REAL300007653633.mol2 34                                                        
   1       O    -0.69   -21.12    17.06     -20.22      -0.34   -21.47     16
   2       C     0.49    13.77     6.43      36.00       0.23    14.00     16
   3       O    -0.65   -20.62    15.21     -27.60      -0.42   -21.04     16
   4       C     0.07     1.42     1.28    -132.16      -0.17     1.25     16
   5       N    -1.06   -18.61     5.38       0.26       0.00   -18.61     16
   6       S     2.68    47.07     5.72    -107.50      -0.61    46.46     16
   7       O    -0.96   -17.38    17.28     -57.17      -0.99   -18.37     16
   8       O    -0.88   -19.57    13.75     -66.69      -0.92   -20.49     16
   9       C    -0.63    -8.41     4.38     -39.58      -0.17    -8.59     16
  10       C     0.01     0.06     7.24     -39.58      -0.29    -0.22     16
  11       C    -0.09    -0.64    10.05     -39.58      -0.40    -1.04     16
  12       C    -0.06    -0.56     8.62     -39.58      -0.34    -0.90     16
  13       C     0.34     4.27     4.82     -39.58      -0.19     4.08     16
  14       F    -0.02    -0.32    16.66       2.25       0.04    -0.28     16
  15       F    -0.25    -4.10    15.32       2.25       0.03    -4.07     16
  16       F    -0.22    -3.75    15.30       2.25       0.03    -3.71     16
  17       F    -0.13    -1.98    15.31       2.25       0.03    -1.94     16
  18       F    -0.17    -3.05    15.32       2.25       0.03    -3.02     16
  19       C    -0.02    -0.20     8.10     -39.58      -0.32    -0.52     16
  20       C    -0.15    -2.40     6.77     -25.92      -0.18    -2.58     16
  21       C    -0.14    -1.97     7.99     -25.93      -0.21    -2.18     16
  22       C    -0.11    -1.92     7.34     -25.92      -0.19    -2.11     16
  23       H     0.41     5.99     8.76     -34.47      -0.30     5.68     16
  24       H     0.19     2.26     7.62     -52.49      -0.40     1.86     16
  25       H     0.19     0.62     8.06     -52.49      -0.42     0.20     16
  26       H     0.18     1.24     7.40     -52.49      -0.39     0.85     16
  27       H     0.19     2.41     6.96     -52.49      -0.37     2.05     16
  28       H     0.05     0.70     4.11     -51.93      -0.21     0.49     16
  29       H     0.11     1.90     7.44     -51.93      -0.39     1.52     16
  30       H     0.07     0.94     8.14     -51.93      -0.42     0.52     16
  31       H     0.07     0.83     8.14     -51.93      -0.42     0.41     16
  32       H     0.10     1.74     8.09     -51.93      -0.42     1.32     16
  33       H     0.07     1.00     8.09     -51.93      -0.42     0.58     16
 Total:         -1.00   -40.37   308.14                 -4.85   -45.22