REAL300008076472.mol2 36                                                        
   1       C    -0.14    -2.42     8.57      37.16       0.32    -2.10     16
   2       C    -0.08    -1.37     2.89     -90.62      -0.26    -1.63     16
   3       C    -0.14    -2.45     8.94      37.16       0.33    -2.12     16
   4       C     0.07     1.36     2.56     -69.08      -0.18     1.19     16
   5       H     0.08     1.58     7.50     -51.93      -0.39     1.19     16
   6       N    -1.08   -17.56     5.11      -5.88      -0.03   -17.59     16
   7       S     2.70    39.75     5.72    -107.50      -0.61    39.13     16
   8       O    -0.96   -14.33    17.28     -57.17      -0.99   -15.32     16
   9       O    -0.95   -15.21    16.63     -57.17      -0.95   -16.16     16
  10       C    -0.66    -9.45     5.94     -39.58      -0.24    -9.68     16
  11       C     0.04     0.59     9.52     -39.58      -0.38     0.21     16
  12       C    -0.11    -1.71     8.62     -39.58      -0.34    -2.05     16
  13       C     0.38     5.92     4.82     -39.58      -0.19     5.73     16
  14       F    -0.12    -2.68    16.66       2.25       0.04    -2.64     16
  15       F    -0.08    -1.57    15.31       2.25       0.03    -1.53     16
  16       F    -0.31    -6.32    15.32       2.25       0.03    -6.28     16
  17       F    -0.06    -1.10    15.32       2.25       0.03    -1.07     16
  18       F    -0.17    -3.72    15.31       2.25       0.03    -3.68     16
  19       C    -0.13    -1.64     8.62     -39.58      -0.34    -1.98     16
  20       C     0.04     0.51     9.52     -39.59      -0.38     0.13     16
  21       C     0.49    12.37     5.53      36.00       0.20    12.57     16
  22       O    -0.68   -18.88    16.58     -20.23      -0.34   -19.22     16
  23       O    -0.69   -20.09    17.09     -20.23      -0.35   -20.44     16
  24       H     0.05     0.77     6.73     -51.93      -0.35     0.42     16
  25       H     0.07     1.51     6.56     -51.93      -0.34     1.17     16
  26       H     0.04     0.63     8.14     -51.93      -0.42     0.21     16
  27       H     0.07     0.96     8.14     -51.93      -0.42     0.54     16
  28       H     0.07     1.50     6.78     -51.93      -0.35     1.15     16
  29       H     0.05     0.85     8.14     -51.93      -0.42     0.42     16
  30       H     0.05     0.69     8.14     -51.93      -0.42     0.26     16
  31       H     0.42     6.11     7.32     -34.46      -0.25     5.85     16
  32       H     0.19     2.29     7.62     -52.49      -0.40     1.89     16
  33       H     0.19     2.63     7.40     -52.49      -0.39     2.24     16
  34       H     0.18     1.77     7.40     -52.49      -0.39     1.38     16
  35       H     0.19     1.72     7.62     -52.48      -0.40     1.32     16
 Total:         -1.00   -37.02   329.33                 -4.53   -41.54