REAL300007568690.mol2 27                                                        
   1       O    -0.68   -21.21    16.62     -20.23      -0.34   -21.54     15
   2       C     0.50    14.20     8.12      36.00       0.29    14.49     15
   3       O    -0.69   -22.25    18.00     -20.23      -0.36   -22.62     15
   4       C     0.04     0.81     6.78      -5.20      -0.04     0.77     15
   5       N    -1.08   -17.67     5.93     -11.66      -0.07   -17.74     15
   6       S     2.69    34.03     5.74    -107.50      -0.62    33.42     15
   7       O    -0.95   -13.23    17.28     -57.17      -0.99   -14.22     15
   8       O    -0.94   -14.00    16.76     -57.17      -0.96   -14.96     15
   9       C    -0.67    -6.18     5.95     -39.58      -0.24    -6.42     15
  10       C     0.03     0.27     9.52     -39.58      -0.38    -0.10     15
  11       C    -0.13    -1.10     8.62     -39.59      -0.34    -1.44     15
  12       C     0.41     4.31     4.82     -39.58      -0.19     4.12     15
  13       F    -0.01    -0.15    16.66       2.25       0.04    -0.11     15
  14       F    -0.22    -3.48    15.31       2.25       0.03    -3.45     15
  15       F    -0.24    -3.73    15.31       2.25       0.03    -3.70     15
  16       F    -0.18    -2.81    15.31       2.25       0.03    -2.77     15
  17       F    -0.12    -1.73    15.32       2.25       0.03    -1.70     15
  18       C    -0.13    -1.09     8.62     -39.58      -0.34    -1.43     15
  19       C     0.03     0.26     9.52     -39.58      -0.38    -0.11     15
  20       H     0.08     1.50     7.75     -51.93      -0.40     1.09     15
  21       H     0.06     1.07     8.14     -51.93      -0.42     0.65     15
  22       H     0.43     7.46     7.70     -34.47      -0.27     7.20     15
  23       H     0.19     1.15     7.62     -52.48      -0.40     0.75     15
  24       H     0.19     1.29     7.40     -52.49      -0.39     0.91     15
  25       H     0.19     1.28     7.40     -52.49      -0.39     0.89     15
  26       H     0.19     0.96     7.61     -52.49      -0.40     0.56     15
 Total:         -1.00   -40.02   273.82                 -3.30   -43.32