REAL300017045393.mol2 37                                                        
   1       C    -0.21    -2.51    13.89      29.01       0.40    -2.10     16
   2       C    -0.11    -1.49     5.14    -101.07      -0.52    -2.01     16
   3       C    -0.13    -1.50     9.92      36.00       0.36    -1.14     16
   4       C    -0.08    -1.32     4.96     -27.88      -0.14    -1.45     16
   5       C     0.09     1.78     2.62     -69.08      -0.18     1.60     16
   6       N    -1.07   -18.02     4.02      -5.88      -0.02   -18.05     16
   7       S     2.69    41.68     5.65    -107.50      -0.61    41.07     16
   8       O    -0.95   -15.69    17.28     -57.17      -0.99   -16.67     16
   9       O    -0.92   -17.62    17.05     -57.17      -0.97   -18.59     16
  10       C    -0.62    -6.88     5.82     -39.58      -0.23    -7.11     16
  11       C     0.00    -0.03     8.88     -39.59      -0.35    -0.38     16
  12       C    -0.08    -0.39    10.05     -39.59      -0.40    -0.79     16
  13       C    -0.06    -0.45     8.62     -39.59      -0.34    -0.79     16
  14       C     0.35     3.82     4.82     -39.59      -0.19     3.63     16
  15       F    -0.14    -2.70    16.65       2.25       0.04    -2.66     16
  16       F    -0.18    -2.79    15.30       2.25       0.03    -2.75     16
  17       F    -0.15    -2.54    15.31       2.25       0.03    -2.51     16
  18       F    -0.17    -2.64    15.32       2.25       0.03    -2.60     16
  19       F    -0.16    -2.67    15.31       2.25       0.03    -2.64     16
  20       C    -0.01    -0.14     8.10     -39.58      -0.32    -0.46     16
  21       C     0.49    13.92     7.23      36.01       0.26    14.18     16
  22       O    -0.69   -21.96    18.00     -20.22      -0.36   -22.33     16
  23       O    -0.68   -21.45    17.59     -20.23      -0.36   -21.80     16
  24       H     0.09     1.00     8.04     -52.48      -0.42     0.58     16
  25       H     0.10     1.15     7.99     -52.49      -0.42     0.73     16
  26       H     0.07     0.76     8.14     -51.93      -0.42     0.34     16
  27       H     0.06     0.73     6.08     -51.93      -0.32     0.42     16
  28       H     0.06     0.69     8.06     -51.93      -0.42     0.27     16
  29       H     0.08     1.32     8.14     -51.93      -0.42     0.89     16
  30       H     0.09     1.46     7.99     -51.92      -0.41     1.05     16
  31       H     0.08     1.28     7.21     -51.93      -0.37     0.91     16
  32       H     0.42     6.37     7.70     -34.47      -0.27     6.11     16
  33       H     0.19     1.44     7.62     -52.48      -0.40     1.04     16
  34       H     0.19     0.18     8.06     -52.48      -0.42    -0.25     16
  35       H     0.19     0.98     7.40     -52.49      -0.39     0.59     16
  36       H     0.19     2.10     6.96     -52.48      -0.37     1.73     16
 Total:         -1.00   -42.11   346.89                 -4.61   -46.72