REAL300007891329.mol2 34                                                        
   1       O    -0.68   -18.79    14.98     -20.23      -0.30   -19.09     16
   2       C     0.49    12.49     5.23      36.00       0.19    12.68     16
   3       O    -0.69   -19.96    18.00     -20.23      -0.36   -20.32     16
   4       C    -0.18    -3.52     5.23     -27.89      -0.15    -3.66     16
   5       C     0.13     2.13     1.95    -131.81      -0.26     1.88     16
   6       N    -1.04   -17.53     3.92       0.54       0.00   -17.52     16
   7       S     2.71    44.26     5.73    -107.50      -0.62    43.65     16
   8       O    -0.95   -17.52    17.46     -57.17      -1.00   -18.52     16
   9       O    -0.95   -14.75    16.40     -57.17      -0.94   -15.69     16
  10       C    -0.62   -10.41     3.58     -39.58      -0.14   -10.56     16
  11       C    -0.01    -0.08     7.15     -39.58      -0.28    -0.37     16
  12       C    -0.08    -0.94    10.05     -39.58      -0.40    -1.34     16
  13       C    -0.04    -0.69     8.62     -39.58      -0.34    -1.03     16
  14       C     0.36     7.20     4.82     -39.58      -0.19     7.01     16
  15       F    -0.17    -4.33    16.66       2.25       0.04    -4.29     16
  16       F    -0.21    -4.71    15.31       2.25       0.03    -4.67     16
  17       F    -0.10    -2.55    15.31       2.25       0.03    -2.52     16
  18       F    -0.14    -3.47    15.32       2.25       0.03    -3.43     16
  19       F    -0.19    -4.37    15.31       2.25       0.03    -4.34     16
  20       C     0.02     0.41     7.04     -39.58      -0.28     0.13     16
  21       C    -0.16    -2.19    10.10     -26.72      -0.27    -2.46     16
  22       C    -0.18    -2.35     9.69     -26.73      -0.26    -2.61     16
  23       H     0.08     1.42     7.92     -51.93      -0.41     1.01     16
  24       H     0.06     1.04     5.71     -51.93      -0.30     0.75     16
  25       H     0.43     6.98     8.77     -34.47      -0.30     6.68     16
  26       H     0.18     1.69     7.31     -52.48      -0.38     1.31     16
  27       H     0.18     1.16     8.06     -52.49      -0.42     0.73     16
  28       H     0.18     2.36     7.40     -52.49      -0.39     1.98     16
  29       H     0.18     3.65     7.11     -52.48      -0.37     3.28     16
  30       H     0.10     1.21     8.14     -51.93      -0.42     0.79     16
  31       H     0.10     1.29     8.06     -51.93      -0.42     0.87     16
  32       H     0.10     1.12     8.14     -51.93      -0.42     0.70     16
  33       H     0.10     1.24     8.14     -51.93      -0.42     0.82     16
 Total:         -1.00   -38.49   312.59                 -4.97   -43.46