REAL300007648991.mol2 37                                                        
   1       C    -0.12    -2.09     8.55      37.16       0.32    -1.77     16
   2       C    -0.14    -2.90     0.87    -153.51      -0.13    -3.03     16
   3       C     0.51    14.83     6.78      36.01       0.24    15.07     16
   4       O    -0.69   -22.50    17.83     -20.23      -0.36   -22.86     16
   5       O    -0.69   -22.24    16.65     -20.23      -0.34   -22.57     16
   6       C    -0.10    -1.71     5.90     -24.90      -0.15    -1.86     16
   7       C     0.12     1.51     6.59      -3.06      -0.02     1.49     16
   8       N    -1.00   -13.29     3.68    -111.42      -0.41   -13.70     16
   9       S     2.71    29.78     5.93    -107.50      -0.64    29.15     16
  10       O    -0.93   -12.57    16.87     -57.17      -0.96   -13.54     16
  11       O    -0.94   -11.29    16.87     -57.17      -0.96   -12.25     16
  12       C    -0.67    -5.28     5.97     -39.58      -0.24    -5.51     16
  13       C     0.03     0.19     9.52     -39.58      -0.38    -0.19     16
  14       C    -0.12    -0.84     8.62     -39.59      -0.34    -1.18     16
  15       C     0.36     3.42     4.82     -39.58      -0.19     3.23     16
  16       F    -0.10    -1.79    16.66       2.25       0.04    -1.75     16
  17       F    -0.27    -4.36    15.31       2.25       0.03    -4.33     16
  18       F    -0.12    -1.62    15.32       2.25       0.03    -1.59     16
  19       F    -0.07    -0.86    15.32       2.25       0.03    -0.82     16
  20       F    -0.17    -2.61    15.31       2.25       0.03    -2.58     16
  21       C    -0.12    -0.92     8.62     -39.59      -0.34    -1.26     16
  22       C     0.03     0.23     9.52     -39.59      -0.38    -0.15     16
  23       C     0.14     2.53     5.54      -2.53      -0.01     2.52     16
  24       H     0.04     0.54     7.80     -51.93      -0.40     0.13     16
  25       H     0.06     1.23     8.07     -51.93      -0.42     0.81     16
  26       H     0.05     0.88     8.14     -51.93      -0.42     0.45     16
  27       H     0.07     1.36     8.03     -51.93      -0.42     0.94     16
  28       H     0.08     1.28     8.05     -51.93      -0.42     0.86     16
  29       H     0.07     0.82     8.14     -51.93      -0.42     0.40     16
  30       H     0.06     0.58     8.14     -51.93      -0.42     0.16     16
  31       H     0.19     0.64     7.62     -52.49      -0.40     0.24     16
  32       H     0.19     0.95     7.40     -52.49      -0.39     0.56     16
  33       H     0.19     1.20     7.40     -52.49      -0.39     0.81     16
  34       H     0.19     1.02     7.62     -52.48      -0.40     0.62     16
  35       H     0.07     1.09     8.05     -51.93      -0.42     0.68     16
  36       H     0.09     1.81     7.45     -51.93      -0.39     1.43     16
 Total:         -1.00   -40.99   338.96                 -5.32   -46.30