REAL300009700686.mol2 35                                                        
   1       C    -0.11    -2.18     8.25      37.15       0.31    -1.88     16
   2       C    -0.18    -4.16     2.31     -92.92      -0.21    -4.37     16
   3       C     0.51    16.31     6.79      36.01       0.24    16.55     16
   4       O    -0.69   -23.70    16.84     -20.22      -0.34   -24.04     16
   5       O    -0.68   -24.21    17.63     -23.84      -0.42   -24.63     16
   6       C     0.54    10.88     6.81     -10.98      -0.07    10.81     16
   7       O    -0.52   -12.16    15.16      -2.31      -0.04   -12.19     16
   8       N    -0.63    -8.50     2.86    -182.95      -0.52    -9.02     16
   9       C     0.07     0.73     9.85      59.85       0.59     1.32     16
  10       C     0.15     1.50     5.53      -5.20      -0.03     1.47     16
  11       C    -0.05    -0.44     5.46    -104.62      -0.57    -1.01     16
  12       C    -0.07    -0.61     9.70     -39.58      -0.38    -0.99     16
  13       C    -0.07    -0.43    10.05     -39.58      -0.40    -0.83     16
  14       C    -0.10    -0.82     8.62     -39.58      -0.34    -1.16     16
  15       C     0.32     3.36     4.82     -39.58      -0.19     3.17     16
  16       F    -0.12    -2.21    16.66       2.25       0.04    -2.17     16
  17       F    -0.29    -5.01    15.31       2.25       0.03    -4.97     16
  18       F    -0.10    -1.48    15.31       2.25       0.03    -1.44     16
  19       F    -0.06    -0.82    15.32       2.25       0.03    -0.79     16
  20       F    -0.19    -3.16    15.31       2.25       0.03    -3.12     16
  21       C    -0.10    -0.85     8.28     -39.58      -0.33    -1.18     16
  22       H     0.04     0.59     5.82     -51.92      -0.30     0.29     16
  23       H     0.05     1.14     8.14     -51.93      -0.42     0.71     16
  24       H     0.07     1.36     8.00     -51.93      -0.42     0.95     16
  25       H     0.09     1.77     7.47     -51.92      -0.39     1.38     16
  26       H     0.06     0.57     8.14     -51.93      -0.42     0.15     16
  27       H     0.07     0.49     8.03     -51.93      -0.42     0.08     16
  28       H     0.08     0.92     4.57     -51.93      -0.24     0.68     16
  29       H     0.10     0.64     8.02     -51.93      -0.42     0.23     16
  30       H     0.11     1.23     7.32     -51.93      -0.38     0.85     16
  31       H     0.17     1.59     7.74     -52.49      -0.41     1.18     16
  32       H     0.18     0.56     8.06     -52.49      -0.42     0.13     16
  33       H     0.18     1.21     7.40     -52.49      -0.39     0.82     16
  34       H     0.17     1.34     7.40     -52.49      -0.39     0.95     16
 Total:         -1.00   -44.55   312.98                 -2.82   -47.37