REAL300017101063.mol2 37                                                        
   1       C     0.03     0.50    10.82     101.05       1.09     1.60     16
   2       O    -0.36    -6.76     9.48     -35.23      -0.33    -7.10     16
   3       C     0.10     1.71     2.55     -26.73      -0.07     1.64     16
   4       H     0.07     1.23     7.79     -51.93      -0.40     0.82     16
   5       C    -0.17    -2.30     9.31      37.16       0.35    -1.96     16
   6       C     0.07     1.41     2.68     -69.09      -0.18     1.23     16
   7       H     0.09     1.67     7.50     -51.93      -0.39     1.28     16
   8       N    -1.07   -17.56     4.20      -5.88      -0.02   -17.58     16
   9       S     2.70    38.77     5.72    -107.50      -0.61    38.16     16
  10       O    -0.95   -14.17    17.28     -57.17      -0.99   -15.16     16
  11       O    -0.95   -14.35    16.63     -57.17      -0.95   -15.30     16
  12       C    -0.67    -9.30     5.94     -39.58      -0.24    -9.54     16
  13       C     0.05     0.65     9.52     -39.58      -0.38     0.28     16
  14       C    -0.13    -1.76     8.62     -39.58      -0.34    -2.10     16
  15       C     0.42     6.65     4.82     -39.58      -0.19     6.46     16
  16       F    -0.15    -3.36    16.66       2.25       0.04    -3.32     16
  17       F    -0.16    -3.24    15.31       2.25       0.03    -3.21     16
  18       F    -0.18    -3.50    15.31       2.25       0.03    -3.47     16
  19       F    -0.18    -3.50    15.31       2.25       0.03    -3.47     16
  20       F    -0.14    -3.06    15.31       2.25       0.03    -3.03     16
  21       C    -0.13    -1.73     8.62     -39.58      -0.34    -2.07     16
  22       C     0.05     0.61     9.52     -39.59      -0.38     0.23     16
  23       C     0.48    12.72     6.77      36.00       0.24    12.96     16
  24       O    -0.66   -19.29    17.51     -20.57      -0.36   -19.65     16
  25       O    -0.69   -20.78    18.00     -20.23      -0.36   -21.14     16
  26       H     0.04     0.60     8.09     -51.93      -0.42     0.18     16
  27       H     0.03     0.39     7.87     -51.93      -0.41    -0.02     16
  28       H     0.08     1.07     8.14     -51.93      -0.42     0.64     16
  29       H     0.06     0.83     7.38     -51.93      -0.38     0.44     16
  30       H     0.05     0.62     7.87     -51.93      -0.41     0.22     16
  31       H     0.07     0.83     8.14     -51.93      -0.42     0.41     16
  32       H     0.43     6.60     8.45     -34.47      -0.29     6.31     16
  33       H     0.19     2.11     7.62     -52.49      -0.40     1.71     16
  34       H     0.19     2.34     7.40     -52.49      -0.39     1.96     16
  35       H     0.19     2.08     7.40     -52.49      -0.39     1.70     16
  36       H     0.19     1.77     7.62     -52.49      -0.40     1.37     16
 Total:         -1.00   -39.51   347.18                 -3.79   -43.30