REAL300007708517.mol2 34                                                        
   1       C    -0.20    -2.31    14.32      29.01       0.42    -1.90     16
   2       C    -0.15    -1.81     9.25     -36.03      -0.33    -2.14     16
   3       C    -0.09    -1.40     5.24     -27.89      -0.15    -1.55     16
   4       C     0.09     1.67     2.62     -69.09      -0.18     1.49     16
   5       N    -1.07   -16.78     4.83      -5.88      -0.03   -16.81     16
   6       S     2.69    37.79     5.65    -107.50      -0.61    37.19     16
   7       O    -0.95   -13.70    17.28     -57.17      -0.99   -14.68     16
   8       O    -0.92   -17.19    17.05     -57.17      -0.97   -18.17     16
   9       C    -0.67    -6.40     5.82     -39.58      -0.23    -6.63     16
  10       C     0.04     0.36     8.88     -39.58      -0.35     0.01     16
  11       C    -0.13    -1.12     8.62     -39.59      -0.34    -1.47     16
  12       C     0.42     4.29     4.82     -39.59      -0.19     4.10     16
  13       F    -0.13    -2.55    16.66       2.25       0.04    -2.51     16
  14       F    -0.17    -2.66    15.31       2.25       0.03    -2.63     16
  15       F    -0.17    -2.65    15.31       2.25       0.03    -2.61     16
  16       F    -0.17    -2.68    15.31       2.25       0.03    -2.65     16
  17       F    -0.16    -2.57    15.31       2.25       0.03    -2.54     16
  18       C    -0.13    -1.00     8.62     -39.58      -0.34    -1.34     16
  19       C     0.04     0.25     9.52     -39.58      -0.38    -0.13     16
  20       C     0.49    13.88     7.23      36.01       0.26    14.14     16
  21       O    -0.69   -22.10    18.00     -20.23      -0.36   -22.47     16
  22       O    -0.68   -21.36    17.59     -20.23      -0.36   -21.72     16
  23       H     0.09     0.93     8.06     -52.48      -0.42     0.51     16
  24       H     0.10     1.13     7.84     -52.49      -0.41     0.72     16
  25       H     0.10     1.01     8.03     -52.49      -0.42     0.59     16
  26       H     0.08     1.31     8.14     -51.93      -0.42     0.89     16
  27       H     0.08     1.42     7.79     -51.93      -0.40     1.01     16
  28       H     0.08     1.28     7.21     -51.93      -0.37     0.91     16
  29       H     0.42     5.73     8.84     -34.47      -0.30     5.43     16
  30       H     0.20     1.65     7.62     -52.48      -0.40     1.25     16
  31       H     0.19     1.44     7.40     -52.49      -0.39     1.05     16
  32       H     0.19     1.10     7.40     -52.48      -0.39     0.71     16
  33       H     0.19     0.76     7.62     -52.49      -0.40     0.36     16
 Total:         -1.00   -42.27   329.21                 -4.34   -46.61