REAL300017942027.mol2 34                                                        
   1       C    -0.15    -2.82     8.43      37.16       0.31    -2.51     16
   2       C     0.01     0.32     1.04     -91.77      -0.10     0.22     16
   3       C    -0.15    -2.79     8.42      37.16       0.31    -2.47     16
   4       O    -0.09    -1.76    10.55     -32.17      -0.34    -2.10     16
   5       N    -0.99   -13.74     6.11      60.35       0.37   -13.37     16
   6       S     2.72    32.32     6.00    -107.50      -0.64    31.67     16
   7       O    -0.93   -11.68    17.28     -57.17      -0.99   -12.67     16
   8       O    -0.92   -13.16    17.29     -57.89      -1.00   -14.16     16
   9       C    -0.63    -6.16     5.97     -39.58      -0.24    -6.40     16
  10       C     0.01     0.09     9.52     -39.58      -0.38    -0.29     16
  11       C    -0.08    -0.43    10.05     -39.58      -0.40    -0.82     16
  12       C    -0.06    -0.45     8.62     -39.58      -0.34    -0.79     16
  13       C     0.35     3.86     4.82     -39.58      -0.19     3.67     16
  14       F    -0.13    -2.62    16.67       2.25       0.04    -2.58     16
  15       F    -0.18    -2.82    15.32       2.25       0.03    -2.79     16
  16       F    -0.16    -2.71    15.30       2.25       0.03    -2.68     16
  17       F    -0.17    -2.71    15.31       2.25       0.03    -2.68     16
  18       F    -0.17    -2.75    15.32       2.25       0.03    -2.72     16
  19       C    -0.02    -0.16     8.10     -39.58      -0.32    -0.48     16
  20       C     0.52    15.24     6.80      36.00       0.24    15.48     16
  21       O    -0.67   -21.35    17.67     -20.23      -0.36   -21.71     16
  22       O    -0.67   -21.48    17.40     -26.62      -0.46   -21.94     16
  23       H     0.07     1.41     8.09     -51.93      -0.42     0.99     16
  24       H     0.06     1.21     8.14     -51.93      -0.42     0.78     16
  25       H     0.05     0.67     6.96     -51.93      -0.36     0.30     16
  26       H     0.05     0.66     6.96     -51.93      -0.36     0.29     16
  27       H     0.06     1.10     8.14     -51.93      -0.42     0.67     16
  28       H     0.08     1.43     8.09     -51.93      -0.42     1.01     16
  29       H     0.42     4.80     6.55     -34.47      -0.23     4.57     16
  30       H     0.19     1.36     7.62     -52.49      -0.40     0.96     16
  31       H     0.19     0.29     8.06     -52.49      -0.42    -0.13     16
  32       H     0.19     1.06     7.40     -52.49      -0.39     0.67     16
  33       H     0.20     1.89     6.96     -52.49      -0.37     1.52     16
 Total:         -1.00   -41.91   324.96                 -3.65   -45.56