REAL300008102770.mol2 37                                                        
   1       C    -0.11    -1.58     9.70      37.16       0.36    -1.22     16
   2       C    -0.13    -2.33     2.51    -154.50      -0.39    -2.72     16
   3       C     0.12     2.37     2.91     -69.08      -0.20     2.16     16
   4       N    -1.07   -18.82     3.98      -5.89      -0.02   -18.85     16
   5       S     2.69    42.80     5.65    -107.50      -0.61    42.20     16
   6       O    -0.95   -16.06    17.28     -57.17      -0.99   -17.04     16
   7       O    -0.92   -17.94    17.05     -57.17      -0.97   -18.92     16
   8       C    -0.63    -7.15     5.82     -39.59      -0.23    -7.38     16
   9       C     0.00    -0.01     8.88     -39.59      -0.35    -0.36     16
  10       C    -0.09    -0.49    10.05     -39.58      -0.40    -0.88     16
  11       C    -0.06    -0.42     8.62     -39.58      -0.34    -0.76     16
  12       C     0.29     3.29     4.82     -39.59      -0.19     3.10     16
  13       F    -0.11    -2.06    16.66       2.25       0.04    -2.02     16
  14       F    -0.06    -0.84    15.32       2.25       0.03    -0.80     16
  15       F    -0.18    -3.03    15.30       2.25       0.03    -3.00     16
  16       F    -0.29    -5.00    15.31       2.25       0.03    -4.97     16
  17       F    -0.09    -1.32    15.32       2.25       0.03    -1.29     16
  18       C    -0.01    -0.06     8.10     -39.58      -0.32    -0.38     16
  19       C     0.50    13.95     5.49      36.00       0.20    14.14     16
  20       O    -0.69   -21.26    15.93     -20.23      -0.32   -21.58     16
  21       O    -0.67   -21.41    17.36     -20.23      -0.35   -21.76     16
  22       C    -0.17    -3.15     9.26     -26.73      -0.25    -3.40     16
  23       C    -0.16    -2.81     9.56     -26.73      -0.26    -3.06     16
  24       H     0.06     0.73     7.90     -51.93      -0.41     0.32     16
  25       H     0.06     0.77     6.25     -51.93      -0.32     0.44     16
  26       H     0.05     0.68     8.14     -51.93      -0.42     0.26     16
  27       H     0.07     1.32     7.21     -51.93      -0.37     0.95     16
  28       H     0.42     6.79     7.89     -34.47      -0.27     6.52     16
  29       H     0.18     1.47     7.62     -52.49      -0.40     1.07     16
  30       H     0.18     0.28     8.06     -52.49      -0.42    -0.15     16
  31       H     0.18     1.05     7.40     -52.49      -0.39     0.66     16
  32       H     0.19     2.07     6.96     -52.49      -0.37     1.70     16
  33       H     0.11     2.57     6.19     -51.93      -0.32     2.25     16
  34       H     0.08     1.33     8.05     -51.93      -0.42     0.91     16
  35       H     0.08     1.19     8.14     -51.93      -0.42     0.77     16
  36       H     0.11     2.18     7.09     -51.93      -0.37     1.81     16
 Total:         -1.00   -40.94   337.78                 -5.28   -46.22