REAL300009700701.mol2 44                                                        
   1       C     0.08     1.21     8.92      59.85       0.53     1.75     16
   2       N    -0.62    -9.77     2.86    -182.95      -0.52   -10.29     16
   3       C     0.15     1.65     5.53      -5.20      -0.03     1.62     16
   4       C    -0.04    -0.38     5.46    -104.62      -0.57    -0.95     16
   5       C    -0.09    -0.45     9.70     -39.58      -0.38    -0.83     16
   6       C    -0.07    -0.26    10.05     -39.59      -0.40    -0.66     16
   7       C    -0.11    -0.84     8.62     -39.59      -0.34    -1.18     16
   8       C     0.37     4.43     4.82     -39.58      -0.19     4.24     16
   9       F    -0.14    -3.10    16.66       2.25       0.04    -3.06     16
  10       F    -0.19    -3.20    15.31       2.25       0.03    -3.16     16
  11       F    -0.14    -2.70    15.31       2.25       0.03    -2.67     16
  12       F    -0.18    -3.26    15.32       2.25       0.03    -3.22     16
  13       F    -0.16    -3.05    15.31       2.25       0.03    -3.01     16
  14       C    -0.09    -1.09     8.28     -39.58      -0.33    -1.42     16
  15       C     0.55    11.11     6.38     -10.99      -0.07    11.04     16
  16       O    -0.54   -11.21    10.46       5.55       0.06   -11.15     16
  17       C    -0.17    -3.88     1.21     -92.92      -0.11    -3.99     16
  18       C     0.51    14.41     3.80      36.01       0.14    14.55     16
  19       O    -0.67   -20.99    14.85     -20.22      -0.30   -21.29     16
  20       O    -0.69   -20.97    16.90     -20.23      -0.34   -21.31     16
  21       C    -0.03    -0.69     0.54    -154.51      -0.08    -0.77     16
  22       C    -0.15    -2.92     8.17      37.16       0.30    -2.62     16
  23       C    -0.14    -2.80     8.23      37.16       0.31    -2.49     16
  24       C    -0.16    -3.56     7.67      37.15       0.28    -3.27     16
  25       H     0.07     1.20     7.84     -51.93      -0.41     0.79     16
  26       H     0.09     1.56     5.65     -51.93      -0.29     1.26     16
  27       H     0.06     0.55     8.06     -51.93      -0.42     0.13     16
  28       H     0.11     1.29     7.37     -51.93      -0.38     0.90     16
  29       H     0.11     0.77     8.02     -51.93      -0.42     0.35     16
  30       H     0.17     0.31     8.05     -52.49      -0.42    -0.11     16
  31       H     0.18    -0.02     8.06     -52.48      -0.42    -0.44     16
  32       H     0.18     1.16     7.40     -52.48      -0.39     0.77     16
  33       H     0.19     2.64     6.93     -52.48      -0.36     2.27     16
  34       H     0.08     1.84     7.38     -51.93      -0.38     1.45     16
  35       H     0.04     0.67     8.14     -51.93      -0.42     0.25     16
  36       H     0.04     0.81     8.14     -51.93      -0.42     0.39     16
  37       H     0.08     1.61     5.51     -51.93      -0.29     1.33     16
  38       H     0.06     1.42     7.22     -51.93      -0.37     1.04     16
  39       H     0.05     0.86     8.14     -51.93      -0.42     0.44     16
  40       H     0.05     0.89     8.14     -51.93      -0.42     0.47     16
  41       H     0.07     1.68     5.51     -51.93      -0.29     1.39     16
  42       H     0.03     0.55     8.14     -51.93      -0.42     0.12     16
  43       H     0.09     2.29     5.50     -51.93      -0.29     2.01     16
 Total:         -1.00   -40.22   359.56                 -3.70   -43.92