REAL300008294188.mol2 37                                                        
   1       O    -0.69   -22.21    15.64     -20.23      -0.32   -22.53     16
   2       C     0.49    14.86     7.86      36.00       0.28    15.15     16
   3       O    -0.71   -24.48    18.00     -20.23      -0.36   -24.84     16
   4       C    -0.18    -3.85     5.14     -27.88      -0.14    -4.00     16
   5       C    -0.07    -1.17     2.51     -88.78      -0.22    -1.39     16
   6       H     0.09     1.65     7.97     -51.93      -0.41     1.24     16
   7       C    -0.12    -1.78     5.85     -24.58      -0.14    -1.93     16
   8       C     0.12     1.29     6.98      -2.53      -0.02     1.27     16
   9       N    -1.00   -10.52     3.70    -111.21      -0.41   -10.93     16
  10       S     2.71    24.39     5.94    -107.50      -0.64    23.75     16
  11       O    -0.94   -10.29    16.86     -57.17      -0.96   -11.25     16
  12       O    -0.94   -10.00    16.88     -57.17      -0.96   -10.96     16
  13       C    -0.68    -4.42     5.97     -39.59      -0.24    -4.66     16
  14       C     0.03     0.18     9.52     -39.59      -0.38    -0.20     16
  15       C    -0.13    -0.86     8.62     -39.58      -0.34    -1.20     16
  16       C     0.41     3.69     4.82     -39.58      -0.19     3.49     16
  17       F     0.00    -0.05    16.67       2.25       0.04    -0.01     16
  18       F    -0.11    -1.59    15.30       2.25       0.03    -1.56     16
  19       F    -0.18    -2.62    15.32       2.25       0.03    -2.59     16
  20       F    -0.24    -3.45    15.32       2.25       0.03    -3.41     16
  21       F    -0.22    -3.19    15.31       2.25       0.03    -3.16     16
  22       C    -0.13    -0.86     8.62     -39.58      -0.34    -1.20     16
  23       C     0.03     0.19     9.52     -39.58      -0.38    -0.18     16
  24       C     0.12     1.42     6.61      -2.91      -0.02     1.40     16
  25       H     0.06     1.19     8.06     -51.93      -0.42     0.78     16
  26       H     0.06     1.24     8.14     -51.93      -0.42     0.82     16
  27       H     0.10     1.82     7.35     -51.93      -0.38     1.44     16
  28       H     0.07     1.02     7.98     -51.93      -0.41     0.60     16
  29       H     0.08     0.83     8.14     -51.93      -0.42     0.40     16
  30       H     0.07     0.57     8.14     -51.93      -0.42     0.15     16
  31       H     0.19     0.53     7.62     -52.48      -0.40     0.13     16
  32       H     0.19     1.02     7.40     -52.49      -0.39     0.63     16
  33       H     0.19     1.00     7.40     -52.48      -0.39     0.62     16
  34       H     0.19     0.63     7.62     -52.49      -0.40     0.23     16
  35       H     0.07     0.69     7.81     -51.93      -0.41     0.28     16
  36       H     0.08     0.86     8.14     -51.93      -0.42     0.44     16
 Total:         -1.00   -42.27   338.75                 -5.81   -48.08