REAL300017619608.mol2 37                                                        
   1       O    -0.70   -17.02    11.86     -20.23      -0.24   -17.26     16
   2       C     0.50    12.91     7.92      36.01       0.29    13.20     16
   3       O    -0.70   -22.23    18.00     -20.22      -0.36   -22.60     16
   4       C    -0.19    -3.76     5.43     -27.88      -0.15    -3.91     16
   5       C     0.21     3.22     1.91     -67.94      -0.13     3.09     16
   6       H     0.08     1.27     7.05     -51.93      -0.37     0.91     16
   7       N    -1.08   -15.34     4.56      -4.90      -0.02   -15.36     16
   8       S     2.71    36.99     5.61    -107.50      -0.60    36.39     16
   9       O    -0.96   -14.51    17.28     -57.17      -0.99   -15.49     16
  10       O    -0.95   -13.02    13.81     -57.17      -0.79   -13.81     16
  11       C    -0.62    -8.82     3.76     -39.58      -0.15    -8.97     16
  12       C     0.04     0.57     8.42     -39.58      -0.33     0.24     16
  13       C    -0.13    -1.87     8.62     -39.58      -0.34    -2.21     16
  14       C     0.42     7.27     4.82     -39.58      -0.19     7.08     16
  15       F    -0.04    -0.92    16.66       2.25       0.04    -0.88     16
  16       F    -0.16    -3.64    15.31       2.25       0.03    -3.61     16
  17       F    -0.14    -2.68    15.32       2.25       0.03    -2.64     16
  18       F    -0.25    -5.11    15.31       2.25       0.03    -5.08     16
  19       F    -0.21    -4.69    15.31       2.25       0.03    -4.65     16
  20       C    -0.12    -1.89     8.62     -39.58      -0.34    -2.23     16
  21       C     0.06     0.93     8.38     -39.58      -0.33     0.59     16
  22       C    -0.17    -2.21     5.30     -90.62      -0.48    -2.69     16
  23       C    -0.18    -2.04    10.18     -26.73      -0.27    -2.31     16
  24       C    -0.19    -2.35    10.09     -26.73      -0.27    -2.62     16
  25       H     0.07     1.21     8.14     -51.93      -0.42     0.78     16
  26       H     0.07     1.37     8.14     -51.92      -0.42     0.94     16
  27       H     0.42     5.37     8.91     -34.46      -0.31     5.06     16
  28       H     0.18     1.74     7.62     -52.48      -0.40     1.34     16
  29       H     0.18     2.21     7.40     -52.48      -0.39     1.82     16
  30       H     0.18     2.50     7.40     -52.48      -0.39     2.11     16
  31       H     0.18     2.08     7.62     -52.49      -0.40     1.68     16
  32       H     0.10     1.26     8.14     -51.93      -0.42     0.83     16
  33       H     0.09     0.91     8.14     -51.93      -0.42     0.49     16
  34       H     0.09     1.06     8.09     -51.93      -0.42     0.64     16
  35       H     0.13     1.72     4.80     -51.93      -0.25     1.47     16
  36       H     0.09     0.92     8.14     -51.93      -0.42     0.50     16
 Total:         -1.00   -36.58   332.06                 -5.57   -42.14