REAL300007569212.mol2 36                                                        
   1       C     0.08     0.53    10.68      59.85       0.64     1.17     16
   2       N    -0.99    -9.08     3.18    -121.75      -0.39    -9.47     16
   3       C     0.12     1.34     5.32      -4.04      -0.02     1.31     16
   4       C    -0.11    -2.12     4.82     -26.73      -0.13    -2.25     16
   5       C    -0.18    -4.18     5.78     -27.89      -0.16    -4.34     16
   6       C     0.49    15.75     8.05      36.00       0.29    16.04     16
   7       O    -0.70   -24.26    16.88     -20.23      -0.34   -24.60     16
   8       O    -0.71   -25.38    18.00     -20.23      -0.36   -25.74     16
   9       S     2.69    24.32     5.65    -107.50      -0.61    23.71     16
  10       O    -0.92   -11.63    16.25     -57.17      -0.93   -12.55     16
  11       O    -0.94    -9.86    15.89     -57.17      -0.91   -10.77     16
  12       C    -0.67    -3.55     5.97     -39.58      -0.24    -3.79     16
  13       C     0.04     0.13     9.52     -39.58      -0.38    -0.25     16
  14       C    -0.13    -0.60     8.62     -39.58      -0.34    -0.94     16
  15       C     0.41     3.05     4.82     -39.59      -0.19     2.86     16
  16       F    -0.13    -2.17    16.67       2.25       0.04    -2.14     16
  17       F    -0.16    -2.21    15.30       2.25       0.03    -2.18     16
  18       F    -0.17    -2.21    15.32       2.25       0.03    -2.17     16
  19       F    -0.16    -2.19    15.32       2.25       0.03    -2.15     16
  20       F    -0.17    -2.26    15.31       2.25       0.03    -2.23     16
  21       C    -0.13    -0.67     8.62     -39.58      -0.34    -1.01     16
  22       C     0.04     0.17     9.52     -39.58      -0.38    -0.21     16
  23       H     0.06     0.21     8.14     -51.93      -0.42    -0.21     16
  24       H     0.08     0.54     7.02     -51.93      -0.36     0.18     16
  25       H     0.09     0.66     8.07     -51.93      -0.42     0.24     16
  26       H     0.08     0.76     7.61     -51.93      -0.40     0.36     16
  27       H     0.08     0.78     8.11     -51.93      -0.42     0.36     16
  28       H     0.07     1.31     8.10     -51.93      -0.42     0.89     16
  29       H     0.07     1.48     8.10     -51.93      -0.42     1.06     16
  30       H     0.06     1.28     8.14     -51.93      -0.42     0.85     16
  31       H     0.06     1.21     8.14     -51.93      -0.42     0.79     16
  32       H     0.19     0.16     7.62     -52.48      -0.40    -0.24     16
  33       H     0.19     0.62     7.40     -52.49      -0.39     0.23     16
  34       H     0.19     0.78     7.40     -52.48      -0.39     0.40     16
  35       H     0.20     0.52     7.62     -52.49      -0.40     0.12     16
 Total:         -1.00   -46.79   336.98                 -4.82   -51.61