REAL300007608268.mol2 39                                                        
   1       C    -0.20    -1.96     6.66      37.16       0.25    -1.71     16
   2       C     0.17     2.01     0.91    -131.81      -0.12     1.89     16
   3       C    -0.18    -2.13     8.05      37.16       0.30    -1.83     16
   4       C    -0.09    -1.51     3.68     -26.73      -0.10    -1.61     16
   5       C    -0.19    -4.04     5.12     -27.88      -0.14    -4.18     16
   6       C     0.49    15.23     8.05      36.01       0.29    15.52     16
   7       O    -0.70   -23.51    16.88     -20.23      -0.34   -23.85     16
   8       O    -0.70   -24.83    18.00     -20.23      -0.36   -25.19     16
   9       N    -1.10    -9.88     5.53       0.54       0.00    -9.88     16
  10       S     2.70    21.70     5.36    -107.50      -0.58    21.12     16
  11       O    -0.94    -9.16    14.23     -57.17      -0.81    -9.98     16
  12       O    -0.95    -9.48    17.58     -57.17      -1.01   -10.49     16
  13       C    -0.67    -3.98     4.16     -39.58      -0.16    -4.14     16
  14       C     0.03     0.16     9.53     -39.59      -0.38    -0.21     16
  15       C    -0.12    -0.75     8.62     -39.59      -0.34    -1.09     16
  16       C     0.37     3.12     4.82     -39.58      -0.19     2.93     16
  17       F    -0.10    -1.65    16.66       2.25       0.04    -1.61     16
  18       F    -0.25    -3.84    15.31       2.25       0.03    -3.80     16
  19       F    -0.15    -1.95    15.31       2.25       0.03    -1.92     16
  20       F    -0.08    -1.05    15.31       2.25       0.03    -1.02     16
  21       F    -0.15    -2.24    15.31       2.25       0.03    -2.20     16
  22       C    -0.13    -0.78     8.62     -39.58      -0.34    -1.12     16
  23       C     0.03     0.17     6.84     -39.58      -0.27    -0.10     16
  24       H     0.06     0.39     3.88     -51.93      -0.20     0.19     16
  25       H     0.07     0.60     7.55     -51.93      -0.39     0.21     16
  26       H     0.10     1.10     5.96     -51.93      -0.31     0.79     16
  27       H     0.08     0.99     5.96     -51.93      -0.31     0.68     16
  28       H     0.06     0.76     8.14     -51.93      -0.42     0.34     16
  29       H     0.08     0.83     5.98     -51.93      -0.31     0.52     16
  30       H     0.07     1.25     8.10     -51.93      -0.42     0.83     16
  31       H     0.07     1.32     8.10     -51.93      -0.42     0.90     16
  32       H     0.06     1.32     6.22     -51.93      -0.32     1.00     16
  33       H     0.06     1.25     6.22     -51.93      -0.32     0.93     16
  34       H     0.42     3.33     8.62     -34.47      -0.30     3.03     16
  35       H     0.19     0.39     7.87     -52.49      -0.41    -0.02     16
  36       H     0.19     0.88     7.40     -52.49      -0.39     0.49     16
  37       H     0.19     0.94     7.40     -52.48      -0.39     0.55     16
  38       H     0.20     0.59     6.59     -52.49      -0.35     0.24     16
 Total:         -1.00   -44.43   334.53                 -4.36   -48.78