REAL300007972630.mol2 33                                                        
   1       C    -0.18    -1.85     9.52      37.16       0.35    -1.49     16
   2       C     0.16     2.53     2.47     -67.93      -0.17     2.36     16
   3       H     0.09     1.52     7.31     -51.93      -0.38     1.14     16
   4       C    -0.19    -3.92     5.38     -27.88      -0.15    -4.07     16
   5       C     0.49    14.29     7.92      36.01       0.29    14.58     16
   6       O    -0.68   -21.24    16.01     -20.36      -0.33   -21.57     16
   7       O    -0.71   -24.11    18.00     -20.22      -0.36   -24.47     16
   8       N    -1.08   -15.64     4.61      -4.89      -0.02   -15.67     16
   9       S     2.69    36.40     5.72    -107.50      -0.61    35.79     16
  10       O    -0.95   -14.09    17.28     -57.17      -0.99   -15.08     16
  11       O    -0.91   -16.21    16.39     -57.35      -0.94   -17.15     16
  12       C    -0.67    -5.63     5.07     -39.59      -0.20    -5.83     16
  13       C     0.04     0.28     8.56     -39.58      -0.34    -0.06     16
  14       C    -0.13    -0.94     8.62     -39.58      -0.34    -1.28     16
  15       C     0.41     3.78     4.82     -39.58      -0.19     3.59     16
  16       F    -0.14    -2.49    16.66       2.25       0.04    -2.45     16
  17       F    -0.17    -2.48    15.31       2.25       0.03    -2.45     16
  18       F    -0.16    -2.43    15.32       2.25       0.03    -2.40     16
  19       F    -0.17    -2.46    15.32       2.25       0.03    -2.43     16
  20       F    -0.16    -2.44    15.31       2.25       0.03    -2.40     16
  21       C    -0.13    -0.88     8.62     -39.58      -0.34    -1.22     16
  22       C     0.04     0.23     9.52     -39.59      -0.38    -0.15     16
  23       H     0.07     0.70     8.14     -51.93      -0.42     0.28     16
  24       H     0.06     0.62     8.14     -51.93      -0.42     0.19     16
  25       H     0.04     0.36     6.15     -51.93      -0.32     0.04     16
  26       H     0.06     1.22     8.14     -51.93      -0.42     0.80     16
  27       H     0.07     1.38     8.14     -51.93      -0.42     0.96     16
  28       H     0.42     5.60     8.84     -34.46      -0.30     5.29     16
  29       H     0.20     1.12     7.62     -52.49      -0.40     0.72     16
  30       H     0.19     1.10     7.40     -52.49      -0.39     0.72     16
  31       H     0.19     0.97     7.40     -52.49      -0.39     0.59     16
  32       H     0.19     0.70     7.62     -52.48      -0.40     0.30     16
 Total:         -1.00   -44.00   311.31                 -4.13   -48.13