REAL300005947765.mol2 42                                                        
   1       C     0.08     0.34     9.01      59.85       0.54     0.88     16
   2       N    -0.62    -5.00     2.86    -182.95      -0.52    -5.52     16
   3       C     0.15     0.82     5.53      -5.20      -0.03     0.79     16
   4       C    -0.05    -0.25     5.46    -104.62      -0.57    -0.82     16
   5       C    -0.09    -0.11     9.70     -39.58      -0.38    -0.49     16
   6       C    -0.07    -0.08    10.05     -39.59      -0.40    -0.47     16
   7       C    -0.11    -0.58     8.62     -39.59      -0.34    -0.92     16
   8       C     0.38     3.73     4.82     -39.58      -0.19     3.54     16
   9       F    -0.13    -2.78    16.66       2.25       0.04    -2.74     16
  10       F    -0.19    -3.01    15.31       2.25       0.03    -2.97     16
  11       F    -0.14    -2.59    15.31       2.25       0.03    -2.55     16
  12       F    -0.18    -3.09    15.32       2.25       0.03    -3.05     16
  13       F    -0.17    -2.92    15.31       2.25       0.03    -2.88     16
  14       C    -0.09    -0.85     8.28     -39.58      -0.33    -1.17     16
  15       C     0.52     7.23     6.92     -10.99      -0.08     7.15     16
  16       O    -0.52    -9.27    14.85       5.55       0.08    -9.19     16
  17       C    -0.11    -1.74     2.32     -90.11      -0.21    -1.95     16
  18       H     0.10     1.22     7.40     -51.93      -0.38     0.83     16
  19       C    -0.11    -1.55     5.12     -25.61      -0.13    -1.69     16
  20       C    -0.11    -2.20     6.17     -25.61      -0.16    -2.36     16
  21       C    -0.16    -3.97     3.32     -90.05      -0.30    -4.27     16
  22       H     0.06     1.52     8.14     -51.93      -0.42     1.10     16
  23       C     0.50    16.70     7.38      36.01       0.27    16.96     16
  24       O    -0.70   -25.09    16.33     -20.23      -0.33   -25.42     16
  25       O    -0.70   -26.07    17.96     -20.22      -0.36   -26.43     16
  26       C    -0.08    -1.66     5.34     -24.68      -0.13    -1.79     16
  27       H     0.06     0.26     7.93     -51.93      -0.41    -0.15     16
  28       H     0.08     0.41     5.95     -51.93      -0.31     0.10     16
  29       H     0.07     0.07     8.06     -51.93      -0.42    -0.35     16
  30       H     0.11     0.79     7.37     -51.93      -0.38     0.41     16
  31       H     0.11     0.14     8.02     -51.93      -0.42    -0.27     16
  32       H     0.16    -0.39     8.05     -52.49      -0.42    -0.81     16
  33       H     0.18    -0.47     8.06     -52.48      -0.42    -0.89     16
  34       H     0.18     0.84     7.40     -52.48      -0.39     0.45     16
  35       H     0.19     2.23     6.93     -52.48      -0.36     1.87     16
  36       H     0.06     0.66     7.14     -51.93      -0.37     0.29     16
  37       H     0.06     0.86     7.83     -51.93      -0.41     0.45     16
  38       H     0.05     0.98     8.14     -51.93      -0.42     0.55     16
  39       H     0.08     1.97     6.87     -51.93      -0.36     1.61     16
  40       H     0.07     1.87     7.40     -51.93      -0.38     1.49     16
  41       H     0.06     1.46     8.14     -51.93      -0.42     1.04     16
 Total:         -1.00   -49.53   356.76                 -4.73   -54.26