REAL300008038291.mol2 36                                                        
   1       C    -0.15    -1.73     9.91      37.16       0.37    -1.37     16
   2       C    -0.13    -1.63     5.82     -26.73      -0.16    -1.78     16
   3       C    -0.11    -1.85     4.80     -26.73      -0.13    -1.97     16
   4       C     0.08     1.64     2.63     -69.08      -0.18     1.46     16
   5       H     0.07     1.28     7.21     -51.93      -0.37     0.90     16
   6       N    -1.07   -18.60     4.59      -5.88      -0.03   -18.62     16
   7       S     2.69    42.94     5.65    -107.50      -0.61    42.34     16
   8       O    -0.95   -16.26    17.28     -57.17      -0.99   -17.25     16
   9       O    -0.92   -18.13    17.05     -57.17      -0.97   -19.10     16
  10       C    -0.63    -7.22     5.82     -39.58      -0.23    -7.45     16
  11       C     0.00    -0.04     8.88     -39.58      -0.35    -0.39     16
  12       C    -0.08    -0.46    10.05     -39.58      -0.40    -0.86     16
  13       C    -0.06    -0.47     8.62     -39.59      -0.34    -0.81     16
  14       C     0.34     3.86     4.82     -39.59      -0.19     3.67     16
  15       F    -0.01    -0.21    16.67       2.25       0.04    -0.17     16
  16       F    -0.25    -3.90    15.32       2.25       0.03    -3.87     16
  17       F    -0.21    -3.49    15.30       2.25       0.03    -3.46     16
  18       F    -0.13    -1.85    15.31       2.25       0.03    -1.81     16
  19       F    -0.17    -2.86    15.32       2.25       0.03    -2.82     16
  20       C    -0.01    -0.15     8.10     -39.58      -0.32    -0.47     16
  21       C     0.49    14.25     7.23      36.01       0.26    14.51     16
  22       O    -0.69   -22.49    18.00     -20.23      -0.36   -22.86     16
  23       O    -0.68   -22.00    17.59     -20.22      -0.36   -22.36     16
  24       H     0.05     0.60     8.14     -51.93      -0.42     0.18     16
  25       H     0.05     0.62     8.14     -51.93      -0.42     0.20     16
  26       H     0.05     0.53     8.14     -51.93      -0.42     0.11     16
  27       H     0.06     0.65     8.14     -51.93      -0.42     0.23     16
  28       H     0.06     0.72     7.75     -51.93      -0.40     0.32     16
  29       H     0.07     1.22     8.14     -51.93      -0.42     0.80     16
  30       H     0.08     1.35     8.14     -51.93      -0.42     0.93     16
  31       H     0.42     6.60     8.84     -34.47      -0.30     6.30     16
  32       H     0.18     1.51     7.62     -52.49      -0.40     1.11     16
  33       H     0.19     0.26     8.06     -52.49      -0.42    -0.16     16
  34       H     0.18     1.02     7.40     -52.48      -0.39     0.64     16
  35       H     0.19     2.21     6.96     -52.49      -0.37     1.85     16
 Total:         -1.00   -42.04   337.44                 -4.92   -46.96