REAL300017130035.mol2 39                                                        
   1       C    -0.18    -0.89    10.24      37.16       0.38    -0.51     16
   2       C     0.10     0.78     6.40      -4.04      -0.03     0.75     16
   3       N    -0.98    -9.42     2.78    -114.38      -0.32    -9.74     16
   4       C     0.12     1.37     5.35      -4.04      -0.02     1.35     16
   5       C    -0.11    -2.12     4.82     -26.73      -0.13    -2.25     16
   6       C    -0.18    -4.19     5.78     -27.88      -0.16    -4.36     16
   7       C     0.49    15.80     8.06      36.01       0.29    16.09     16
   8       O    -0.70   -24.32    16.88     -20.22      -0.34   -24.66     16
   9       O    -0.71   -25.44    18.00     -20.22      -0.36   -25.81     16
  10       S     2.68    26.09     5.65    -107.50      -0.61    25.48     16
  11       O    -0.92   -12.26    16.25     -57.17      -0.93   -13.18     16
  12       O    -0.94   -10.46    15.84     -57.17      -0.91   -11.37     16
  13       C    -0.67    -4.02     5.97     -39.58      -0.24    -4.26     16
  14       C     0.03     0.12     8.40     -39.58      -0.33    -0.21     16
  15       C    -0.12    -0.62     8.62     -39.58      -0.34    -0.96     16
  16       C     0.36     2.78     4.82     -39.58      -0.19     2.58     16
  17       F    -0.10    -1.61    16.66       2.25       0.04    -1.57     16
  18       F    -0.06    -0.71    15.31       2.25       0.03    -0.67     16
  19       F    -0.18    -2.39    15.32       2.25       0.03    -2.36     16
  20       F    -0.27    -4.00    15.32       2.25       0.03    -3.97     16
  21       F    -0.12    -1.39    15.31       2.25       0.03    -1.35     16
  22       C    -0.12    -0.70     8.62     -39.58      -0.34    -1.04     16
  23       C     0.03     0.16     9.52     -39.59      -0.38    -0.22     16
  24       H     0.06     0.35     8.14     -51.93      -0.42    -0.07     16
  25       H     0.05     0.17     6.98     -51.93      -0.36    -0.19     16
  26       H     0.07     0.30     8.14     -51.93      -0.42    -0.13     16
  27       H     0.10     0.78     8.11     -51.93      -0.42     0.36     16
  28       H     0.10     0.66     6.91     -51.93      -0.36     0.30     16
  29       H     0.08     0.78     7.61     -51.93      -0.40     0.38     16
  30       H     0.08     0.79     8.11     -51.93      -0.42     0.36     16
  31       H     0.07     1.31     8.10     -51.93      -0.42     0.89     16
  32       H     0.07     1.49     8.10     -51.93      -0.42     1.07     16
  33       H     0.06     1.28     8.14     -51.93      -0.42     0.86     16
  34       H     0.06     1.20     8.14     -51.93      -0.42     0.78     16
  35       H     0.19     0.33     7.62     -52.49      -0.40    -0.07     16
  36       H     0.19     0.65     7.40     -52.49      -0.39     0.26     16
  37       H     0.19     0.88     7.40     -52.48      -0.39     0.49     16
  38       H     0.19     0.66     7.62     -52.48      -0.40     0.26     16
 Total:         -1.00   -45.85   356.44                 -5.47   -51.32