REAL300010106949.mol2 31                                                        
   1       C    -0.06     0.54     8.28      60.07       0.50     1.04     16
   2       N    -0.36     3.96     0.38    -245.83      -0.09     3.87     16
   3       H     0.43    -4.95     7.96     -39.29      -0.31    -5.27     16
   4       C    -0.08     0.48     5.22      -4.98      -0.03     0.45     16
   5       C     0.49     2.89     7.69      36.00       0.28     3.17     16
   6       O    -0.67    -5.58    14.78     -20.23      -0.30    -5.87     16
   7       O    -0.64    -8.35    18.00     -20.23      -0.36    -8.72     16
   8       C     0.04    -0.58     4.81      -4.98      -0.02    -0.60     16
   9       C    -0.10     1.32     4.72    -104.62      -0.49     0.83     16
  10       C    -0.08     1.04     9.70     -39.58      -0.38     0.66     16
  11       C    -0.06     0.74    10.05     -39.58      -0.40     0.34     16
  12       C    -0.09     0.70     8.62     -39.58      -0.34     0.36     16
  13       C     0.35    -1.94     4.82     -39.59      -0.19    -2.13     16
  14       F     0.03     0.14    16.66       2.25       0.04     0.17     16
  15       F    -0.16    -0.42    15.31       2.25       0.03    -0.39     16
  16       F    -0.12    -0.16    15.31       2.25       0.03    -0.12     16
  17       F    -0.22    -0.60    15.32       2.25       0.03    -0.57     16
  18       F    -0.24    -0.60    15.31       2.25       0.03    -0.57     16
  19       C    -0.09     0.86     6.41     -39.58      -0.25     0.61     16
  20       H     0.10    -1.12     5.94     -51.93      -0.31    -1.42     16
  21       H     0.16    -0.62     5.65     -51.93      -0.29    -0.91     16
  22       H     0.11    -1.19     8.08     -51.93      -0.42    -1.61     16
  23       H     0.13    -1.02     8.02     -51.93      -0.42    -1.44     16
  24       H     0.13    -0.90     8.09     -51.93      -0.42    -1.32     16
  25       H     0.14    -2.27     8.03     -51.93      -0.42    -2.68     16
  26       H     0.15    -2.59     7.97     -51.93      -0.41    -3.01     16
  27       H     0.17    -2.84     8.06     -52.49      -0.42    -3.26     16
  28       H     0.18    -2.63     8.06     -52.49      -0.42    -3.05     16
  29       H     0.18    -1.43     7.40     -52.49      -0.39    -1.82     16
  30       H     0.18    -1.77     7.30     -52.49      -0.38    -2.15     16
 Total:          0.00   -28.86   271.95                 -2.44   -31.30