REAL300010977227.mol2 39                                                        
   1       C    -0.15    -1.44     9.91      37.16       0.37    -1.07     16
   2       C    -0.13    -1.35     5.93     -26.73      -0.16    -1.51     16
   3       C    -0.12    -1.45     5.10     -26.73      -0.14    -1.59     16
   4       C    -0.11    -1.76     4.80     -26.73      -0.13    -1.89     16
   5       C     0.08     1.58     2.64     -69.09      -0.18     1.40     16
   6       H     0.07     1.26     7.21     -51.93      -0.37     0.89     16
   7       N    -1.07   -17.30     4.43      -5.88      -0.03   -17.33     16
   8       S     2.69    39.78     5.65    -107.50      -0.61    39.17     16
   9       O    -0.96   -14.49    17.28     -57.17      -0.99   -15.48     16
  10       O    -0.92   -17.87    17.05     -57.17      -0.97   -18.85     16
  11       C    -0.67    -6.83     5.82     -39.58      -0.23    -7.06     16
  12       C     0.03     0.33     8.88     -39.58      -0.35    -0.02     16
  13       C    -0.13    -1.20     8.62     -39.58      -0.34    -1.55     16
  14       C     0.41     4.37     4.82     -39.59      -0.19     4.18     16
  15       F    -0.01    -0.23    16.66       2.25       0.04    -0.19     16
  16       F    -0.12    -1.76    15.30       2.25       0.03    -1.72     16
  17       F    -0.18    -2.89    15.32       2.25       0.03    -2.85     16
  18       F    -0.24    -3.74    15.31       2.25       0.03    -3.71     16
  19       F    -0.22    -3.40    15.31       2.25       0.03    -3.36     16
  20       C    -0.13    -1.06     8.62     -39.59      -0.34    -1.40     16
  21       C     0.03     0.25     9.52     -39.59      -0.38    -0.12     16
  22       C     0.49    14.02     7.36      36.00       0.26    14.28     16
  23       O    -0.69   -22.42    18.00     -20.23      -0.36   -22.78     16
  24       O    -0.68   -21.64    17.36     -20.23      -0.35   -21.99     16
  25       H     0.05     0.45     8.14     -51.93      -0.42     0.02     16
  26       H     0.05     0.45     8.14     -51.93      -0.42     0.03     16
  27       H     0.05     0.51     8.14     -51.93      -0.42     0.09     16
  28       H     0.06     0.65     8.14     -51.93      -0.42     0.22     16
  29       H     0.06     0.69     8.14     -51.93      -0.42     0.27     16
  30       H     0.06     0.66     8.14     -51.93      -0.42     0.23     16
  31       H     0.06     0.60     7.75     -51.93      -0.40     0.20     16
  32       H     0.07     1.09     8.14     -51.93      -0.42     0.67     16
  33       H     0.08     1.44     8.14     -51.93      -0.42     1.02     16
  34       H     0.42     5.92     8.84     -34.47      -0.30     5.61     16
  35       H     0.19     1.72     7.62     -52.49      -0.40     1.32     16
  36       H     0.19     1.54     7.40     -52.48      -0.39     1.15     16
  37       H     0.19     1.16     7.40     -52.49      -0.39     0.77     16
  38       H     0.19     0.90     7.62     -52.48      -0.40     0.50     16
 Total:         -1.00   -41.47   358.69                 -5.58   -47.05