REAL300005729671.mol2 40                                                        
   1       O    -0.69   -22.97    18.00     -20.23      -0.36   -23.34     16
   2       C     0.50    14.92     6.85      36.01       0.25    15.16     16
   3       O    -0.69   -22.39    17.44     -20.23      -0.35   -22.75     16
   4       C    -0.19    -3.93     2.27     -92.21      -0.21    -4.14     16
   5       C    -0.10    -1.73     4.68     -26.77      -0.13    -1.86     16
   6       C    -0.47    -6.12     6.53      37.34       0.24    -5.87     16
   7       S     2.28    36.08     3.79    -107.50      -0.41    35.67     16
   8       O    -0.93   -18.97    17.26     -52.08      -0.90   -19.86     16
   9       N    -1.12   -17.34     6.95      30.50       0.21   -17.13     16
  10       C     0.53     8.77     6.74     -12.03      -0.08     8.68     16
  11       O    -0.57   -10.81    14.75     -23.07      -0.34   -11.15     16
  12       C     0.14     1.95     3.04     -29.03      -0.09     1.86     16
  13       O    -0.53    -7.01    12.79     -55.09      -0.70    -7.71     16
  14       C    -0.05    -0.60     4.89    -104.62      -0.51    -1.12     16
  15       C    -0.12    -1.09     9.33     -39.58      -0.37    -1.45     16
  16       C    -0.08    -0.64    10.05     -39.58      -0.40    -1.04     16
  17       C    -0.12    -0.88    10.05     -39.58      -0.40    -1.28     16
  18       C    -0.07    -0.64     9.43     -39.58      -0.37    -1.02     16
  19       C    -0.16    -1.72     5.37    -104.62      -0.56    -2.28     16
  20       C     0.50     5.87     2.80      36.00       0.10     5.97     16
  21       F    -0.18    -2.00    15.98       2.25       0.04    -1.96     16
  22       F    -0.14    -1.79    13.37       2.25       0.03    -1.76     16
  23       F    -0.18    -2.21    15.18       2.25       0.03    -2.18     16
  24       C    -0.55    -8.38     6.07      37.35       0.23    -8.16     16
  25       C    -0.10    -1.78     5.09     -26.76      -0.14    -1.92     16
  26       H     0.08     1.52     8.01     -51.93      -0.42     1.10     16
  27       H     0.09     1.57     8.00     -51.93      -0.42     1.15     16
  28       H     0.10     1.80     8.05     -51.93      -0.42     1.38     16
  29       H     0.15     1.53     8.14     -51.93      -0.42     1.11     16
  30       H     0.15     1.53     8.14     -51.93      -0.42     1.10     16
  31       H     0.14     1.98     5.20     -51.92      -0.27     1.71     16
  32       H     0.38     3.87     7.17      45.56       0.33     4.20     16
  33       H     0.13     1.00     6.63     -52.49      -0.35     0.65     16
  34       H     0.13     0.67     8.06     -52.49      -0.42     0.24     16
  35       H     0.14     0.64     8.06     -52.49      -0.42     0.22     16
  36       H     0.14     1.00     7.16     -52.49      -0.38     0.62     16
  37       H     0.14     1.70     8.14     -51.93      -0.42     1.28     16
  38       H     0.14     2.08     7.66     -51.93      -0.40     1.68     16
  39       H     0.08     1.50     7.99     -51.93      -0.42     1.08     16
  40       H     0.09     1.79     8.05     -51.93      -0.42     1.37     16
 Total:         -1.00   -41.25   343.16                 -5.28   -46.54