REAL300007716392.mol2 34                                                        
   1       C     0.03     0.42    11.01     101.05       1.11     1.54     16
   2       O    -0.37    -6.96     9.89     -35.23      -0.35    -7.31     16
   3       C     0.07     1.26     5.72      37.16       0.21     1.47     16
   4       C     0.08     1.52     3.05     -69.08      -0.21     1.31     16
   5       N    -1.07   -17.76     4.97      -5.88      -0.03   -17.79     16
   6       S     2.69    38.81     5.65    -107.50      -0.61    38.20     16
   7       O    -0.95   -14.19    17.28     -57.17      -0.99   -15.17     16
   8       O    -0.92   -17.33    17.05     -57.17      -0.97   -18.30     16
   9       C    -0.67    -6.33     5.82     -39.58      -0.23    -6.56     16
  10       C     0.04     0.32     8.88     -39.58      -0.35    -0.03     16
  11       C    -0.13    -1.07     8.62     -39.58      -0.34    -1.41     16
  12       C     0.41     4.10     4.82     -39.59      -0.19     3.90     16
  13       F    -0.14    -2.57    16.65       2.25       0.04    -2.53     16
  14       F    -0.17    -2.54    15.32       2.25       0.03    -2.50     16
  15       F    -0.17    -2.56    15.31       2.25       0.03    -2.53     16
  16       F    -0.17    -2.59    15.31       2.25       0.03    -2.56     16
  17       F    -0.16    -2.48    15.32       2.25       0.03    -2.44     16
  18       C    -0.13    -0.96     8.62     -39.59      -0.34    -1.30     16
  19       C     0.04     0.26     9.52     -39.58      -0.38    -0.12     16
  20       C     0.50    14.57     6.88      36.01       0.25    14.81     16
  21       O    -0.69   -22.68    18.00     -20.22      -0.36   -23.04     16
  22       O    -0.67   -21.76    17.36     -20.23      -0.35   -22.12     16
  23       H     0.03     0.37     8.14     -51.93      -0.42    -0.06     16
  24       H     0.04     0.49     8.14     -51.93      -0.42     0.07     16
  25       H     0.08     0.99     8.14     -51.93      -0.42     0.57     16
  26       H     0.07     1.12     8.14     -51.93      -0.42     0.70     16
  27       H     0.04     0.54     8.14     -51.93      -0.42     0.12     16
  28       H     0.09     1.40     7.21     -51.93      -0.37     1.03     16
  29       H     0.42     6.57     8.58     -34.47      -0.30     6.27     16
  30       H     0.20     1.51     7.62     -52.49      -0.40     1.11     16
  31       H     0.19     1.32     7.40     -52.49      -0.39     0.93     16
  32       H     0.19     1.05     7.40     -52.49      -0.39     0.67     16
  33       H     0.19     0.78     7.62     -52.48      -0.40     0.38     16
 Total:         -1.00   -44.36   327.59                 -3.38   -47.75