REAL300008278700.mol2 35                                                        
   1       O    -0.68   -22.87    17.10     -20.23      -0.35   -23.22     16
   2       C     0.53    16.11     7.86      36.00       0.28    16.39     16
   3       O    -0.69   -23.10    17.78     -20.23      -0.36   -23.46     16
   4       C    -0.20    -4.24     2.90    -154.26      -0.45    -4.69     16
   5       C    -0.11    -1.97     9.81     -26.73      -0.26    -2.23     16
   6       C    -0.17    -2.91     6.92     -89.22      -0.62    -3.53     16
   7       C     0.15     1.81     7.02      -2.41      -0.02     1.79     16
   8       N    -1.01   -13.60     3.70    -110.96      -0.41   -14.01     16
   9       S     2.71    31.78     6.02    -107.50      -0.65    31.13     16
  10       O    -0.92   -14.02    16.59     -57.17      -0.95   -14.97     16
  11       O    -0.94   -12.19    16.69     -57.17      -0.95   -13.14     16
  12       C    -0.67    -4.76     5.97     -39.59      -0.24    -4.99     16
  13       C     0.04     0.18     9.52     -39.58      -0.38    -0.19     16
  14       C    -0.13    -0.76     8.62     -39.58      -0.34    -1.11     16
  15       C     0.42     3.53     4.82     -39.59      -0.19     3.34     16
  16       F    -0.13    -2.27    16.66       2.25       0.04    -2.23     16
  17       F    -0.17    -2.37    15.31       2.25       0.03    -2.34     16
  18       F    -0.17    -2.43    15.32       2.25       0.03    -2.40     16
  19       F    -0.17    -2.42    15.32       2.25       0.03    -2.38     16
  20       F    -0.17    -2.39    15.31       2.25       0.03    -2.36     16
  21       C    -0.13    -0.82     8.62     -39.58      -0.34    -1.16     16
  22       C     0.04     0.23     9.52     -39.58      -0.38    -0.14     16
  23       C     0.16     2.66     6.69      -2.90      -0.02     2.64     16
  24       H     0.11     1.94     8.14     -51.93      -0.42     1.52     16
  25       H     0.08     1.13     8.14     -51.93      -0.42     0.71     16
  26       H     0.12     2.24     8.14     -51.93      -0.42     1.81     16
  27       H     0.09     0.93     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     0.48     7.62     -52.49      -0.40     0.08     16
  30       H     0.19     0.83     7.40     -52.49      -0.39     0.44     16
  31       H     0.19     0.97     7.40     -52.48      -0.39     0.58     16
  32       H     0.20     0.83     7.62     -52.49      -0.40     0.43     16
  33       H     0.06     0.83     8.14     -51.93      -0.42     0.41     16
  34       H     0.11     2.04     6.91     -51.93      -0.36     1.69     16
 Total:         -1.00   -43.97   329.44                 -5.92   -49.89