REAL300010821946.mol2 34                                                        
   1       C    -0.12    -2.23     8.53      37.16       0.32    -1.91     16
   2       C     0.06     1.16     0.98     -91.77      -0.09     1.07     16
   3       O    -0.55   -10.82    12.40     -55.08      -0.68   -11.51     16
   4       C     0.10     1.56     5.32      -4.04      -0.02     1.54     16
   5       N    -1.10   -12.62     5.40     -10.62      -0.06   -12.67     16
   6       S     2.69    26.90     5.74    -107.50      -0.62    26.28     16
   7       O    -0.95   -10.60    17.28     -57.17      -0.99   -11.59     16
   8       O    -0.93   -12.02    16.76     -57.17      -0.96   -12.98     16
   9       C    -0.67    -5.10     5.95     -39.58      -0.24    -5.34     16
  10       C     0.03     0.25     9.52     -39.58      -0.38    -0.13     16
  11       C    -0.13    -1.01     8.62     -39.59      -0.34    -1.35     16
  12       C     0.41     4.01     4.82     -39.58      -0.19     3.82     16
  13       F     0.00    -0.07    16.66       2.25       0.04    -0.03     16
  14       F    -0.22    -3.36    15.31       2.25       0.03    -3.33     16
  15       F    -0.24    -3.62    15.31       2.25       0.03    -3.58     16
  16       F    -0.18    -2.70    15.31       2.25       0.03    -2.67     16
  17       F    -0.11    -1.65    15.31       2.25       0.03    -1.62     16
  18       C    -0.13    -0.94     8.62     -39.58      -0.34    -1.28     16
  19       C     0.03     0.20     9.52     -39.58      -0.38    -0.17     16
  20       C     0.48    13.80     6.78      36.00       0.24    14.04     16
  21       O    -0.68   -22.01    17.26     -26.63      -0.46   -22.47     16
  22       O    -0.68   -21.56    17.58     -20.22      -0.36   -21.92     16
  23       H     0.06     1.16     8.14     -51.93      -0.42     0.74     16
  24       H     0.07     1.44     8.09     -51.93      -0.42     1.02     16
  25       H     0.05     0.74     6.89     -51.93      -0.36     0.38     16
  26       H     0.37     6.52     8.86      45.56       0.40     6.92     16
  27       H     0.10     1.66     7.58     -51.93      -0.39     1.26     16
  28       H     0.06     0.86     8.14     -51.93      -0.42     0.44     16
  29       H     0.43     4.52     7.58     -34.47      -0.26     4.26     16
  30       H     0.19     1.07     7.62     -52.49      -0.40     0.67     16
  31       H     0.19     1.26     7.40     -52.48      -0.39     0.88     16
  32       H     0.19     1.09     7.40     -52.48      -0.39     0.70     16
  33       H     0.19     0.61     7.62     -52.49      -0.40     0.21     16
 Total:         -1.00   -41.52   324.30                 -3.92   -45.44