REAL300017615546.mol2 36                                                        
   1       C    -0.17    -1.45     8.49      37.15       0.32    -1.13     16
   2       C    -0.14    -1.51     5.60     -26.73      -0.15    -1.65     16
   3       C     0.17     2.65     1.93     -67.92      -0.13     2.52     16
   4       H     0.09     1.41     7.35     -51.93      -0.38     1.03     16
   5       C    -0.20    -4.05     5.46     -27.89      -0.15    -4.20     16
   6       C     0.48    14.05     7.92      36.00       0.28    14.34     16
   7       O    -0.66   -20.24    13.01     -27.76      -0.36   -20.60     16
   8       O    -0.71   -24.36    18.00     -20.23      -0.36   -24.72     16
   9       N    -1.08   -15.32     4.29      -4.89      -0.02   -15.34     16
  10       S     2.68    38.21     5.54    -107.50      -0.60    37.62     16
  11       O    -0.96   -14.88    17.44     -57.17      -1.00   -15.88     16
  12       O    -0.87   -16.90    13.43     -66.88      -0.90   -17.80     16
  13       C    -0.67    -6.08     3.81     -39.59      -0.15    -6.23     16
  14       C     0.04     0.30     7.66     -39.58      -0.30     0.00     16
  15       C    -0.13    -1.04     8.50     -39.59      -0.34    -1.38     16
  16       C     0.42     4.04     4.82     -39.58      -0.19     3.85     16
  17       F    -0.13    -2.52    16.66       2.25       0.04    -2.48     16
  18       F    -0.17    -2.59    15.31       2.25       0.03    -2.56     16
  19       F    -0.17    -2.58    15.31       2.25       0.03    -2.54     16
  20       F    -0.17    -2.61    15.31       2.25       0.03    -2.57     16
  21       F    -0.17    -2.55    15.31       2.25       0.03    -2.51     16
  22       C    -0.13    -0.97     8.62     -39.58      -0.34    -1.31     16
  23       C     0.03     0.22     7.90     -39.59      -0.31    -0.09     16
  24       H     0.05     0.37     4.91     -51.93      -0.26     0.12     16
  25       H     0.05     0.42     6.10     -51.93      -0.32     0.11     16
  26       H     0.06     0.48     8.14     -51.93      -0.42     0.05     16
  27       H     0.07     0.68     8.14     -51.93      -0.42     0.26     16
  28       H     0.07     0.78     8.14     -51.93      -0.42     0.36     16
  29       H     0.06     1.21     8.14     -51.93      -0.42     0.78     16
  30       H     0.07     1.33     8.14     -51.93      -0.42     0.90     16
  31       H     0.41     5.04     8.96     -34.48      -0.31     4.74     16
  32       H     0.20     1.39     7.50     -52.49      -0.39     0.99     16
  33       H     0.19     1.25     7.40     -52.48      -0.39     0.86     16
  34       H     0.19     1.07     7.40     -52.49      -0.39     0.68     16
  35       H     0.19     0.76     7.76     -52.48      -0.41     0.35     16
 Total:         -1.00   -43.97   318.41                 -4.69   -48.65