REAL300008143600.mol2 39                                                        
   1       C    -0.15    -1.52     9.91      37.16       0.37    -1.15     16
   2       C    -0.13    -1.51     4.37     -26.73      -0.12    -1.63     16
   3       C    -0.14    -1.65     4.88     -26.73      -0.13    -1.79     16
   4       C     0.18     2.63     1.83     -67.93      -0.12     2.51     16
   5       H     0.08     1.24     6.43     -51.92      -0.33     0.91     16
   6       C    -0.20    -3.77     5.43     -27.88      -0.15    -3.92     16
   7       C     0.49    12.83     7.87      36.01       0.28    13.11     16
   8       O    -0.70   -17.00    12.16     -20.22      -0.25   -17.25     16
   9       O    -0.70   -22.15    18.00     -20.24      -0.36   -22.51     16
  10       N    -1.08   -15.07     4.38      -4.89      -0.02   -15.09     16
  11       S     2.70    36.64     5.55    -107.50      -0.60    36.05     16
  12       O    -0.96   -14.54    17.21     -57.17      -0.98   -15.52     16
  13       O    -0.95   -12.84    13.29     -57.17      -0.76   -13.60     16
  14       C    -0.62    -8.84     3.68     -39.59      -0.15    -8.98     16
  15       C     0.05     0.63     7.95     -39.59      -0.31     0.31     16
  16       C    -0.13    -1.88     8.62     -39.59      -0.34    -2.22     16
  17       C     0.43     7.40     4.82     -39.59      -0.19     7.21     16
  18       F    -0.04    -0.79    16.66       2.25       0.04    -0.76     16
  19       F    -0.10    -2.27    15.31       2.25       0.03    -2.23     16
  20       F    -0.21    -4.29    15.31       2.25       0.03    -4.25     16
  21       F    -0.26    -5.45    15.31       2.25       0.03    -5.42     16
  22       F    -0.20    -4.36    15.32       2.25       0.03    -4.32     16
  23       C    -0.12    -1.88     8.62     -39.58      -0.34    -2.22     16
  24       C     0.06     0.87     8.56     -39.58      -0.34     0.54     16
  25       H     0.05     0.49     8.14     -51.93      -0.42     0.07     16
  26       H     0.05     0.46     8.14     -51.93      -0.42     0.04     16
  27       H     0.05     0.47     8.14     -51.93      -0.42     0.04     16
  28       H     0.07     0.91     6.04     -51.93      -0.31     0.59     16
  29       H     0.07     0.82     7.71     -51.93      -0.40     0.41     16
  30       H     0.07     0.81     8.14     -51.93      -0.42     0.39     16
  31       H     0.06     0.74     8.14     -51.93      -0.42     0.32     16
  32       H     0.07     1.29     8.14     -51.93      -0.42     0.87     16
  33       H     0.06     1.18     8.14     -51.93      -0.42     0.76     16
  34       H     0.42     5.25     8.91     -34.47      -0.31     4.95     16
  35       H     0.18     1.74     7.48     -52.49      -0.39     1.35     16
  36       H     0.18     2.30     7.40     -52.49      -0.39     1.92     16
  37       H     0.18     2.43     7.40     -52.48      -0.39     2.04     16
  38       H     0.18     2.09     7.55     -52.48      -0.40     1.69     16
 Total:         -1.00   -36.58   340.97                 -5.08   -41.66