REAL300017450407.mol2 37                                                        
   1       C     0.03     0.45    11.01     101.05       1.11     1.56     16
   2       O    -0.35    -7.19     9.02     -53.35      -0.48    -7.67     16
   3       C     0.06     1.22     3.41      37.16       0.13     1.35     16
   4       C     0.09     1.94     0.95    -132.97      -0.13     1.82     16
   5       C    -0.15    -2.60     8.09      37.16       0.30    -2.30     16
   6       N    -1.07   -18.11     5.40      -0.40       0.00   -18.11     16
   7       S     2.69    35.69     5.43    -107.50      -0.58    35.11     16
   8       O    -0.94   -13.93    13.61     -57.17      -0.78   -14.71     16
   9       O    -0.95   -13.61    17.48     -57.17      -1.00   -14.61     16
  10       C    -0.67    -6.59     4.22     -39.59      -0.17    -6.75     16
  11       C     0.04     0.28     9.52     -39.59      -0.38    -0.09     16
  12       C    -0.13    -1.07     8.62     -39.59      -0.34    -1.41     16
  13       C     0.41     4.37     4.82     -39.58      -0.19     4.18     16
  14       F    -0.01    -0.19    16.66       2.25       0.04    -0.15     16
  15       F    -0.17    -2.72    15.31       2.25       0.03    -2.68     16
  16       F    -0.13    -1.79    15.32       2.25       0.03    -1.76     16
  17       F    -0.23    -3.53    15.32       2.25       0.03    -3.50     16
  18       F    -0.23    -3.66    15.30       2.25       0.03    -3.62     16
  19       C    -0.13    -1.16     8.62     -39.58      -0.34    -1.50     16
  20       C     0.03     0.29     7.12     -39.58      -0.28     0.00     16
  21       C     0.51    14.64     6.72      36.00       0.24    14.89     16
  22       O    -0.66   -20.96    16.38     -26.18      -0.43   -21.39     16
  23       O    -0.69   -21.39    16.70     -20.23      -0.34   -21.73     16
  24       H     0.03     0.40     8.14     -51.93      -0.42    -0.03     16
  25       H     0.08     1.12     8.14     -51.93      -0.42     0.69     16
  26       H     0.04     0.54     8.14     -51.93      -0.42     0.11     16
  27       H     0.04     0.63     4.22     -51.93      -0.22     0.41     16
  28       H     0.06     1.26     7.73     -51.93      -0.40     0.86     16
  29       H     0.03     0.44     4.31     -51.93      -0.22     0.22     16
  30       H     0.06     1.00     8.14     -51.93      -0.42     0.58     16
  31       H     0.09     1.77     7.71     -51.93      -0.40     1.37     16
  32       H     0.43     7.57     7.82     -34.47      -0.27     7.30     16
  33       H     0.19     0.97     7.79     -52.48      -0.41     0.56     16
  34       H     0.19     1.22     7.40     -52.49      -0.39     0.83     16
  35       H     0.19     1.43     7.40     -52.49      -0.39     1.04     16
  36       H     0.19     1.38     6.00     -52.49      -0.31     1.07     16
 Total:         -1.00   -39.90   327.98                 -3.24   -43.14