REAL300017239910.mol2 35                                                        
   1       O    -0.68   -22.82    17.18     -20.23      -0.35   -23.17     16
   2       C     0.53    16.08     7.86      36.00       0.28    16.36     16
   3       O    -0.69   -23.04    17.78     -20.23      -0.36   -23.40     16
   4       C    -0.20    -4.24     2.91    -154.26      -0.45    -4.69     16
   5       C    -0.12    -1.97     9.77     -26.73      -0.26    -2.23     16
   6       C    -0.17    -2.90     6.84     -89.22      -0.61    -3.51     16
   7       H     0.12     2.22     8.14     -51.93      -0.42     1.79     16
   8       C     0.15     1.83     7.08      -2.41      -0.02     1.82     16
   9       N    -1.01   -13.61     3.80    -108.45      -0.41   -14.02     16
  10       S     2.71    31.64     6.03    -107.50      -0.65    31.00     16
  11       O    -0.92   -13.90    16.54     -57.17      -0.95   -14.84     16
  12       O    -0.94   -12.24    16.69     -57.17      -0.95   -13.19     16
  13       C    -0.67    -4.75     5.97     -39.58      -0.24    -4.99     16
  14       C     0.04     0.19     9.52     -39.58      -0.38    -0.19     16
  15       C    -0.13    -0.76     8.62     -39.58      -0.34    -1.10     16
  16       C     0.41     3.48     4.82     -39.59      -0.19     3.29     16
  17       F    -0.13    -2.33    16.66       2.25       0.04    -2.29     16
  18       F    -0.16    -2.35    15.31       2.25       0.03    -2.31     16
  19       F    -0.17    -2.34    15.32       2.25       0.03    -2.31     16
  20       F    -0.16    -2.34    15.32       2.25       0.03    -2.31     16
  21       F    -0.17    -2.35    15.31       2.25       0.03    -2.32     16
  22       C    -0.13    -0.82     8.62     -39.58      -0.34    -1.16     16
  23       C     0.04     0.24     9.52     -39.58      -0.38    -0.14     16
  24       C     0.16     2.77     6.81      -1.09      -0.01     2.76     16
  25       H     0.11     1.94     8.14     -51.93      -0.42     1.51     16
  26       H     0.09     1.13     8.14     -51.93      -0.42     0.71     16
  27       H     0.09     0.92     7.73     -51.93      -0.40     0.52     16
  28       H     0.07     0.64     8.14     -51.93      -0.42     0.22     16
  29       H     0.19     0.49     7.62     -52.49      -0.40     0.09     16
  30       H     0.19     0.83     7.40     -52.49      -0.39     0.44     16
  31       H     0.19     0.96     7.40     -52.48      -0.39     0.57     16
  32       H     0.20     0.81     7.62     -52.49      -0.40     0.42     16
  33       H     0.06     0.86     8.10     -51.93      -0.42     0.44     16
  34       H     0.11     2.06     7.03     -51.93      -0.36     1.70     16
 Total:         -1.00   -43.66   329.74                 -5.90   -49.57