REAL300007652713.mol2 31                                                        
   1       O    -0.68   -21.03    17.16     -20.23      -0.35   -21.38     16
   2       C     0.52    14.90     6.61      36.01       0.24    15.14     16
   3       O    -0.66   -21.38    17.28     -23.59      -0.41   -21.79     16
   4       C     0.03     0.66     2.62    -132.96      -0.35     0.32     16
   5       N    -1.06   -18.38     5.79      -0.40       0.00   -18.38     16
   6       S     2.69    45.64     5.73    -107.50      -0.62    45.03     16
   7       O    -0.95   -16.66    17.28     -57.17      -0.99   -17.65     16
   8       O    -0.90   -19.29    15.46     -61.66      -0.95   -20.25     16
   9       C    -0.63    -8.05     5.16     -39.58      -0.20    -8.26     16
  10       C     0.01     0.08     8.82     -39.58      -0.35    -0.27     16
  11       C    -0.08    -0.59    10.05     -39.58      -0.40    -0.99     16
  12       C    -0.06    -0.56     8.62     -39.58      -0.34    -0.90     16
  13       C     0.34     4.17     4.82     -39.58      -0.19     3.98     16
  14       F    -0.01    -0.23    16.66       2.25       0.04    -0.19     16
  15       F    -0.19    -3.06    15.31       2.25       0.03    -3.02     16
  16       F    -0.12    -1.96    15.31       2.25       0.03    -1.93     16
  17       F    -0.23    -3.77    15.32       2.25       0.03    -3.73     16
  18       F    -0.22    -3.96    15.31       2.25       0.03    -3.93     16
  19       C    -0.02    -0.19     8.10     -39.58      -0.32    -0.51     16
  20       C    -0.18    -2.95     8.85     -26.73      -0.24    -3.19     16
  21       C    -0.15    -2.51    10.16     -26.73      -0.27    -2.78     16
  22       H     0.42     6.01     8.96     -34.47      -0.31     5.70     16
  23       H     0.19     2.17     7.62     -52.49      -0.40     1.77     16
  24       H     0.19     0.59     8.06     -52.49      -0.42     0.16     16
  25       H     0.18     1.26     7.40     -52.49      -0.39     0.87     16
  26       H     0.19     2.25     6.96     -52.49      -0.37     1.89     16
  27       H     0.08     1.07     7.79     -51.93      -0.40     0.66     16
  28       H     0.12     1.96     7.67     -51.93      -0.40     1.56     16
  29       H     0.10     1.80     8.14     -51.93      -0.42     1.37     16
  30       H     0.09     1.26     8.14     -51.93      -0.42     0.84     16
 Total:         -1.00   -40.76   301.17                 -4.56   -45.31