REAL300017294773.mol2 34                                                        
   1       O    -0.68   -17.97    16.52     -20.23      -0.33   -18.31     16
   2       C     0.48    12.02     6.16      36.00       0.22    12.24     16
   3       O    -0.68   -19.33    15.01     -20.23      -0.30   -19.64     16
   4       C     0.10     1.85     3.17     -69.09      -0.22     1.63     16
   5       N    -1.07   -16.91     4.96      -5.89      -0.03   -16.94     16
   6       S     2.70    38.54     5.72    -107.50      -0.61    37.93     16
   7       O    -0.96   -14.06    17.28     -57.17      -0.99   -15.05     16
   8       O    -0.95   -14.71    16.63     -57.17      -0.95   -15.67     16
   9       C    -0.65    -9.03     5.14     -39.58      -0.20    -9.23     16
  10       C     0.04     0.56     9.52     -39.58      -0.38     0.19     16
  11       C    -0.13    -1.78     8.62     -39.59      -0.34    -2.12     16
  12       C     0.42     6.63     4.82     -39.59      -0.19     6.44     16
  13       F    -0.15    -3.39    16.66       2.25       0.04    -3.36     16
  14       F    -0.15    -3.21    15.31       2.25       0.03    -3.17     16
  15       F    -0.18    -3.50    15.31       2.25       0.03    -3.47     16
  16       F    -0.19    -3.53    15.30       2.25       0.03    -3.49     16
  17       F    -0.15    -3.10    15.32       2.25       0.03    -3.06     16
  18       C    -0.13    -1.70     8.62     -39.58      -0.34    -2.04     16
  19       C     0.06     0.70     9.52     -39.58      -0.38     0.33     16
  20       C    -0.15    -2.55     5.93     -90.62      -0.54    -3.09     16
  21       C    -0.18    -3.26     9.50     -26.73      -0.25    -3.52     16
  22       C    -0.16    -2.78     9.81     -26.73      -0.26    -3.05     16
  23       H     0.09     1.57     7.50     -51.93      -0.39     1.18     16
  24       H     0.42     5.81     8.84     -34.46      -0.30     5.51     16
  25       H     0.19     2.03     7.62     -52.48      -0.40     1.63     16
  26       H     0.19     2.28     7.40     -52.49      -0.39     1.89     16
  27       H     0.19     2.08     7.40     -52.49      -0.39     1.69     16
  28       H     0.19     1.75     7.62     -52.49      -0.40     1.35     16
  29       H     0.10     1.45     8.14     -51.93      -0.42     1.02     16
  30       H     0.08     1.21     8.14     -51.93      -0.42     0.79     16
  31       H     0.12     2.70     5.61     -51.93      -0.29     2.41     16
  32       H     0.11     2.02     7.38     -51.93      -0.38     1.64     16
  33       H     0.08     1.14     8.14     -51.93      -0.42     0.72     16
 Total:         -1.00   -36.48   318.64                 -5.34   -41.82