REAL300014426679.mol2 31                                                        
   1       O    -0.70   -23.61    17.88     -20.23      -0.36   -23.97     16
   2       C     0.50    15.16     7.47      36.00       0.27    15.42     16
   3       O    -0.69   -23.36    17.42     -20.23      -0.35   -23.72     16
   4       C    -0.17    -3.67     4.23     -90.96      -0.38    -4.06     16
   5       C    -0.11    -1.88     7.29     -25.92      -0.19    -2.06     16
   6       C     0.11     1.28     4.05     -67.12      -0.27     1.00     16
   7       N    -0.70    -6.89     5.53     -51.38      -0.28    -7.17     16
   8       C     0.29     2.35     6.65     -83.78      -0.56     1.79     16
   9       C    -0.19    -1.10     9.26     -39.38      -0.36    -1.46     16
  10       C    -0.01    -0.04    10.04     -39.62      -0.40    -0.44     16
  11       C    -0.19    -1.33     8.62     -39.55      -0.34    -1.67     16
  12       C     0.43     4.62     4.82     -39.61      -0.19     4.43     16
  13       F    -0.15    -3.00    16.66       2.25       0.04    -2.96     16
  14       F    -0.17    -2.78    15.30       2.25       0.03    -2.74     16
  15       F    -0.17    -2.92    15.30       2.25       0.03    -2.88     16
  16       F    -0.17    -2.82    15.31       2.25       0.03    -2.79     16
  17       F    -0.16    -2.85    15.31       2.25       0.03    -2.81     16
  18       C    -0.22    -2.04     8.47     -39.38      -0.33    -2.37     16
  19       C    -0.12    -2.03     7.10     -25.92      -0.18    -2.22     16
  20       H     0.09     1.67     8.14     -51.92      -0.42     1.25     16
  21       H     0.07     1.04     8.14     -51.93      -0.42     0.62     16
  22       H     0.08     1.49     8.07     -51.93      -0.42     1.07     16
  23       H     0.11     0.96     6.13     -51.93      -0.32     0.64     16
  24       H     0.41     3.93     8.74     -40.82      -0.36     3.57     16
  25       H     0.16     0.71     6.05     -52.48      -0.32     0.40     16
  26       H     0.18     0.08     8.06     -52.49      -0.42    -0.35     16
  27       H     0.18     1.11     7.39     -52.49      -0.39     0.72     16
  28       H     0.18     1.70     7.39     -52.49      -0.39     1.31     16
  29       H     0.09     1.68     7.98     -51.93      -0.41     1.26     16
  30       H     0.06     0.96     8.14     -51.93      -0.42     0.54     16
 Total:         -1.00   -41.58   280.94                 -3.83   -45.41