REAL300017634856.mol2 39                                                        
   1       C    -0.16    -2.25     8.95      37.16       0.33    -1.92     16
   2       C    -0.11    -2.01     4.84     -26.73      -0.13    -2.14     16
   3       C     0.07     1.48     2.54     -69.09      -0.18     1.30     16
   4       C     0.49    13.19     7.22      36.00       0.26    13.45     16
   5       O    -0.68   -19.64    15.13     -20.23      -0.31   -19.95     16
   6       O    -0.69   -21.57    18.00     -20.23      -0.36   -21.93     16
   7       N    -0.95   -16.26     2.15    -108.54      -0.23   -16.49     16
   8       C     0.11     1.78     5.04      -4.04      -0.02     1.76     16
   9       C    -0.18    -2.36     8.56      37.16       0.32    -2.04     16
  10       S     2.68    40.02     5.64    -107.50      -0.61    39.41     16
  11       O    -0.95   -14.03    16.08     -57.17      -0.92   -14.95     16
  12       O    -0.94   -15.44    15.81     -57.17      -0.90   -16.34     16
  13       C    -0.67    -8.83     5.97     -39.58      -0.24    -9.07     16
  14       C     0.04     0.55     9.52     -39.59      -0.38     0.17     16
  15       C    -0.13    -1.62     8.62     -39.59      -0.34    -1.96     16
  16       C     0.41     5.82     4.82     -39.58      -0.19     5.63     16
  17       F    -0.02    -0.38    16.66       2.25       0.04    -0.34     16
  18       F    -0.18    -3.28    15.31       2.25       0.03    -3.25     16
  19       F    -0.13    -2.17    15.32       2.25       0.03    -2.14     16
  20       F    -0.24    -4.22    15.32       2.25       0.03    -4.19     16
  21       F    -0.21    -4.15    15.31       2.25       0.03    -4.11     16
  22       C    -0.13    -1.53     8.62     -39.58      -0.34    -1.87     16
  23       C     0.03     0.37     9.52     -39.58      -0.38    -0.01     16
  24       H     0.06     0.81     8.14     -51.93      -0.42     0.38     16
  25       H     0.05     0.74     5.73     -51.93      -0.30     0.45     16
  26       H     0.05     0.62     8.14     -51.93      -0.42     0.20     16
  27       H     0.07     1.33     8.14     -51.93      -0.42     0.91     16
  28       H     0.07     1.26     5.64     -51.93      -0.29     0.96     16
  29       H     0.10     1.88     6.84     -51.93      -0.36     1.53     16
  30       H     0.07     0.86     7.70     -51.93      -0.40     0.46     16
  31       H     0.12     2.23     5.88     -51.93      -0.31     1.92     16
  32       H     0.06     0.68     8.14     -51.93      -0.42     0.26     16
  33       H     0.07     0.93     4.44     -51.93      -0.23     0.70     16
  34       H     0.05     0.71     7.57     -51.93      -0.39     0.32     16
  35       H     0.19     2.14     7.62     -52.49      -0.40     1.74     16
  36       H     0.19     2.07     7.40     -52.49      -0.39     1.68     16
  37       H     0.19     1.80     7.40     -52.49      -0.39     1.41     16
  38       H     0.19     1.46     7.62     -52.49      -0.40     1.06     16
 Total:         -1.00   -37.02   341.35                 -4.83   -41.85