REAL300007725752.mol2 33                                                        
   1       C    -0.18    -1.68    10.24      37.16       0.38    -1.30     16
   2       C     0.11     1.62     6.39      -4.04      -0.03     1.59     16
   3       N    -0.95   -16.90     2.27    -115.66      -0.26   -17.17     16
   4       C     0.05     1.10     5.91      -5.19      -0.03     1.07     16
   5       C     0.48    14.88     8.12      36.00       0.29    15.17     16
   6       O    -0.68   -22.60    17.32     -20.23      -0.35   -22.95     16
   7       O    -0.69   -24.05    18.00     -20.23      -0.36   -24.41     16
   8       S     2.68    43.98     5.64    -107.50      -0.61    43.37     16
   9       O    -0.92   -19.28    16.25     -57.17      -0.93   -20.21     16
  10       O    -0.94   -15.44    15.84     -57.17      -0.91   -16.35     16
  11       C    -0.63    -6.74     5.97     -39.58      -0.24    -6.98     16
  12       C    -0.01    -0.06     8.40     -39.58      -0.33    -0.39     16
  13       C    -0.08    -0.30    10.05     -39.58      -0.40    -0.69     16
  14       C    -0.07    -0.43     8.62     -39.58      -0.34    -0.77     16
  15       C     0.36     4.06     4.82     -39.58      -0.19     3.87     16
  16       F    -0.13    -2.68    16.66       2.25       0.04    -2.64     16
  17       F    -0.18    -2.99    15.31       2.25       0.03    -2.96     16
  18       F    -0.15    -2.74    15.31       2.25       0.03    -2.71     16
  19       F    -0.18    -3.01    15.32       2.25       0.03    -2.97     16
  20       F    -0.15    -2.77    15.31       2.25       0.03    -2.74     16
  21       C    -0.02    -0.18     8.10     -39.58      -0.32    -0.51     16
  22       H     0.07     0.53     8.14     -51.93      -0.42     0.11     16
  23       H     0.06     0.64     8.14     -51.93      -0.42     0.22     16
  24       H     0.05     0.32     6.98     -51.93      -0.36    -0.04     16
  25       H     0.09     1.52     8.11     -51.93      -0.42     1.10     16
  26       H     0.09     1.18     6.91     -51.93      -0.36     0.82     16
  27       H     0.08     1.61     7.61     -51.93      -0.40     1.22     16
  28       H     0.08     1.54     8.11     -51.93      -0.42     1.12     16
  29       H     0.18     0.68     7.62     -52.49      -0.40     0.28     16
  30       H     0.19    -0.19     8.06     -52.49      -0.42    -0.61     16
  31       H     0.19     0.91     7.40     -52.49      -0.39     0.52     16
  32       H     0.20     2.61     6.96     -52.48      -0.37     2.24     16
 Total:         -1.00   -44.87   313.90                 -4.10   -48.97