REAL300008297973.mol2 37                                                        
   1       O    -0.68   -18.56    15.67     -20.23      -0.32   -18.88     16
   2       C     0.49    12.70     6.53      36.00       0.24    12.94     16
   3       O    -0.69   -20.96    18.00     -20.22      -0.36   -21.33     16
   4       C    -0.21    -4.15     4.62     -27.88      -0.13    -4.28     16
   5       C     0.18     2.86     0.51    -131.01      -0.07     2.79     16
   6       N    -1.05   -16.45     4.13       1.19       0.00   -16.45     16
   7       S     2.70    39.79     5.71    -107.50      -0.61    39.17     16
   8       O    -0.96   -15.38    17.49     -57.17      -1.00   -16.38     16
   9       O    -0.95   -13.83    14.24     -57.17      -0.81   -14.64     16
  10       C    -0.67   -10.11     3.92     -39.58      -0.16   -10.27     16
  11       C     0.03     0.45     6.86     -39.58      -0.27     0.18     16
  12       C    -0.13    -1.95     8.62     -39.58      -0.34    -2.29     16
  13       C     0.44     7.82     4.82     -39.58      -0.19     7.62     16
  14       F    -0.03    -0.76    16.66       2.25       0.04    -0.72     16
  15       F    -0.17    -3.92    15.31       2.25       0.03    -3.89     16
  16       F    -0.27    -5.63    15.32       2.25       0.03    -5.59     16
  17       F    -0.21    -4.43    15.32       2.25       0.03    -4.39     16
  18       F    -0.11    -2.30    15.31       2.25       0.03    -2.26     16
  19       C    -0.12    -1.97     8.62     -39.58      -0.34    -2.31     16
  20       C     0.06     0.91     9.17     -39.58      -0.36     0.55     16
  21       C    -0.12    -1.71     7.17     -25.92      -0.19    -1.89     16
  22       C    -0.14    -1.70     7.99     -25.92      -0.21    -1.91     16
  23       C    -0.17    -2.23     7.09     -25.92      -0.18    -2.41     16
  24       H     0.08     1.46     7.97     -51.93      -0.41     1.04     16
  25       H     0.06     0.99     4.39     -51.93      -0.23     0.76     16
  26       H     0.43     6.38     8.65     -34.47      -0.30     6.08     16
  27       H     0.19     1.88     7.34     -52.49      -0.39     1.49     16
  28       H     0.18     2.30     7.40     -52.49      -0.39     1.91     16
  29       H     0.18     2.75     7.40     -52.49      -0.39     2.36     16
  30       H     0.18     2.43     7.80     -52.48      -0.41     2.02     16
  31       H     0.08     1.19     8.10     -51.93      -0.42     0.77     16
  32       H     0.09     1.26     7.98     -51.93      -0.41     0.84     16
  33       H     0.08     0.88     8.14     -51.93      -0.42     0.46     16
  34       H     0.06     0.67     8.14     -51.93      -0.42     0.24     16
  35       H     0.09     1.05     8.10     -51.93      -0.42     0.63     16
  36       H     0.10     1.31     5.61     -51.93      -0.29     1.01     16
 Total:         -1.00   -36.97   326.09                 -5.12   -42.09