REAL300017209201.mol2 36                                                        
   1       C     0.09     1.26     9.51      59.85       0.57     1.83     16
   2       N    -0.96   -17.64     2.76    -108.95      -0.30   -17.94     16
   3       C     0.10     2.10     0.95    -132.97      -0.13     1.97     16
   4       C    -0.13    -2.23     7.07      37.16       0.26    -1.97     16
   5       C    -0.17    -2.82     7.43      37.16       0.28    -2.54     16
   6       C     0.50    14.66     5.91      36.00       0.21    14.87     16
   7       O    -0.67   -22.04    15.38     -26.91      -0.41   -22.46     16
   8       O    -0.69   -22.35    17.71     -20.23      -0.36   -22.71     16
   9       S     2.69    48.96     4.42    -107.50      -0.47    48.48     16
  10       O    -0.94   -18.84    16.75     -57.17      -0.96   -19.80     16
  11       O    -0.90   -19.47    12.43     -65.85      -0.82   -20.28     16
  12       C    -0.63    -7.57     5.94     -39.58      -0.23    -7.80     16
  13       C    -0.01    -0.07     8.67     -39.59      -0.34    -0.41     16
  14       C    -0.08    -0.40    10.05     -39.58      -0.40    -0.80     16
  15       C    -0.07    -0.48     8.62     -39.58      -0.34    -0.82     16
  16       C     0.34     3.93     4.82     -39.58      -0.19     3.74     16
  17       F    -0.13    -2.63    16.66       2.25       0.04    -2.59     16
  18       F    -0.18    -2.81    15.32       2.25       0.03    -2.77     16
  19       F    -0.16    -2.68    15.30       2.25       0.03    -2.64     16
  20       F    -0.18    -2.78    15.31       2.25       0.03    -2.75     16
  21       F    -0.15    -2.62    15.32       2.25       0.03    -2.58     16
  22       C    -0.02    -0.20     8.10     -39.58      -0.32    -0.52     16
  23       H     0.07     1.02     8.14     -51.93      -0.42     0.60     16
  24       H     0.06     0.69     7.95     -51.93      -0.41     0.28     16
  25       H     0.08     0.98     5.68     -51.93      -0.30     0.68     16
  26       H     0.05     0.68     7.21     -51.93      -0.37     0.30     16
  27       H     0.07     1.34     8.09     -51.93      -0.42     0.92     16
  28       H     0.06     1.03     7.54     -51.93      -0.39     0.64     16
  29       H     0.07     1.14     4.47     -51.93      -0.23     0.91     16
  30       H     0.08     1.43     8.14     -51.93      -0.42     1.01     16
  31       H     0.05     0.58     8.10     -51.93      -0.42     0.16     16
  32       H     0.19     1.42     6.13     -52.49      -0.32     1.10     16
  33       H     0.19     0.11     8.06     -52.49      -0.42    -0.31     16
  34       H     0.19     0.98     7.40     -52.49      -0.39     0.60     16
  35       H     0.19     2.23     7.10     -52.49      -0.37     1.85     16
 Total:         -1.00   -43.06   318.43                 -3.88   -46.94