REAL300007674044.mol2 35                                                        
   1       O    -0.68   -20.33    17.20     -20.23      -0.35   -20.68     16
   2       C     0.49    13.18     5.90      36.00       0.21    13.39     16
   3       O    -0.64   -19.39    14.80     -27.76      -0.41   -19.80     16
   4       C     0.07     1.39     1.09    -131.41      -0.14     1.25     16
   5       N    -1.07   -18.36     5.24       0.87       0.00   -18.36     16
   6       S     2.68    44.80     5.58    -107.50      -0.60    44.20     16
   7       O    -0.95   -16.76    17.52     -57.17      -1.00   -17.76     16
   8       O    -0.88   -18.38    13.45     -66.87      -0.90   -19.28     16
   9       C    -0.63    -7.64     3.60     -39.58      -0.14    -7.78     16
  10       C     0.00    -0.03     7.41     -39.58      -0.29    -0.32     16
  11       C    -0.08    -0.48    10.05     -39.58      -0.40    -0.88     16
  12       C    -0.07    -0.52     8.62     -39.59      -0.34    -0.86     16
  13       C     0.35     4.18     4.82     -39.58      -0.19     3.99     16
  14       F    -0.14    -2.77    16.66       2.25       0.04    -2.73     16
  15       F    -0.18    -2.93    15.31       2.25       0.03    -2.90     16
  16       F    -0.16    -2.79    15.31       2.25       0.03    -2.76     16
  17       F    -0.18    -2.91    15.32       2.25       0.03    -2.87     16
  18       F    -0.16    -2.81    15.31       2.25       0.03    -2.77     16
  19       C    -0.02    -0.21     8.04     -39.58      -0.32    -0.53     16
  20       C    -0.18    -2.78     4.86     -25.16      -0.12    -2.90     16
  21       C     0.05     0.81     7.63      37.93       0.29     1.10     16
  22       O    -0.38    -6.42    11.65     -35.23      -0.41    -6.83     16
  23       C     0.07     1.20     6.84      37.93       0.26     1.46     16
  24       H     0.41     5.99     8.41     -34.46      -0.29     5.70     16
  25       H     0.19     1.79     7.46     -52.48      -0.39     1.40     16
  26       H     0.19     0.30     8.06     -52.49      -0.42    -0.12     16
  27       H     0.19     1.10     7.40     -52.49      -0.39     0.71     16
  28       H     0.19     2.27     7.17     -52.49      -0.38     1.90     16
  29       H     0.06     0.82     3.93     -51.93      -0.20     0.61     16
  30       H     0.10     1.66     7.30     -51.93      -0.38     1.28     16
  31       H     0.08     1.04     8.14     -51.93      -0.42     0.61     16
  32       H     0.07     0.99     8.14     -51.92      -0.42     0.56     16
  33       H     0.08     1.54     7.82     -51.93      -0.41     1.14     16
  34       H     0.09     1.46     7.75     -51.93      -0.40     1.05     16
 Total:         -1.00   -40.97   313.79                 -4.05   -45.03