REAL300007708516.mol2 34                                                        
   1       C    -0.20    -2.38    14.32      29.01       0.42    -1.97     16
   2       C    -0.15    -1.92     9.25     -36.03      -0.33    -2.26     16
   3       C    -0.09    -1.44     5.24     -27.88      -0.15    -1.59     16
   4       C     0.09     1.70     2.62     -69.08      -0.18     1.52     16
   5       N    -1.07   -17.91     4.83      -5.88      -0.03   -17.94     16
   6       S     2.69    41.07     5.65    -107.50      -0.61    40.46     16
   7       O    -0.95   -15.52    17.28     -57.17      -0.99   -16.51     16
   8       O    -0.92   -17.45    17.05     -57.17      -0.97   -18.42     16
   9       C    -0.63    -6.75     5.82     -39.58      -0.23    -6.98     16
  10       C     0.00    -0.03     8.88     -39.58      -0.35    -0.38     16
  11       C    -0.08    -0.39    10.05     -39.59      -0.40    -0.78     16
  12       C    -0.06    -0.45     8.62     -39.58      -0.34    -0.79     16
  13       C     0.35     3.85     4.82     -39.58      -0.19     3.66     16
  14       F    -0.13    -2.61    16.66       2.25       0.04    -2.57     16
  15       F    -0.18    -2.79    15.31       2.25       0.03    -2.76     16
  16       F    -0.16    -2.69    15.31       2.25       0.03    -2.66     16
  17       F    -0.18    -2.76    15.32       2.25       0.03    -2.73     16
  18       F    -0.16    -2.67    15.31       2.25       0.03    -2.63     16
  19       C    -0.02    -0.16     8.10     -39.58      -0.32    -0.48     16
  20       C     0.49    13.95     7.23      36.01       0.26    14.21     16
  21       O    -0.69   -22.02    18.00     -20.23      -0.36   -22.38     16
  22       O    -0.68   -21.51    17.59     -20.23      -0.36   -21.86     16
  23       H     0.10     1.12     7.84     -52.48      -0.41     0.70     16
  24       H     0.09     0.97     8.06     -52.49      -0.42     0.55     16
  25       H     0.10     1.21     8.03     -52.49      -0.42     0.79     16
  26       H     0.08     1.37     8.14     -51.93      -0.42     0.95     16
  27       H     0.08     1.43     7.79     -51.93      -0.40     1.02     16
  28       H     0.08     1.28     7.21     -51.93      -0.37     0.91     16
  29       H     0.42     6.30     8.84     -34.46      -0.30     6.00     16
  30       H     0.19     1.41     7.62     -52.49      -0.40     1.01     16
  31       H     0.19     0.15     8.06     -52.48      -0.42    -0.27     16
  32       H     0.19     0.97     7.40     -52.49      -0.39     0.58     16
  33       H     0.20     2.10     6.96     -52.49      -0.37     1.73     16
 Total:         -1.00   -42.58   329.21                 -4.34   -46.92