REAL300009700702.mol2 39                                                        
   1       C     0.08     1.25     8.92      59.85       0.53     1.78     16
   2       N    -0.62   -10.26     2.86    -182.95      -0.52   -10.78     16
   3       C     0.15     1.77     5.53      -5.20      -0.03     1.74     16
   4       C    -0.05    -0.44     5.46    -104.62      -0.57    -1.01     16
   5       C    -0.09    -0.51     9.70     -39.58      -0.38    -0.89     16
   6       C    -0.07    -0.33    10.05     -39.59      -0.40    -0.72     16
   7       C    -0.11    -0.93     8.62     -39.59      -0.34    -1.27     16
   8       C     0.37     4.63     4.82     -39.58      -0.19     4.44     16
   9       F    -0.02    -0.46    16.66       2.25       0.04    -0.42     16
  10       F    -0.25    -4.32    15.31       2.25       0.03    -4.28     16
  11       F    -0.20    -3.96    15.31       2.25       0.03    -3.92     16
  12       F    -0.20    -3.56    15.32       2.25       0.03    -3.53     16
  13       F    -0.12    -2.18    15.31       2.25       0.03    -2.15     16
  14       C    -0.09    -1.14     8.28     -39.58      -0.33    -1.47     16
  15       C     0.55    11.81     6.97     -10.99      -0.08    11.73     16
  16       O    -0.54   -12.36    14.76       5.55       0.08   -12.28     16
  17       C    -0.15    -3.58     1.94     -92.92      -0.18    -3.76     16
  18       C     0.52    15.05     4.75      36.01       0.17    15.22     16
  19       O    -0.68   -22.45    17.74     -20.22      -0.36   -22.80     16
  20       O    -0.69   -21.35    16.90     -20.23      -0.34   -21.69     16
  21       C    -0.10    -2.34     4.66     -90.62      -0.42    -2.77     16
  22       C    -0.19    -3.54    10.18     -26.70      -0.27    -3.81     16
  23       C    -0.17    -3.55     9.87     -26.70      -0.26    -3.82     16
  24       H     0.07     1.23     7.84     -51.93      -0.41     0.82     16
  25       H     0.09     1.58     5.65     -51.93      -0.29     1.28     16
  26       H     0.06     0.58     8.06     -51.93      -0.42     0.16     16
  27       H     0.10     1.36     7.37     -51.93      -0.38     0.97     16
  28       H     0.11     0.82     8.02     -51.93      -0.42     0.41     16
  29       H     0.16     0.41     8.05     -52.49      -0.42    -0.01     16
  30       H     0.17     0.12     8.06     -52.48      -0.42    -0.31     16
  31       H     0.18     1.30     7.40     -52.48      -0.39     0.91     16
  32       H     0.18     2.71     6.93     -52.48      -0.36     2.34     16
  33       H     0.09     1.97     7.14     -51.93      -0.37     1.60     16
  34       H     0.11     2.65     7.47     -51.93      -0.39     2.26     16
  35       H     0.09     1.50     8.14     -51.93      -0.42     1.08     16
  36       H     0.09     1.52     8.05     -51.93      -0.42     1.11     16
  37       H     0.09     2.03     8.14     -51.93      -0.42     1.61     16
  38       H     0.09     1.65     8.14     -51.93      -0.42     1.23     16
 Total:         -1.00   -41.32   344.37                 -4.49   -45.80