REAL300007568689.mol2 27                                                        
   1       O    -0.68   -21.42    16.62     -20.23      -0.34   -21.76     15
   2       C     0.50    14.26     8.12      36.00       0.29    14.55     15
   3       O    -0.69   -22.19    18.00     -20.23      -0.36   -22.55     15
   4       C     0.04     0.80     6.78      -5.20      -0.04     0.77     15
   5       N    -1.08   -18.41     5.93     -11.66      -0.07   -18.48     15
   6       S     2.69    36.24     5.74    -107.50      -0.62    35.63     15
   7       O    -0.95   -14.68    17.28     -57.17      -0.99   -15.67     15
   8       O    -0.94   -13.89    16.76     -57.17      -0.96   -14.85     15
   9       C    -0.63    -6.20     5.95     -39.58      -0.24    -6.44     15
  10       C     0.00    -0.03     9.52     -39.58      -0.38    -0.41     15
  11       C    -0.08    -0.33    10.05     -39.58      -0.40    -0.73     15
  12       C    -0.06    -0.41     8.62     -39.58      -0.34    -0.75     15
  13       C     0.34     3.78     4.82     -39.58      -0.19     3.59     15
  14       F    -0.13    -2.53    16.66       2.25       0.04    -2.49     15
  15       F    -0.18    -2.83    15.32       2.25       0.03    -2.79     15
  16       F    -0.15    -2.64    15.30       2.25       0.03    -2.60     15
  17       F    -0.17    -2.79    15.31       2.25       0.03    -2.75     15
  18       F    -0.16    -2.66    15.32       2.25       0.03    -2.62     15
  19       C    -0.01    -0.12     8.10     -39.58      -0.32    -0.44     15
  20       H     0.08     1.48     7.75     -51.93      -0.40     1.08     15
  21       H     0.06     1.06     8.14     -51.93      -0.42     0.64     15
  22       H     0.43     7.91     7.70     -34.47      -0.27     7.65     15
  23       H     0.18     0.85     7.62     -52.49      -0.40     0.45     15
  24       H     0.19    -0.03     8.06     -52.49      -0.42    -0.46     15
  25       H     0.19     0.94     7.40     -52.49      -0.39     0.55     15
  26       H     0.19     2.14     6.96     -52.48      -0.37     1.77     15
 Total:         -1.00   -41.70   273.83                 -3.30   -45.00