REAL300008142071.mol2 37                                                        
   1       C    -0.13    -2.46     7.85      37.16       0.29    -2.16     16
   2       C    -0.08    -1.28     3.47     -88.79      -0.31    -1.58     16
   3       C    -0.13    -1.69     6.53     -24.58      -0.16    -1.85     16
   4       C     0.13     1.64     6.98      -2.53      -0.02     1.63     16
   5       N    -0.98   -16.98     3.12    -105.63      -0.33   -17.31     16
   6       S     2.72    47.54     5.41    -107.50      -0.58    46.96     16
   7       O    -0.94   -19.81    16.87     -57.18      -0.96   -20.77     16
   8       O    -0.96   -15.48    16.87     -57.18      -0.96   -16.45     16
   9       C    -0.61   -10.07     4.96     -39.58      -0.20   -10.27     16
  10       C    -0.01    -0.13     9.52     -39.59      -0.38    -0.50     16
  11       C    -0.11    -1.09    10.05     -39.58      -0.40    -1.49     16
  12       C    -0.06    -0.75     8.62     -39.59      -0.34    -1.09     16
  13       C     0.33     6.27     4.82     -39.58      -0.19     6.08     16
  14       F    -0.17    -4.46    16.66       2.25       0.04    -4.43     16
  15       F    -0.21    -4.75    15.31       2.25       0.03    -4.72     16
  16       F    -0.05    -1.39    15.13       2.25       0.03    -1.35     16
  17       F    -0.19    -4.59    15.32       2.25       0.03    -4.55     16
  18       F    -0.18    -4.37    15.31       2.25       0.03    -4.34     16
  19       C     0.09     1.85     4.82     -39.58      -0.19     1.66     16
  20       C     0.08     1.57     3.28     -68.11      -0.22     1.35     16
  21       C     0.49    12.91     5.81      36.01       0.21    13.12     16
  22       O    -0.69   -17.97    10.88     -20.23      -0.22   -18.19     16
  23       O    -0.66   -20.15    15.73     -20.23      -0.32   -20.47     16
  24       H     0.06     1.36     6.86     -51.93      -0.36     1.00     16
  25       H     0.04     0.59     8.14     -51.93      -0.42     0.16     16
  26       H     0.07     1.49     7.16     -51.93      -0.37     1.12     16
  27       H     0.07     1.07     8.14     -51.93      -0.42     0.64     16
  28       H     0.08     0.78     8.14     -51.93      -0.42     0.36     16
  29       H     0.08     1.16     8.02     -51.93      -0.42     0.75     16
  30       H     0.07     0.77     8.14     -51.93      -0.42     0.35     16
  31       H     0.07     0.74     8.14     -51.93      -0.42     0.32     16
  32       H     0.17     1.32     7.62     -52.49      -0.40     0.92     16
  33       H     0.17     0.79     8.06     -52.49      -0.42     0.37     16
  34       H     0.18     2.04     7.40     -52.48      -0.39     1.65     16
  35       H     0.19     4.30     6.24     -52.49      -0.33     3.98     16
  36       H     0.08     1.65     8.14     -51.93      -0.42     1.22     16
 Total:         -1.00   -37.54   323.53                 -5.45   -42.99