REAL300007676686.mol2 34                                                        
   1       O    -0.69   -22.65    17.46     -20.23      -0.35   -23.00     16
   2       C     0.50    14.71     7.39      36.00       0.27    14.97     16
   3       O    -0.69   -22.44    17.01     -20.23      -0.34   -22.78     16
   4       C    -0.16    -3.44     3.46     -89.94      -0.31    -3.75     16
   5       C    -0.10    -1.76     6.13     -24.58      -0.15    -1.91     16
   6       C     0.12     1.46     6.98      -2.53      -0.02     1.44     16
   7       N    -1.00   -13.49     3.70    -111.41      -0.41   -13.90     16
   8       S     2.71    30.65     5.94    -107.50      -0.64    30.01     16
   9       O    -0.94   -12.67    16.86     -57.17      -0.96   -13.64     16
  10       O    -0.94   -11.40    16.88     -57.17      -0.96   -12.37     16
  11       C    -0.68    -6.01     5.97     -39.58      -0.24    -6.25     16
  12       C     0.03     0.22     9.52     -39.58      -0.38    -0.15     16
  13       C    -0.13    -1.08     8.62     -39.59      -0.34    -1.42     16
  14       C     0.41     4.42     4.82     -39.59      -0.19     4.23     16
  15       F    -0.01    -0.14    16.66       2.25       0.04    -0.10     16
  16       F    -0.22    -3.65    15.31       2.25       0.03    -3.61     16
  17       F    -0.24    -3.64    15.32       2.25       0.03    -3.61     16
  18       F    -0.12    -1.82    15.32       2.25       0.03    -1.79     16
  19       F    -0.17    -2.79    15.31       2.25       0.03    -2.76     16
  20       C    -0.13    -1.15     8.62     -39.58      -0.34    -1.49     16
  21       C     0.04     0.32     9.52     -39.58      -0.38    -0.06     16
  22       C     0.14     2.42     6.27      -3.06      -0.02     2.40     16
  23       H     0.08     1.60     8.14     -51.93      -0.42     1.17     16
  24       H     0.08     1.29     8.14     -51.93      -0.42     0.87     16
  25       H     0.07     1.36     8.04     -51.93      -0.42     0.94     16
  26       H     0.07     0.82     8.14     -51.93      -0.42     0.40     16
  27       H     0.07     0.65     8.14     -51.93      -0.42     0.22     16
  28       H     0.19     0.80     7.62     -52.48      -0.40     0.40     16
  29       H     0.19     1.26     7.40     -52.49      -0.39     0.88     16
  30       H     0.19     1.43     7.40     -52.49      -0.39     1.04     16
  31       H     0.19     1.26     7.62     -52.49      -0.40     0.87     16
  32       H     0.08     1.42     7.41     -51.93      -0.38     1.04     16
  33       H     0.07     1.20     8.14     -51.93      -0.42     0.78     16
 Total:         -1.00   -40.82   319.26                 -5.28   -46.10