REAL300017817387.mol2 39                                                        
   1       C    -0.15    -1.80     9.91      37.16       0.37    -1.43     16
   2       C    -0.13    -1.84     5.82     -26.73      -0.16    -2.00     16
   3       C    -0.11    -1.85     4.63     -26.73      -0.12    -1.97     16
   4       C     0.07     1.42     2.51     -69.08      -0.17     1.25     16
   5       C     0.49    13.02     7.19      36.00       0.26    13.27     16
   6       O    -0.68   -19.26    14.99     -20.22      -0.30   -19.57     16
   7       O    -0.69   -21.27    18.00     -20.23      -0.36   -21.63     16
   8       N    -0.95   -15.83     2.37    -115.85      -0.27   -16.11     16
   9       C     0.09     1.44     8.81      59.85       0.53     1.97     16
  10       S     2.68    38.03     5.64    -107.50      -0.61    37.43     16
  11       O    -0.95   -13.63    16.35     -57.17      -0.94   -14.57     16
  12       O    -0.94   -14.51    15.85     -57.17      -0.91   -15.42     16
  13       C    -0.67    -8.15     5.97     -39.59      -0.24    -8.39     16
  14       C     0.04     0.50     9.52     -39.59      -0.38     0.13     16
  15       C    -0.13    -1.51     8.62     -39.58      -0.34    -1.85     16
  16       C     0.42     5.59     4.82     -39.58      -0.19     5.40     16
  17       F    -0.14    -2.94    16.67       2.25       0.04    -2.90     16
  18       F    -0.16    -2.94    15.31       2.25       0.03    -2.91     16
  19       F    -0.18    -3.16    15.31       2.25       0.03    -3.13     16
  20       F    -0.18    -3.12    15.32       2.25       0.03    -3.08     16
  21       F    -0.15    -2.91    15.30       2.25       0.03    -2.87     16
  22       C    -0.13    -1.40     8.62     -39.58      -0.34    -1.74     16
  23       C     0.04     0.38     9.52     -39.58      -0.38     0.01     16
  24       H     0.05     0.53     8.14     -51.93      -0.42     0.10     16
  25       H     0.05     0.60     8.14     -51.93      -0.42     0.17     16
  26       H     0.05     0.64     8.14     -51.93      -0.42     0.21     16
  27       H     0.05     0.74     7.75     -51.93      -0.40     0.34     16
  28       H     0.07     0.96     8.14     -51.93      -0.42     0.54     16
  29       H     0.08     1.46     8.14     -51.93      -0.42     1.04     16
  30       H     0.06     1.10     7.51     -51.93      -0.39     0.72     16
  31       H     0.09     1.79     6.91     -51.93      -0.36     1.43     16
  32       H     0.05     0.62     8.14     -51.93      -0.42     0.20     16
  33       H     0.06     0.73     7.79     -51.93      -0.40     0.32     16
  34       H     0.11     1.95     5.94     -51.93      -0.31     1.64     16
  35       H     0.19     1.85     7.62     -52.48      -0.40     1.45     16
  36       H     0.19     1.94     7.40     -52.49      -0.39     1.55     16
  37       H     0.19     1.64     7.40     -52.49      -0.39     1.25     16
  38       H     0.19     1.32     7.62     -52.48      -0.40     0.93     16
 Total:         -1.00   -37.86   351.85                 -5.05   -42.91