REAL300007754593.mol2 36                                                        
   1       C     0.09     1.13     9.51      59.85       0.57     1.70     16
   2       N    -0.96   -16.77     2.76    -108.95      -0.30   -17.07     16
   3       C     0.10     2.09     0.95    -132.97      -0.13     1.96     16
   4       C    -0.13    -2.17     7.07      37.16       0.26    -1.90     16
   5       C    -0.17    -2.87     7.44      37.16       0.28    -2.59     16
   6       C     0.50    14.58     5.91      36.01       0.21    14.79     16
   7       O    -0.68   -21.90    15.38     -26.91      -0.41   -22.31     16
   8       O    -0.69   -22.38    17.71     -20.23      -0.36   -22.73     16
   9       S     2.69    46.73     4.42    -107.50      -0.47    46.25     16
  10       O    -0.95   -17.48    16.75     -57.17      -0.96   -18.44     16
  11       O    -0.90   -19.60    12.43     -65.85      -0.82   -20.42     16
  12       C    -0.67    -7.57     5.94     -39.59      -0.24    -7.80     16
  13       C     0.03     0.31     8.68     -39.58      -0.34    -0.04     16
  14       C    -0.12    -1.11     8.62     -39.58      -0.34    -1.45     16
  15       C     0.36     3.85     4.82     -39.58      -0.19     3.66     16
  16       F    -0.11    -1.97    16.67       2.25       0.04    -1.94     16
  17       F    -0.07    -0.96    15.30       2.25       0.03    -0.93     16
  18       F    -0.17    -2.73    15.32       2.25       0.03    -2.69     16
  19       F    -0.27    -4.55    15.32       2.25       0.03    -4.52     16
  20       F    -0.12    -1.75    15.30       2.25       0.03    -1.71     16
  21       C    -0.12    -1.04     8.62     -39.58      -0.34    -1.38     16
  22       C     0.02     0.20     9.52     -39.58      -0.38    -0.17     16
  23       H     0.06     0.90     8.14     -51.93      -0.42     0.48     16
  24       H     0.06     0.53     7.95     -51.93      -0.41     0.12     16
  25       H     0.08     0.84     5.68     -51.93      -0.30     0.54     16
  26       H     0.05     0.64     7.21     -51.93      -0.37     0.27     16
  27       H     0.07     1.32     8.09     -51.92      -0.42     0.90     16
  28       H     0.06     0.99     7.54     -51.93      -0.39     0.60     16
  29       H     0.07     1.17     4.47     -51.93      -0.23     0.94     16
  30       H     0.08     1.47     8.14     -51.93      -0.42     1.04     16
  31       H     0.05     0.59     8.11     -51.93      -0.42     0.17     16
  32       H     0.19     1.74     6.13     -52.49      -0.32     1.42     16
  33       H     0.19     1.37     7.40     -52.48      -0.39     0.98     16
  34       H     0.19     1.22     7.40     -52.49      -0.39     0.84     16
  35       H     0.19     1.06     7.76     -52.48      -0.41     0.66     16
 Total:         -1.00   -42.10   318.47                 -3.88   -45.98