REAL300010823235.mol2 36                                                        
   1       C    -0.12    -2.25     8.22      37.16       0.31    -1.95     16
   2       C    -0.14    -2.91     0.71    -155.66      -0.11    -3.02     16
   3       C    -0.12    -2.14     8.21      37.16       0.31    -1.84     16
   4       C     0.14     2.30     4.40      -4.04      -0.02     2.28     16
   5       N    -1.10   -12.87     5.33     -10.62      -0.06   -12.92     16
   6       S     2.70    27.75     5.74    -107.50      -0.62    27.13     16
   7       O    -0.95   -10.70    17.28     -57.17      -0.99   -11.69     16
   8       O    -0.94   -12.35    16.76     -57.17      -0.96   -13.31     16
   9       C    -0.67    -5.47     5.95     -39.58      -0.24    -5.71     16
  10       C     0.04     0.31     9.52     -39.59      -0.38    -0.07     16
  11       C    -0.13    -1.10     8.62     -39.59      -0.34    -1.44     16
  12       C     0.41     4.26     4.82     -39.58      -0.19     4.07     16
  13       F    -0.01    -0.10    16.66       2.25       0.04    -0.07     16
  14       F    -0.22    -3.50    15.31       2.25       0.03    -3.46     16
  15       F    -0.24    -3.73    15.31       2.25       0.03    -3.70     16
  16       F    -0.19    -2.80    15.31       2.25       0.03    -2.77     16
  17       F    -0.11    -1.69    15.31       2.25       0.03    -1.66     16
  18       C    -0.13    -1.01     8.62     -39.58      -0.34    -1.36     16
  19       C     0.03     0.21     9.52     -39.59      -0.38    -0.17     16
  20       C     0.51    14.71     6.72      36.00       0.24    14.95     16
  21       O    -0.69   -22.57    17.67     -20.23      -0.36   -22.93     16
  22       O    -0.69   -21.93    16.88     -20.22      -0.34   -22.28     16
  23       H     0.06     1.18     8.09     -51.93      -0.42     0.76     16
  24       H     0.05     0.95     8.14     -51.93      -0.42     0.53     16
  25       H     0.04     0.60     7.20     -51.93      -0.37     0.22     16
  26       H     0.04     0.52     6.60     -51.93      -0.34     0.18     16
  27       H     0.05     0.86     8.14     -51.93      -0.42     0.44     16
  28       H     0.06     1.19     8.09     -51.93      -0.42     0.77     16
  29       H     0.09     1.50     7.71     -51.93      -0.40     1.10     16
  30       H     0.07     1.09     8.10     -51.93      -0.42     0.67     16
  31       H     0.42     4.21     6.47     -34.47      -0.22     3.98     16
  32       H     0.20     1.26     7.62     -52.48      -0.40     0.86     16
  33       H     0.19     1.41     7.40     -52.48      -0.39     1.02     16
  34       H     0.19     1.16     7.40     -52.49      -0.39     0.77     16
  35       H     0.19     0.65     7.62     -52.48      -0.40     0.25     16
 Total:         -1.00   -41.01   331.44                 -4.31   -45.32