REAL300008011697.mol2 39                                                        
   1       C    -0.15    -2.71     8.01      37.16       0.30    -2.41     16
   2       C    -0.04    -0.71     0.53    -154.51      -0.08    -0.80     16
   3       C    -0.15    -2.64     8.00      37.16       0.30    -2.34     16
   4       C     0.11     1.33     5.11      -4.04      -0.02     1.31     16
   5       N    -1.10   -10.81     5.33     -10.62      -0.06   -10.87     16
   6       S     2.69    23.80     5.74    -107.50      -0.62    23.18     16
   7       O    -0.94   -10.70    17.28     -57.17      -0.99   -11.69     16
   8       O    -0.93    -9.87    16.76     -57.17      -0.96   -10.83     16
   9       C    -0.63    -3.97     5.95     -39.58      -0.24    -4.21     16
  10       C    -0.01    -0.02     9.52     -39.59      -0.38    -0.40     16
  11       C    -0.08    -0.13    10.05     -39.59      -0.40    -0.53     16
  12       C    -0.06    -0.27     8.62     -39.58      -0.34    -0.61     16
  13       C     0.36     3.07     4.82     -39.59      -0.19     2.88     16
  14       F    -0.13    -2.30    16.66       2.25       0.04    -2.26     16
  15       F    -0.18    -2.55    15.32       2.25       0.03    -2.51     16
  16       F    -0.16    -2.44    15.30       2.25       0.03    -2.41     16
  17       F    -0.17    -2.49    15.31       2.25       0.03    -2.45     16
  18       F    -0.16    -2.47    15.32       2.25       0.03    -2.44     16
  19       C    -0.01    -0.10     8.10     -39.58      -0.32    -0.42     16
  20       C    -0.18    -3.79     4.85     -27.88      -0.14    -3.92     16
  21       C     0.49    14.64     7.46      36.01       0.27    14.91     16
  22       O    -0.68   -21.01    12.24     -20.23      -0.25   -21.26     16
  23       O    -0.70   -24.01    18.00     -20.23      -0.36   -24.37     16
  24       H     0.10     2.31     5.50     -51.93      -0.29     2.02     16
  25       H     0.04     0.67     8.14     -51.93      -0.42     0.25     16
  26       H     0.04     0.55     7.20     -51.93      -0.37     0.17     16
  27       H     0.03     0.50     6.60     -51.93      -0.34     0.16     16
  28       H     0.04     0.61     8.14     -51.93      -0.42     0.19     16
  29       H     0.10     2.33     5.50     -51.93      -0.29     2.04     16
  30       H     0.08     0.85     7.75     -51.93      -0.40     0.45     16
  31       H     0.06     0.57     8.14     -51.93      -0.42     0.14     16
  32       H     0.43     4.11     6.47     -34.47      -0.22     3.89     16
  33       H     0.18     0.25     7.62     -52.48      -0.40    -0.15     16
  34       H     0.19    -0.43     8.06     -52.48      -0.42    -0.86     16
  35       H     0.19     0.59     7.40     -52.49      -0.39     0.20     16
  36       H     0.20     1.57     6.96     -52.48      -0.37     1.20     16
  37       H     0.06     1.16     8.14     -51.93      -0.42     0.73     16
  38       H     0.06     1.21     8.14     -51.93      -0.42     0.79     16
 Total:         -1.00   -43.33   344.05                 -4.71   -48.04