REAL300007650713.mol2 36                                                        
   1       C    -0.15    -1.75     9.04      37.16       0.34    -1.41     16
   2       C    -0.09    -1.38     2.60     -90.62      -0.24    -1.62     16
   3       C    -0.15    -2.52     8.69      37.16       0.32    -2.20     16
   4       C     0.08     1.60     2.26     -69.08      -0.16     1.45     16
   5       N    -1.07   -17.08     4.21      -5.88      -0.02   -17.10     16
   6       S     2.69    38.68     5.65    -107.50      -0.61    38.08     16
   7       O    -0.95   -14.09    17.28     -57.17      -0.99   -15.08     16
   8       O    -0.92   -17.41    17.05     -57.17      -0.97   -18.39     16
   9       C    -0.67    -6.49     5.82     -39.58      -0.23    -6.72     16
  10       C     0.04     0.35     8.88     -39.59      -0.35     0.00     16
  11       C    -0.13    -1.11     8.62     -39.58      -0.34    -1.45     16
  12       C     0.41     4.21     4.82     -39.58      -0.19     4.02     16
  13       F    -0.14    -2.61    16.66       2.25       0.04    -2.57     16
  14       F    -0.17    -2.59    15.31       2.25       0.03    -2.56     16
  15       F    -0.16    -2.58    15.32       2.25       0.03    -2.54     16
  16       F    -0.17    -2.60    15.32       2.25       0.03    -2.57     16
  17       F    -0.16    -2.54    15.31       2.25       0.03    -2.50     16
  18       C    -0.13    -0.99     8.62     -39.58      -0.34    -1.33     16
  19       C     0.04     0.27     9.52     -39.58      -0.38    -0.11     16
  20       C     0.49    13.68     7.15      36.00       0.26    13.93     16
  21       O    -0.69   -21.14    15.59     -20.23      -0.32   -21.46     16
  22       O    -0.68   -21.30    17.36     -20.23      -0.35   -21.65     16
  23       H     0.05     0.55     8.14     -51.93      -0.42     0.12     16
  24       H     0.05     0.59     8.14     -51.93      -0.42     0.17     16
  25       H     0.05     0.51     7.61     -51.93      -0.39     0.11     16
  26       H     0.07     1.22     8.14     -51.93      -0.42     0.80     16
  27       H     0.05     0.79     8.14     -51.93      -0.42     0.36     16
  28       H     0.09     1.93     5.88     -51.93      -0.31     1.63     16
  29       H     0.04     0.60     8.14     -51.93      -0.42     0.18     16
  30       H     0.07     1.24     7.21     -51.93      -0.37     0.86     16
  31       H     0.42     5.85     8.84     -34.47      -0.30     5.54     16
  32       H     0.20     1.61     7.62     -52.48      -0.40     1.21     16
  33       H     0.19     1.39     7.40     -52.48      -0.39     1.01     16
  34       H     0.19     1.09     7.40     -52.48      -0.39     0.71     16
  35       H     0.19     0.80     7.61     -52.49      -0.40     0.40     16
 Total:         -1.00   -41.23   331.36                 -4.47   -45.70