REAL300007972629.mol2 33                                                        
   1       C    -0.18    -1.89     9.52      37.16       0.35    -1.53     16
   2       C     0.16     2.59     2.47     -67.93      -0.17     2.42     16
   3       H     0.09     1.53     7.31     -51.93      -0.38     1.15     16
   4       C    -0.19    -3.98     5.38     -27.89      -0.15    -4.13     16
   5       C     0.49    14.42     7.92      36.00       0.29    14.70     16
   6       O    -0.68   -21.41    16.01     -20.36      -0.33   -21.74     16
   7       O    -0.71   -24.26    18.00     -20.23      -0.36   -24.62     16
   8       N    -1.08   -16.77     4.61      -4.89      -0.02   -16.80     16
   9       S     2.69    39.67     5.72    -107.50      -0.61    39.05     16
  10       O    -0.95   -15.91    17.28     -57.17      -0.99   -16.90     16
  11       O    -0.90   -16.46    16.39     -57.35      -0.94   -17.40     16
  12       C    -0.63    -6.02     5.07     -39.58      -0.20    -6.22     16
  13       C    -0.01    -0.04     8.56     -39.59      -0.34    -0.38     16
  14       C    -0.08    -0.28    10.05     -39.58      -0.40    -0.67     16
  15       C    -0.07    -0.39     8.62     -39.58      -0.34    -0.73     16
  16       C     0.35     3.58     4.82     -39.58      -0.19     3.39     16
  17       F    -0.13    -2.53    16.66       2.25       0.04    -2.49     16
  18       F    -0.18    -2.71    15.31       2.25       0.03    -2.67     16
  19       F    -0.16    -2.63    15.31       2.25       0.03    -2.59     16
  20       F    -0.18    -2.72    15.32       2.25       0.03    -2.69     16
  21       F    -0.16    -2.59    15.31       2.25       0.03    -2.56     16
  22       C    -0.01    -0.15     8.10     -39.58      -0.32    -0.47     16
  23       H     0.06     0.67     8.14     -51.93      -0.42     0.24     16
  24       H     0.04     0.36     6.15     -51.93      -0.32     0.04     16
  25       H     0.07     0.68     8.14     -51.93      -0.42     0.25     16
  26       H     0.07     1.27     8.14     -51.93      -0.42     0.84     16
  27       H     0.07     1.39     8.14     -51.93      -0.42     0.97     16
  28       H     0.42     6.17     8.84     -34.47      -0.30     5.87     16
  29       H     0.19     0.90     7.62     -52.49      -0.40     0.50     16
  30       H     0.19    -0.16     8.06     -52.48      -0.42    -0.58     16
  31       H     0.19     0.80     7.40     -52.48      -0.39     0.41     16
  32       H     0.20     2.03     6.96     -52.48      -0.37     1.66     16
 Total:         -1.00   -44.86   311.31                 -4.13   -48.99