REAL300008032770.mol2 39                                                        
   1       C    -0.15    -1.42     9.91      37.15       0.37    -1.05     16
   2       C    -0.16    -1.82     5.80     -26.73      -0.16    -1.98     16
   3       C     0.12     1.90     4.72      -4.04      -0.02     1.88     16
   4       N    -0.94   -17.28     2.45    -108.53      -0.27   -17.54     16
   5       C     0.07     1.52     3.07     -69.08      -0.21     1.31     16
   6       C    -0.14    -2.57     7.62      37.16       0.28    -2.29     16
   7       C     0.50    14.87     7.15      36.01       0.26    15.12     16
   8       O    -0.68   -21.77    15.80     -20.23      -0.32   -22.09     16
   9       O    -0.69   -23.15    17.87     -20.22      -0.36   -23.52     16
  10       S     2.68    43.25     5.68    -107.50      -0.61    42.64     16
  11       O    -0.93   -18.43    15.91     -57.17      -0.91   -19.34     16
  12       O    -0.94   -15.41    15.85     -57.17      -0.91   -16.31     16
  13       C    -0.63    -6.97     5.97     -39.58      -0.24    -7.20     16
  14       C     0.00    -0.03     8.23     -39.58      -0.33    -0.36     16
  15       C    -0.09    -0.40    10.05     -39.58      -0.40    -0.79     16
  16       C    -0.06    -0.41     8.62     -39.58      -0.34    -0.75     16
  17       C     0.30     3.42     4.82     -39.58      -0.19     3.22     16
  18       F    -0.11    -2.07    16.66       2.25       0.04    -2.03     16
  19       F    -0.07    -1.04    15.31       2.25       0.03    -1.00     16
  20       F    -0.16    -2.91    15.31       2.25       0.03    -2.87     16
  21       F    -0.29    -5.04    15.32       2.25       0.03    -5.01     16
  22       F    -0.10    -1.56    15.31       2.25       0.03    -1.53     16
  23       C    -0.01    -0.08     8.10     -39.58      -0.32    -0.40     16
  24       H     0.06     0.62     8.14     -51.93      -0.42     0.19     16
  25       H     0.05     0.43     8.14     -51.93      -0.42     0.00     16
  26       H     0.06     0.48     8.14     -51.93      -0.42     0.05     16
  27       H     0.05     0.45     6.79     -51.93      -0.35     0.10     16
  28       H     0.08     0.97     5.20     -51.93      -0.27     0.69     16
  29       H     0.11     2.08     6.68     -51.93      -0.35     1.73     16
  30       H     0.09     1.27     6.94     -51.93      -0.36     0.91     16
  31       H     0.09     1.99     7.02     -51.93      -0.36     1.62     16
  32       H     0.06     1.09     6.65     -51.93      -0.35     0.74     16
  33       H     0.07     1.37     8.14     -51.93      -0.42     0.94     16
  34       H     0.04     0.65     7.74     -51.93      -0.40     0.25     16
  35       H     0.18     0.84     7.62     -52.49      -0.40     0.44     16
  36       H     0.18     0.00     8.06     -52.49      -0.42    -0.43     16
  37       H     0.18     0.99     7.40     -52.49      -0.39     0.60     16
  38       H     0.19     2.45     6.96     -52.49      -0.37     2.08     16
 Total:         -1.00   -41.74   345.15                 -5.00   -46.73