REAL300017308402.mol2 39                                                        
   1       C    -0.15    -1.68     8.94      37.16       0.33    -1.35     16
   2       C    -0.11    -1.43     2.68     -90.62      -0.24    -1.67     16
   3       C    -0.14    -1.73     7.46      37.16       0.28    -1.45     16
   4       C     0.18     2.78     1.46     -67.93      -0.10     2.68     16
   5       H     0.08     1.25     7.19     -51.93      -0.37     0.87     16
   6       C    -0.20    -3.81     5.26     -27.89      -0.15    -3.95     16
   7       C     0.49    12.91     7.92      36.01       0.29    13.19     16
   8       O    -0.70   -17.19    12.62     -20.22      -0.26   -17.45     16
   9       O    -0.70   -22.27    18.00     -20.23      -0.36   -22.64     16
  10       N    -1.08   -15.30     3.96      -4.89      -0.02   -15.32     16
  11       S     2.70    36.90     5.34    -107.50      -0.57    36.32     16
  12       O    -0.96   -14.56    17.28     -57.17      -0.99   -15.55     16
  13       O    -0.95   -12.90    12.69     -57.17      -0.73   -13.63     16
  14       C    -0.62    -8.85     3.90     -39.58      -0.15    -9.01     16
  15       C     0.04     0.54     8.67     -39.58      -0.34     0.20     16
  16       C    -0.13    -1.88     8.62     -39.58      -0.34    -2.22     16
  17       C     0.43     7.27     4.82     -39.58      -0.19     7.08     16
  18       F    -0.03    -0.75    16.66       2.25       0.04    -0.72     16
  19       F    -0.10    -2.25    15.31       2.25       0.03    -2.21     16
  20       F    -0.21    -4.22    15.31       2.25       0.03    -4.19     16
  21       F    -0.26    -5.39    15.31       2.25       0.03    -5.35     16
  22       F    -0.20    -4.32    15.31       2.25       0.03    -4.29     16
  23       C    -0.12    -1.86     8.62     -39.58      -0.34    -2.20     16
  24       C     0.06     0.92     8.53     -39.58      -0.34     0.58     16
  25       H     0.05     0.53     8.14     -51.93      -0.42     0.11     16
  26       H     0.06     0.73     6.43     -51.93      -0.33     0.40     16
  27       H     0.06     0.62     8.14     -51.93      -0.42     0.20     16
  28       H     0.07     0.85     8.14     -51.93      -0.42     0.42     16
  29       H     0.07     0.88     7.04     -51.93      -0.37     0.51     16
  30       H     0.05     0.66     5.95     -51.93      -0.31     0.36     16
  31       H     0.04     0.48     8.14     -51.93      -0.42     0.06     16
  32       H     0.07     1.37     6.30     -51.93      -0.33     1.04     16
  33       H     0.06     1.18     8.14     -51.93      -0.42     0.76     16
  34       H     0.42     5.39     8.88     -34.47      -0.31     5.08     16
  35       H     0.18     1.74     7.62     -52.49      -0.40     1.34     16
  36       H     0.18     2.26     7.40     -52.49      -0.39     1.88     16
  37       H     0.18     2.41     7.40     -52.49      -0.39     2.02     16
  38       H     0.18     2.08     7.62     -52.49      -0.40     1.68     16
 Total:         -1.00   -36.68   337.23                 -4.68   -41.36