REAL300010784499.mol2 33                                                        
   1       C     0.08     0.69    10.68      59.85       0.64     1.32     16
   2       N    -0.99   -11.81     3.18    -121.75      -0.39   -12.19     16
   3       C     0.14     2.38     4.61      -4.04      -0.02     2.36     16
   4       C    -0.20    -4.54     6.10     -27.89      -0.17    -4.71     16
   5       C     0.50    15.26     8.05      36.00       0.29    15.55     16
   6       O    -0.70   -22.76    16.88     -20.22      -0.34   -23.10     16
   7       O    -0.70   -24.38    18.00     -20.23      -0.36   -24.74     16
   8       S     2.68    29.31     5.65    -107.50      -0.61    28.70     16
   9       O    -0.93   -13.50    16.25     -57.17      -0.93   -14.43     16
  10       O    -0.94   -10.88    15.89     -57.17      -0.91   -11.79     16
  11       C    -0.67    -4.92     5.97     -39.58      -0.24    -5.16     16
  12       C     0.03     0.17     9.52     -39.58      -0.38    -0.20     16
  13       C    -0.13    -0.81     8.62     -39.58      -0.34    -1.15     16
  14       C     0.42     3.77     4.82     -39.59      -0.19     3.58     16
  15       F    -0.13    -2.32    16.67       2.25       0.04    -2.28     16
  16       F    -0.16    -2.43    15.30       2.25       0.03    -2.40     16
  17       F    -0.18    -2.54    15.32       2.25       0.03    -2.51     16
  18       F    -0.17    -2.53    15.32       2.25       0.03    -2.49     16
  19       F    -0.17    -2.47    15.31       2.25       0.03    -2.43     16
  20       C    -0.13    -0.93     8.62     -39.58      -0.34    -1.27     16
  21       C     0.04     0.28     9.52     -39.58      -0.38    -0.10     16
  22       H     0.06     0.33     8.14     -51.93      -0.42    -0.09     16
  23       H     0.08     0.61     7.02     -51.93      -0.36     0.25     16
  24       H     0.09     0.80     8.07     -51.93      -0.42     0.38     16
  25       H     0.08     1.41     7.57     -51.93      -0.39     1.02     16
  26       H     0.09     1.44     8.07     -51.93      -0.42     1.02     16
  27       H     0.06     1.32     8.14     -51.93      -0.42     0.90     16
  28       H     0.07     1.50     8.14     -51.93      -0.42     1.07     16
  29       H     0.19     0.41     7.62     -52.48      -0.40     0.01     16
  30       H     0.19     0.86     7.40     -52.49      -0.39     0.47     16
  31       H     0.19     1.18     7.40     -52.48      -0.39     0.79     16
  32       H     0.20     1.11     7.62     -52.49      -0.40     0.71     16
 Total:         -1.00   -43.99   315.48                 -4.17   -48.16