REAL300008004642.mol2 37                                                        
   1       O    -0.70   -23.35    16.65     -20.23      -0.34   -23.69     16
   2       C     0.49    15.44     8.05      36.00       0.29    15.73     16
   3       O    -0.71   -25.32    18.00     -20.23      -0.36   -25.69     16
   4       C    -0.17    -4.01     5.62     -27.88      -0.16    -4.17     16
   5       C    -0.08    -1.39     3.15     -89.81      -0.28    -1.68     16
   6       C    -0.13    -1.91     7.42     -25.92      -0.19    -2.10     16
   7       C     0.12     1.20     4.35     -67.12      -0.29     0.91     16
   8       N    -1.09    -9.03     5.79      -4.20      -0.02    -9.06     16
   9       S     2.69    22.14     5.68    -107.50      -0.61    21.53     16
  10       O    -0.94   -10.20    17.28     -57.17      -0.99   -11.19     16
  11       O    -0.93    -9.31    17.05     -57.17      -0.97   -10.29     16
  12       C    -0.64    -4.14     5.95     -39.58      -0.24    -4.38     16
  13       C    -0.01    -0.03     9.24     -39.58      -0.37    -0.39     16
  14       C    -0.08    -0.22    10.05     -39.58      -0.40    -0.62     16
  15       C    -0.06    -0.32     8.62     -39.58      -0.34    -0.66     16
  16       C     0.34     3.11     4.82     -39.58      -0.19     2.91     16
  17       F     0.00     0.01    16.67       2.25       0.04     0.05     16
  18       F    -0.19    -2.61    15.32       2.25       0.03    -2.58     16
  19       F    -0.11    -1.64    15.30       2.25       0.03    -1.61     16
  20       F    -0.22    -3.23    15.31       2.25       0.03    -3.19     16
  21       F    -0.23    -3.49    15.32       2.25       0.03    -3.45     16
  22       C    -0.01    -0.09     8.10     -39.58      -0.32    -0.41     16
  23       C    -0.15    -1.89     7.44     -25.92      -0.19    -2.08     16
  24       H     0.06     1.24     7.84     -51.93      -0.41     0.84     16
  25       H     0.06     1.31     8.14     -51.93      -0.42     0.89     16
  26       H     0.10     1.89     7.67     -51.93      -0.40     1.49     16
  27       H     0.08     1.16     8.14     -51.93      -0.42     0.73     16
  28       H     0.08     1.20     7.90     -51.93      -0.41     0.79     16
  29       H     0.11     0.82     7.76     -51.93      -0.40     0.42     16
  30       H     0.43     2.99     8.94     -34.47      -0.31     2.68     16
  31       H     0.18     0.31     7.62     -52.49      -0.40    -0.09     16
  32       H     0.19    -0.22     8.06     -52.49      -0.42    -0.64     16
  33       H     0.19     0.79     7.40     -52.48      -0.39     0.40     16
  34       H     0.19     1.54     6.96     -52.49      -0.37     1.18     16
  35       H     0.09     1.04     8.10     -51.93      -0.42     0.62     16
  36       H     0.07     0.84     8.14     -51.93      -0.42     0.41     16
 Total:         -1.00   -45.37   343.84                 -5.81   -51.18