REAL300017427577.mol2 39                                                        
   1       C    -0.15    -2.15     9.91      37.15       0.37    -1.78     16
   2       C    -0.13    -2.32     4.99     -26.73      -0.13    -2.45     16
   3       C    -0.12    -2.10     2.88     -26.73      -0.08    -2.18     16
   4       C     0.10     1.89     0.90    -132.97      -0.12     1.77     16
   5       C    -0.15    -2.57     7.92      37.16       0.29    -2.28     16
   6       N    -1.07   -18.10     5.39      -0.40       0.00   -18.11     16
   7       S     2.69    36.34     5.41    -107.50      -0.58    35.75     16
   8       O    -0.94   -14.13    13.63     -57.17      -0.78   -14.91     16
   9       O    -0.96   -14.15    17.51     -57.17      -1.00   -15.15     16
  10       C    -0.67    -6.67     4.14     -39.58      -0.16    -6.83     16
  11       C     0.03     0.28     9.52     -39.58      -0.38    -0.09     16
  12       C    -0.13    -1.13     8.62     -39.59      -0.34    -1.47     16
  13       C     0.41     4.41     4.82     -39.58      -0.19     4.22     16
  14       F    -0.01    -0.21    16.66       2.25       0.04    -0.17     16
  15       F    -0.23    -3.62    15.31       2.25       0.03    -3.58     16
  16       F    -0.23    -3.57    15.32       2.25       0.03    -3.54     16
  17       F    -0.12    -1.81    15.31       2.25       0.03    -1.77     16
  18       F    -0.18    -2.82    15.31       2.25       0.03    -2.79     16
  19       C    -0.13    -1.14     8.62     -39.58      -0.34    -1.48     16
  20       C     0.03     0.29     7.21     -39.58      -0.29     0.00     16
  21       C     0.51    13.89     6.52      36.00       0.23    14.12     16
  22       O    -0.67   -19.94    14.85     -20.24      -0.30   -20.25     16
  23       O    -0.68   -20.73    16.73     -20.23      -0.34   -21.07     16
  24       H     0.05     0.65     8.14     -51.93      -0.42     0.23     16
  25       H     0.05     0.73     8.14     -51.93      -0.42     0.31     16
  26       H     0.04     0.55     8.14     -51.93      -0.42     0.13     16
  27       H     0.10     2.19     5.75     -51.93      -0.30     1.89     16
  28       H     0.06     1.00     6.68     -51.93      -0.35     0.65     16
  29       H     0.06     0.80     4.15     -51.93      -0.22     0.58     16
  30       H     0.08     1.49     7.75     -51.93      -0.40     1.09     16
  31       H     0.04     0.45     4.33     -51.93      -0.22     0.22     16
  32       H     0.06     0.95     8.14     -51.93      -0.42     0.52     16
  33       H     0.08     1.51     6.51     -51.93      -0.34     1.18     16
  34       H     0.43     7.54     7.86     -34.47      -0.27     7.26     16
  35       H     0.19     1.05     7.81     -52.48      -0.41     0.64     16
  36       H     0.19     1.34     7.40     -52.49      -0.39     0.96     16
  37       H     0.19     1.34     7.40     -52.49      -0.39     0.95     16
  38       H     0.19     1.39     6.02     -52.49      -0.32     1.07     16
 Total:         -1.00   -37.09   331.72                 -4.25   -41.35