     1.32     7.82     -51.92      -0.41     0.91     16
  30       H     0.08     1.74     6.84     -51.93      -0.36     1.38     16
  31       H     0.06     0.73     8.14     -51.93      -0.42     0.30     16
  32       H     0.08     1.41     5.42     -51.93      -0.28     1.13     16
  33       H     0.07     1.25     7.83     -51.93      -0.41     0.84     16
  34       H     0.08     1.41     7.96     -51.93      -0.41     1.00     16
  35       H     0.19     1.13     6.04     -52.49      -0.32     0.81     16
  36       H     0.19     1.17     7.40     -52.49      -0.39     0.79     16
  37       H     0.19     1.29     7.40     -52.49      -0.39     0.90     16
  38       H     0.19     1.48     7.78     -52.48      -0.41     1.07     16
 Total:         -1.00   -40.85   338.45                 -4.46   -45.31