REAL300007574080.mol2 30                                                        
   1       C     0.09     1.26    10.67      59.85       0.64     1.90     15
   2       N    -0.96   -16.30     2.67    -123.05      -0.33   -16.62     15
   3       C     0.05     1.04     5.88      -5.20      -0.03     1.01     15
   4       C     0.48    14.36     8.12      36.01       0.29    14.65     15
   5       O    -0.68   -22.20    17.32     -20.22      -0.35   -22.55     15
   6       O    -0.70   -23.33    18.00     -20.23      -0.36   -23.69     15
   7       S     2.69    41.31     5.65    -107.50      -0.61    40.70     15
   8       O    -0.93   -17.77    16.25     -57.17      -0.93   -18.70     15
   9       O    -0.94   -15.41    15.89     -57.17      -0.91   -16.31     15
  10       C    -0.67    -6.56     5.97     -39.58      -0.24    -6.80     15
  11       C     0.03     0.20     9.52     -39.58      -0.38    -0.17     15
  12       C    -0.12    -0.95     8.62     -39.58      -0.34    -1.30     15
  13       C     0.36     3.60     4.82     -39.59      -0.19     3.41     15
  14       F    -0.11    -1.91    16.67       2.25       0.04    -1.87     15
  15       F    -0.12    -1.59    15.30       2.25       0.03    -1.55     15
  16       F    -0.28    -4.49    15.32       2.25       0.03    -4.45     15
  17       F    -0.17    -2.71    15.32       2.25       0.03    -2.67     15
  18       F    -0.06    -0.86    15.31       2.25       0.03    -0.83     15
  19       C    -0.12    -1.01     8.62     -39.58      -0.34    -1.35     15
  20       C     0.03     0.27     9.52     -39.58      -0.38    -0.11     15
  21       H     0.05     0.43     8.14     -51.93      -0.42     0.01     15
  22       H     0.08     1.04     7.02     -51.93      -0.36     0.68     15
  23       H     0.08     1.30     8.07     -51.93      -0.42     0.88     15
  24       H     0.08     1.41     7.61     -51.93      -0.40     1.02     15
  25       H     0.08     1.43     8.11     -51.93      -0.42     1.01     15
  26       H     0.19     0.92     7.62     -52.48      -0.40     0.52     15
  27       H     0.19     1.12     7.40     -52.49      -0.39     0.73     15
  28       H     0.19     1.22     7.40     -52.48      -0.39     0.83     15
  29       H     0.19     1.33     7.62     -52.49      -0.40     0.93     15
 Total:         -1.00   -42.81   294.44                 -3.44   -46.25