REAL300000674701.mol2 44                                                        
   1       C    -0.14    -2.19     7.38      37.16       0.27    -1.91     16
   2       C    -0.10    -1.50     2.40     -90.62      -0.22    -1.72     16
   3       C    -0.14    -1.98     9.18      37.16       0.34    -1.64     16
   4       C    -0.10    -1.86     3.34     -26.73      -0.09    -1.95     16
   5       C    -0.04    -0.77     0.42    -155.66      -0.07    -0.83     16
   6       C    -0.15    -1.75     6.88      37.16       0.26    -1.50     16
   7       C    -0.18    -3.85     4.76     -27.88      -0.13    -3.98     16
   8       C     0.48    14.49     7.49      36.00       0.27    14.76     16
   9       O    -0.67   -21.47    12.73     -26.82      -0.34   -21.82     16
  10       O    -0.70   -24.47    18.00     -20.22      -0.36   -24.84     16
  11       C     0.53     9.49     3.20     -10.98      -0.04     9.46     16
  12       O    -0.46    -9.91     8.62     -14.98      -0.13   -10.04     16
  13       N    -0.68    -8.64     5.14      -9.87      -0.05    -8.69     16
  14       C     0.23     2.61     6.30     -83.70      -0.53     2.09     16
  15       C    -0.14    -0.83     9.97     -39.39      -0.39    -1.23     16
  16       C    -0.04    -0.22    10.04     -39.61      -0.40    -0.62     16
  17       C    -0.14    -1.25     8.62     -39.55      -0.34    -1.59     16
  18       C     0.39     5.79     4.82     -39.61      -0.19     5.60     16
  19       F    -0.16    -3.77    16.66       2.25       0.04    -3.73     16
  20       F    -0.19    -3.83    15.30       2.25       0.03    -3.80     16
  21       F    -0.14    -3.17    15.30       2.25       0.03    -3.14     16
  22       F    -0.19    -3.72    15.31       2.25       0.03    -3.68     16
  23       F    -0.13    -2.95    15.31       2.25       0.03    -2.92     16
  24       C    -0.13    -2.12     7.28     -39.39      -0.29    -2.40     16
  25       H     0.04     0.60     5.10     -51.93      -0.26     0.33     16
  26       H     0.08     1.44     6.56     -51.93      -0.34     1.10     16
  27       H     0.04     0.50     8.12     -51.93      -0.42     0.08     16
  28       H     0.06     0.80     6.10     -51.93      -0.32     0.49     16
  29       H     0.06     0.86     8.14     -51.93      -0.42     0.44     16
  30       H     0.05     0.66     8.14     -51.93      -0.42     0.23     16
  31       H     0.05     0.56     8.14     -51.93      -0.42     0.14     16
  32       H     0.06     1.08     8.00     -51.93      -0.42     0.67     16
  33       H     0.12     2.77     5.35     -51.93      -0.28     2.50     16
  34       H     0.07     0.76     8.11     -51.93      -0.42     0.34     16
  35       H     0.05     0.47     7.32     -51.93      -0.38     0.09     16
  36       H     0.06     0.67     5.67     -51.93      -0.29     0.37     16
  37       H     0.06     1.10     8.14     -51.93      -0.42     0.67     16
  38       H     0.07     1.48     8.13     -51.93      -0.42     1.06     16
  39       H     0.42     3.85     7.83     -40.82      -0.32     3.53     16
  40       H     0.16     0.34     8.06     -52.49      -0.42    -0.08     16
  41       H     0.18     0.06     8.06     -52.49      -0.42    -0.36     16
  42       H     0.18     1.41     7.39     -52.49      -0.39     1.02     16
  43       H     0.20     4.22     5.53     -52.48      -0.29     3.93     16
 Total:         -1.00   -44.23   352.35                 -4.03   -48.26