REAL300017614337.mol2 37                                                        
   1       O    -0.69   -21.56    15.66     -20.23      -0.32   -21.87     16
   2       C     0.50    14.68     7.85      36.01       0.28    14.97     16
   3       O    -0.70   -23.46    18.00     -20.23      -0.36   -23.82     16
   4       C    -0.21    -4.33     5.31     -27.88      -0.15    -4.48     16
   5       C     0.17     2.94     2.47     -66.95      -0.17     2.78     16
   6       H     0.09     1.76     7.96     -51.93      -0.41     1.35     16
   7       C    -0.10    -1.62     5.45     -24.90      -0.14    -1.75     16
   8       C    -0.13    -1.39     7.08     -24.58      -0.17    -1.56     16
   9       C     0.11     1.06     7.15      -2.35      -0.02     1.05     16
  10       N    -1.00   -12.80     3.41    -104.17      -0.36   -13.16     16
  11       S     2.71    32.44     5.44    -107.50      -0.58    31.86     16
  12       O    -0.93   -14.28    16.11     -57.17      -0.92   -15.20     16
  13       O    -0.94   -11.50    16.85     -57.17      -0.96   -12.46     16
  14       C    -0.68    -6.26     5.97     -39.58      -0.24    -6.49     16
  15       C     0.03     0.22     9.52     -39.59      -0.38    -0.16     16
  16       C    -0.13    -1.01     8.62     -39.59      -0.34    -1.35     16
  17       C     0.42     4.58     4.82     -39.58      -0.19     4.39     16
  18       F    -0.13    -2.59    16.66       2.25       0.04    -2.55     16
  19       F    -0.15    -2.61    15.31       2.25       0.03    -2.57     16
  20       F    -0.18    -2.83    15.32       2.25       0.03    -2.80     16
  21       F    -0.17    -2.79    15.32       2.25       0.03    -2.75     16
  22       F    -0.17    -2.77    15.31       2.25       0.03    -2.73     16
  23       C    -0.13    -1.23     8.62     -39.58      -0.34    -1.57     16
  24       C     0.04     0.43     8.77     -39.58      -0.35     0.08     16
  25       H     0.07     1.25     8.01     -51.93      -0.42     0.83     16
  26       H     0.05     1.04     5.41     -51.93      -0.28     0.76     16
  27       H     0.09     1.67     7.66     -51.93      -0.40     1.27     16
  28       H     0.07     1.14     7.76     -51.93      -0.40     0.74     16
  29       H     0.08     0.76     8.14     -51.92      -0.42     0.34     16
  30       H     0.08     0.67     8.14     -51.92      -0.42     0.25     16
  31       H     0.08     0.63     7.82     -51.93      -0.41     0.23     16
  32       H     0.07     0.50     8.14     -51.93      -0.42     0.08     16
  33       H     0.19     0.61     7.74     -52.49      -0.41     0.20     16
  34       H     0.19     1.11     7.40     -52.48      -0.39     0.72     16
  35       H     0.20     1.73     7.40     -52.49      -0.39     1.34     16
  36       H     0.20     1.86     6.58     -52.49      -0.35     1.51     16
 Total:         -1.00   -41.91   333.18                 -5.61   -47.52