REAL300010796243.mol2 36                                                        
   1       C    -0.15    -1.62     9.91      37.16       0.37    -1.25     16
   2       C    -0.13    -1.52     5.82     -26.73      -0.16    -1.67     16
   3       C    -0.11    -1.78     4.80     -26.73      -0.13    -1.90     16
   4       C     0.08     1.58     2.64     -69.08      -0.18     1.39     16
   5       N    -1.07   -17.36     4.43      -5.88      -0.03   -17.39     16
   6       S     2.69    39.80     5.65    -107.50      -0.61    39.20     16
   7       O    -0.96   -14.50    17.28     -57.17      -0.99   -15.48     16
   8       O    -0.92   -17.88    17.05     -57.17      -0.97   -18.86     16
   9       C    -0.67    -6.83     5.82     -39.58      -0.23    -7.06     16
  10       C     0.03     0.33     8.88     -39.58      -0.35    -0.02     16
  11       C    -0.13    -1.20     8.62     -39.58      -0.34    -1.54     16
  12       C     0.41     4.37     4.82     -39.58      -0.19     4.18     16
  13       F    -0.01    -0.21    16.65       2.25       0.04    -0.17     16
  14       F    -0.12    -1.77    15.31       2.25       0.03    -1.73     16
  15       F    -0.18    -2.85    15.31       2.25       0.03    -2.82     16
  16       F    -0.24    -3.78    15.30       2.25       0.03    -3.75     16
  17       F    -0.22    -3.39    15.32       2.25       0.03    -3.36     16
  18       C    -0.13    -1.06     8.62     -39.58      -0.34    -1.40     16
  19       C     0.03     0.25     9.52     -39.58      -0.38    -0.13     16
  20       C     0.49    14.05     7.36      36.01       0.26    14.32     16
  21       O    -0.69   -22.46    18.00     -20.22      -0.36   -22.82     16
  22       O    -0.68   -21.68    17.36     -20.23      -0.35   -22.03     16
  23       H     0.05     0.56     8.14     -51.93      -0.42     0.14     16
  24       H     0.05     0.47     8.14     -51.93      -0.42     0.05     16
  25       H     0.05     0.60     8.14     -51.93      -0.42     0.18     16
  26       H     0.06     0.65     8.14     -51.93      -0.42     0.23     16
  27       H     0.06     0.60     7.75     -51.93      -0.40     0.19     16
  28       H     0.07     1.10     8.14     -51.93      -0.42     0.68     16
  29       H     0.08     1.45     8.14     -51.93      -0.42     1.03     16
  30       H     0.07     1.27     7.21     -51.93      -0.37     0.89     16
  31       H     0.42     5.93     8.84     -34.47      -0.30     5.63     16
  32       H     0.19     1.72     7.62     -52.48      -0.40     1.32     16
  33       H     0.19     1.53     7.40     -52.48      -0.39     1.14     16
  34       H     0.19     1.16     7.40     -52.49      -0.39     0.77     16
  35       H     0.19     0.90     7.62     -52.49      -0.40     0.50     16
 Total:         -1.00   -41.57   337.18                 -4.91   -46.48