REAL300017247994.mol2 34                                                        
   1       C    -0.19    -2.14     9.38      37.16       0.35    -1.79     16
   2       C     0.11     1.86     3.26     -26.73      -0.09     1.77     16
   3       H     0.06     1.03     8.14     -51.93      -0.42     0.61     16
   4       O    -0.54    -9.94    12.93     -35.23      -0.46   -10.40     16
   5       C     0.09     1.75     2.43     -69.08      -0.17     1.59     16
   6       H     0.08     1.51     7.21     -51.93      -0.37     1.14     16
   7       N    -1.07   -17.41     4.37      -5.88      -0.03   -17.43     16
   8       S     2.69    39.25     5.65    -107.50      -0.61    38.64     16
   9       O    -0.95   -13.93    17.28     -57.17      -0.99   -14.92     16
  10       O    -0.92   -17.74    17.05     -57.17      -0.97   -18.71     16
  11       C    -0.67    -6.82     5.82     -39.58      -0.23    -7.05     16
  12       C     0.04     0.36     8.88     -39.58      -0.35     0.01     16
  13       C    -0.13    -1.22     8.62     -39.59      -0.34    -1.56     16
  14       C     0.41     4.36     4.82     -39.58      -0.19     4.17     16
  15       F    -0.01    -0.19    16.66       2.25       0.04    -0.16     16
  16       F    -0.12    -1.77    15.31       2.25       0.03    -1.74     16
  17       F    -0.18    -2.82    15.31       2.25       0.03    -2.78     16
  18       F    -0.24    -3.75    15.31       2.25       0.03    -3.72     16
  19       F    -0.22    -3.40    15.32       2.25       0.03    -3.37     16
  20       C    -0.13    -1.04     8.62     -39.58      -0.34    -1.38     16
  21       C     0.03     0.24     9.52     -39.58      -0.38    -0.14     16
  22       C     0.50    14.82     6.88      36.01       0.25    15.07     16
  23       O    -0.68   -22.88    17.99     -20.23      -0.36   -23.24     16
  24       O    -0.69   -22.38    17.59     -20.23      -0.36   -22.74     16
  25       H     0.06     0.56     8.14     -51.93      -0.42     0.14     16
  26       H     0.06     0.60     7.60     -51.93      -0.39     0.20     16
  27       H     0.06     0.67     8.14     -51.93      -0.42     0.25     16
  28       H     0.37     4.53     9.08      45.56       0.41     4.95     16
  29       H     0.42     5.84     8.84     -34.47      -0.30     5.54     16
  30       H     0.20     1.84     7.62     -52.48      -0.40     1.44     16
  31       H     0.19     1.59     7.40     -52.48      -0.39     1.20     16
  32       H     0.19     1.12     7.40     -52.48      -0.39     0.73     16
  33       H     0.19     0.82     7.62     -52.49      -0.40     0.42     16
 Total:         -1.00   -44.68   326.20                 -3.68   -48.35