REAL300010769032.mol2 33                                                        
   1       C    -0.17    -2.10     9.52      37.16       0.35    -1.75     16
   2       C     0.17     2.67     2.33     -67.93      -0.16     2.51     16
   3       C    -0.20    -3.87     5.38     -27.89      -0.15    -4.03     16
   4       C     0.49    13.36     7.92      36.00       0.28    13.64     16
   5       O    -0.70   -18.24    13.87     -20.23      -0.28   -18.52     16
   6       O    -0.70   -22.94    18.00     -20.23      -0.36   -23.30     16
   7       N    -1.08   -16.31     4.61      -4.89      -0.02   -16.33     16
   8       S     2.70    39.27     5.65    -107.50      -0.61    38.66     16
   9       O    -0.95   -15.89    17.28     -57.17      -0.99   -16.88     16
  10       O    -0.95   -13.49    16.55     -57.17      -0.95   -14.43     16
  11       C    -0.59    -8.64     4.28     -39.58      -0.17    -8.80     16
  12       C     0.00    -0.01     8.88     -39.58      -0.35    -0.37     16
  13       C    -0.08    -0.80    10.05     -39.58      -0.40    -1.19     16
  14       C    -0.06    -0.78     8.62     -39.58      -0.34    -1.12     16
  15       C     0.36     6.33     4.82     -39.58      -0.19     6.14     16
  16       F    -0.16    -3.89    16.66       2.25       0.04    -3.86     16
  17       F    -0.20    -4.09    15.31       2.25       0.03    -4.05     16
  18       F    -0.11    -2.78    15.31       2.25       0.03    -2.74     16
  19       F    -0.16    -3.60    15.32       2.25       0.03    -3.57     16
  20       F    -0.18    -4.02    15.31       2.25       0.03    -3.98     16
  21       C     0.02     0.31     7.36     -39.58      -0.29     0.02     16
  22       H     0.06     0.70     8.14     -51.93      -0.42     0.28     16
  23       H     0.06     0.76     7.64     -51.93      -0.40     0.37     16
  24       H     0.06     0.67     8.14     -51.93      -0.42     0.25     16
  25       H     0.08     1.18     7.02     -51.93      -0.36     0.82     16
  26       H     0.07     1.33     8.14     -51.93      -0.42     0.90     16
  27       H     0.07     1.24     8.14     -51.93      -0.42     0.82     16
  28       H     0.42     5.98     8.84     -34.47      -0.30     5.68     16
  29       H     0.17     1.34     7.62     -52.49      -0.40     0.94     16
  30       H     0.18     0.82     8.06     -52.49      -0.42     0.40     16
  31       H     0.18     1.97     7.40     -52.49      -0.39     1.58     16
  32       H     0.19     3.21     6.96     -52.49      -0.37     2.84     16
 Total:         -1.00   -40.28   309.13                 -4.12   -44.40