REAL300005947744.mol2 37                                                        
   1       C     0.09     0.66     9.12      59.84       0.55     1.20     16
   2       N    -0.60    -5.55     2.86    -183.87      -0.53    -6.07     16
   3       C     0.16     0.85     5.47      -5.19      -0.03     0.82     16
   4       C    -0.06    -0.31     5.46    -104.62      -0.57    -0.88     16
   5       C    -0.09    -0.19     9.70     -39.58      -0.38    -0.57     16
   6       C    -0.07    -0.14    10.05     -39.58      -0.40    -0.54     16
   7       C    -0.11    -0.62     8.62     -39.58      -0.34    -0.96     16
   8       C     0.36     3.58     4.82     -39.58      -0.19     3.39     16
   9       F    -0.02    -0.29    16.66       2.25       0.04    -0.25     16
  10       F    -0.13    -1.90    15.31       2.25       0.03    -1.87     16
  11       F    -0.15    -2.73    15.31       2.25       0.03    -2.70     16
  12       F    -0.24    -3.99    15.31       2.25       0.03    -3.95     16
  13       F    -0.22    -3.67    15.31       2.25       0.03    -3.63     16
  14       C    -0.09    -0.81     8.13     -39.58      -0.32    -1.13     16
  15       C     0.59     8.10     7.65     -12.09      -0.09     8.01     16
  16       O    -0.53    -8.16    15.17       5.38       0.08    -8.08     16
  17       C    -0.01    -0.14     6.57     -82.69      -0.54    -0.68     16
  18       C     0.10     1.99    10.77     -17.04      -0.18     1.81     16
  19       N    -0.41    -9.69    10.24      -9.33      -0.10    -9.78     16
  20       C     0.07     1.72     6.76     -82.76      -0.56     1.16     16
  21       C     0.53    16.62     8.05      34.80       0.28    16.90     16
  22       O    -0.65   -22.41    17.80     -20.48      -0.36   -22.77     16
  23       O    -0.67   -21.62    17.24     -20.47      -0.35   -21.97     16
  24       C     0.07     1.36    10.77     -17.00      -0.18     1.17     16
  25       N    -0.42    -6.88     6.35      -9.26      -0.06    -6.94     16
  26       H     0.07     0.54     8.01     -51.93      -0.42     0.12     16
  27       H     0.10     1.01     5.77     -51.93      -0.30     0.71     16
  28       H     0.06     0.22     8.03     -51.93      -0.42    -0.20     16
  29       H     0.11     0.69     7.45     -51.93      -0.39     0.30     16
  30       H     0.11     0.18     8.02     -51.93      -0.42    -0.23     16
  31       H     0.16    -0.19     8.06     -52.49      -0.42    -0.62     16
  32       H     0.18    -0.29     8.06     -52.49      -0.42    -0.71     16
  33       H     0.18     0.87     7.40     -52.49      -0.39     0.48     16
  34       H     0.19     2.07     6.72     -52.49      -0.35     1.71     16
  35       H     0.17     2.97     7.66     -52.49      -0.40     2.57     16
  36       H     0.18     3.40     7.64     -52.49      -0.40     3.00     16
 Total:         -1.00   -42.75   342.30                 -3.28   -46.03