REAL300010966671.mol2 34                                                        
   1       O    -0.68   -20.61    15.51     -20.23      -0.31   -20.92     16
   2       C     0.53    14.91     6.91      36.00       0.25    15.16     16
   3       O    -0.68   -21.71    17.57     -20.23      -0.36   -22.06     16
   4       C    -0.19    -4.07     2.45    -155.66      -0.38    -4.45     16
   5       C     0.17     2.62     6.35      -4.04      -0.03     2.60     16
   6       N    -1.09   -17.68     5.90     -10.61      -0.06   -17.74     16
   7       S     2.69    33.32     5.74    -107.50      -0.62    32.70     16
   8       O    -0.94   -13.84    17.28     -57.17      -0.99   -14.83     16
   9       O    -0.95   -12.68    16.76     -57.17      -0.96   -13.63     16
  10       C    -0.67    -5.79     5.95     -39.59      -0.24    -6.03     16
  11       C     0.03     0.23     9.52     -39.58      -0.38    -0.15     16
  12       C    -0.13    -0.96     8.62     -39.59      -0.34    -1.31     16
  13       C     0.42     4.18     4.82     -39.58      -0.19     3.98     16
  14       F    -0.13    -2.50    16.66       2.25       0.04    -2.46     16
  15       F    -0.16    -2.59    15.31       2.25       0.03    -2.56     16
  16       F    -0.17    -2.64    15.31       2.25       0.03    -2.61     16
  17       F    -0.17    -2.64    15.31       2.25       0.03    -2.61     16
  18       F    -0.17    -2.61    15.32       2.25       0.03    -2.57     16
  19       C    -0.13    -1.03     8.62     -39.58      -0.34    -1.37     16
  20       C     0.04     0.31     9.52     -39.59      -0.38    -0.07     16
  21       C    -0.16    -2.95     9.88     -26.74      -0.26    -3.22     16
  22       C    -0.16    -2.82     9.77     -26.73      -0.26    -3.08     16
  23       H     0.07     0.93     7.51     -51.93      -0.39     0.54     16
  24       H     0.06     0.80     8.14     -51.93      -0.42     0.37     16
  25       H     0.44     8.85     5.50     -34.47      -0.19     8.66     16
  26       H     0.19     0.76     7.62     -52.48      -0.40     0.36     16
  27       H     0.19     1.10     7.40     -52.49      -0.39     0.71     16
  28       H     0.19     1.24     7.40     -52.48      -0.39     0.85     16
  29       H     0.20     1.08     7.62     -52.49      -0.40     0.68     16
  30       H     0.09     1.32     8.05     -51.92      -0.42     0.90     16
  31       H     0.09     1.71     8.14     -51.93      -0.42     1.28     16
  32       H     0.10     1.94     7.98     -51.93      -0.41     1.53     16
  33       H     0.09     1.20     8.14     -51.93      -0.42     0.78     16
 Total:         -1.00   -40.62   322.60                 -5.06   -45.69