REAL300010936284.mol2 36                                                        
   1       C    -0.18    -3.34     7.62      37.15       0.28    -3.06     16
   2       C     0.19     3.41     0.89    -131.82      -0.12     3.29     16
   3       C    -0.18    -3.04     6.94      37.16       0.26    -2.78     16
   4       C    -0.18    -3.96     4.96     -27.88      -0.14    -4.10     16
   5       C     0.50    14.42     7.25      36.01       0.26    14.68     16
   6       O    -0.68   -20.08    12.43     -20.22      -0.25   -20.33     16
   7       O    -0.70   -23.30    18.00     -20.22      -0.36   -23.66     16
   8       N    -1.10   -14.79     5.54       0.53       0.00   -14.78     16
   9       S     2.69    32.60     5.57    -107.50      -0.60    32.01     16
  10       O    -0.95   -13.19    17.78     -57.17      -1.02   -14.21     16
  11       O    -0.93   -12.50    13.70     -57.17      -0.78   -13.29     16
  12       C    -0.63    -6.20     3.92     -39.59      -0.16    -6.36     16
  13       C     0.00    -0.01     7.23     -39.59      -0.29    -0.29     16
  14       C    -0.08    -0.43    10.05     -39.58      -0.40    -0.83     16
  15       C    -0.06    -0.46     8.62     -39.59      -0.34    -0.80     16
  16       C     0.34     3.83     4.82     -39.58      -0.19     3.64     16
  17       F    -0.01    -0.12    16.66       2.25       0.04    -0.09     16
  18       F    -0.24    -3.76    15.31       2.25       0.03    -3.72     16
  19       F    -0.22    -3.75    15.31       2.25       0.03    -3.71     16
  20       F    -0.18    -2.84    15.32       2.25       0.03    -2.80     16
  21       F    -0.12    -1.89    15.31       2.25       0.03    -1.86     16
  22       C    -0.01    -0.13     8.13     -39.58      -0.32    -0.45     16
  23       H     0.07     1.15     5.68     -51.93      -0.29     0.86     16
  24       H     0.04     0.79     8.14     -51.93      -0.42     0.37     16
  25       H     0.11     2.45     5.36     -51.92      -0.28     2.17     16
  26       H     0.12     2.51     5.36     -51.93      -0.28     2.24     16
  27       H     0.04     0.64     7.65     -51.93      -0.40     0.24     16
  28       H     0.04     0.58     5.01     -51.93      -0.26     0.32     16
  29       H     0.07     1.39     8.14     -51.93      -0.42     0.97     16
  30       H     0.07     1.34     8.14     -51.93      -0.42     0.91     16
  31       H     0.42     4.84     8.60     -34.47      -0.30     4.54     16
  32       H     0.19     1.01     7.26     -52.49      -0.38     0.63     16
  33       H     0.18     0.18     8.06     -52.48      -0.42    -0.25     16
  34       H     0.18     1.12     7.40     -52.49      -0.39     0.73     16
  35       H     0.18     1.90     7.36     -52.49      -0.39     1.51     16
 Total:         -1.00   -39.62   313.51                 -3.91   -43.53