REAL300017048852.mol2 39                                                        
   1       C    -0.15    -2.01     9.67      37.16       0.36    -1.65     16
   2       C    -0.12    -2.05     4.72     -26.73      -0.13    -2.17     16
   3       C    -0.08    -1.26     2.40     -90.62      -0.22    -1.48     16
   4       H     0.06     0.79     8.14     -51.93      -0.42     0.37     16
   5       C    -0.14    -2.33     8.52      37.16       0.32    -2.01     16
   6       C     0.08     1.50     2.51     -69.08      -0.17     1.33     16
   7       H     0.07     1.22     7.21     -51.93      -0.37     0.84     16
   8       N    -1.07   -17.24     4.95      -5.88      -0.03   -17.27     16
   9       S     2.69    38.79     5.65    -107.50      -0.61    38.18     16
  10       O    -0.95   -14.16    17.28     -57.17      -0.99   -15.15     16
  11       O    -0.92   -17.37    17.05     -57.17      -0.97   -18.35     16
  12       C    -0.67    -6.53     5.82     -39.59      -0.23    -6.76     16
  13       C     0.04     0.35     8.88     -39.59      -0.35     0.00     16
  14       C    -0.13    -1.12     8.62     -39.58      -0.34    -1.46     16
  15       C     0.41     4.24     4.82     -39.58      -0.19     4.05     16
  16       F    -0.14    -2.59    16.65       2.25       0.04    -2.55     16
  17       F    -0.17    -2.59    15.30       2.25       0.03    -2.55     16
  18       F    -0.17    -2.61    15.32       2.25       0.03    -2.57     16
  19       F    -0.17    -2.60    15.31       2.25       0.03    -2.57     16
  20       F    -0.16    -2.55    15.31       2.25       0.03    -2.52     16
  21       C    -0.13    -1.00     8.62     -39.58      -0.34    -1.34     16
  22       C     0.04     0.27     9.52     -39.59      -0.38    -0.11     16
  23       C     0.50    13.58     5.89      36.00       0.21    13.79     16
  24       O    -0.69   -20.96    15.69     -20.22      -0.32   -21.28     16
  25       O    -0.68   -20.94    17.36     -20.23      -0.35   -21.29     16
  26       H     0.04     0.53     8.14     -51.93      -0.42     0.11     16
  27       H     0.05     0.63     8.14     -51.93      -0.42     0.21     16
  28       H     0.05     0.68     6.56     -51.93      -0.34     0.34     16
  29       H     0.09     1.99     6.22     -51.93      -0.32     1.67     16
  30       H     0.06     0.94     8.14     -51.93      -0.42     0.52     16
  31       H     0.07     1.35     7.22     -51.93      -0.37     0.98     16
  32       H     0.05     0.69     6.51     -51.93      -0.34     0.35     16
  33       H     0.05     0.70     6.56     -51.93      -0.34     0.36     16
  34       H     0.42     6.00     7.03     -34.47      -0.24     5.76     16
  35       H     0.20     1.61     7.62     -52.48      -0.40     1.21     16
  36       H     0.19     1.40     7.40     -52.48      -0.39     1.02     16
  37       H     0.19     1.11     7.40     -52.49      -0.39     0.72     16
  38       H     0.19     0.82     7.62     -52.49      -0.40     0.42     16
 Total:         -1.00   -40.71   345.78                 -4.94   -45.66