REAL300017941732.mol2 34                                                        
   1       C    -0.15    -2.75     8.43      37.16       0.31    -2.44     16
   2       C     0.01     0.31     1.04     -91.77      -0.10     0.22     16
   3       C    -0.15    -2.65     8.42      37.16       0.31    -2.34     16
   4       O    -0.09    -1.72    10.55     -32.17      -0.34    -2.06     16
   5       N    -0.99   -12.70     6.11      60.35       0.37   -12.33     16
   6       S     2.72    28.96     6.00    -107.50      -0.65    28.32     16
   7       O    -0.94    -9.85    17.28     -57.17      -0.99   -10.84     16
   8       O    -0.92   -12.88    17.29     -57.89      -1.00   -13.88     16
   9       C    -0.67    -5.78     5.97     -39.58      -0.24    -6.02     16
  10       C     0.06     0.50     9.52     -39.58      -0.38     0.12     16
  11       C    -0.13    -1.19     8.62     -39.58      -0.34    -1.53     16
  12       C     0.42     4.47     4.82     -39.58      -0.19     4.28     16
  13       F    -0.14    -2.69    16.67       2.25       0.04    -2.65     16
  14       F    -0.17    -2.74    15.30       2.25       0.03    -2.70     16
  15       F    -0.17    -2.67    15.32       2.25       0.03    -2.64     16
  16       F    -0.17    -2.71    15.32       2.25       0.03    -2.67     16
  17       F    -0.15    -2.58    15.31       2.25       0.03    -2.55     16
  18       C    -0.13    -1.02     8.62     -39.58      -0.34    -1.36     16
  19       C     0.04     0.23     9.52     -39.58      -0.38    -0.15     16
  20       C     0.52    15.23     6.80      36.00       0.24    15.48     16
  21       O    -0.67   -21.38    17.67     -20.23      -0.36   -21.74     16
  22       O    -0.67   -21.69    17.40     -26.62      -0.46   -22.16     16
  23       H     0.07     1.38     8.09     -51.93      -0.42     0.96     16
  24       H     0.06     1.19     8.14     -51.93      -0.42     0.77     16
  25       H     0.05     0.63     6.96     -51.93      -0.36     0.27     16
  26       H     0.05     0.59     6.96     -51.93      -0.36     0.22     16
  27       H     0.06     1.06     8.14     -51.93      -0.42     0.64     16
  28       H     0.08     1.37     8.09     -51.93      -0.42     0.95     16
  29       H     0.42     4.22     6.55     -34.47      -0.23     4.00     16
  30       H     0.20     1.60     7.62     -52.49      -0.40     1.20     16
  31       H     0.19     1.58     7.40     -52.49      -0.39     1.19     16
  32       H     0.19     1.11     7.40     -52.49      -0.39     0.72     16
  33       H     0.19     0.55     7.62     -52.49      -0.40     0.15     16
 Total:         -1.00   -42.01   324.95                 -3.65   -45.66