REAL300018534624.mol2 40                                                        
   1       C     0.02     0.23     8.90      60.06       0.53     0.77     16
   2       N    -0.52    -7.91     4.67    -245.83      -1.15    -9.06     16
   3       C     0.15     2.60     4.74      -4.98      -0.02     2.58     16
   4       C    -0.17    -3.47     5.11    -104.38      -0.53    -4.00     16
   5       C    -0.04    -0.73    11.10     -16.92      -0.19    -0.92     16
   6       N    -0.32    -5.96     3.71     -67.99      -0.25    -6.21     16
   7       C     0.10     1.18    11.32      59.85       0.68     1.85     16
   8       N    -0.28    -6.97    11.98      33.38       0.40    -6.57     16
   9       C     0.02     0.43     7.13     -82.83      -0.59    -0.16     16
  10       C     0.56    18.81     8.05      34.45       0.28    19.09     16
  11       O    -0.68   -25.69    18.00     -20.56      -0.37   -26.06     16
  12       O    -0.67   -22.18    16.36     -20.55      -0.34   -22.51     16
  13       C     0.09     1.11     5.10      -4.98      -0.03     1.08     16
  14       C    -0.01    -0.10     4.89    -104.63      -0.51    -0.61     16
  15       C    -0.10    -0.62     8.00     -39.58      -0.32    -0.94     16
  16       C    -0.07    -0.37    10.05     -39.58      -0.40    -0.77     16
  17       C    -0.11    -1.05     8.62     -39.58      -0.34    -1.39     16
  18       C     0.37     5.23     4.82     -39.58      -0.19     5.03     16
  19       F    -0.15    -3.65    16.66       2.25       0.04    -3.61     16
  20       F    -0.20    -3.85    15.31       2.25       0.03    -3.81     16
  21       F    -0.11    -2.54    15.31       2.25       0.03    -2.50     16
  22       F    -0.19    -3.79    15.32       2.25       0.03    -3.76     16
  23       F    -0.16    -3.42    15.31       2.25       0.03    -3.39     16
  24       C    -0.08    -1.18     8.28     -39.58      -0.33    -1.51     16
  25       H     0.07     0.92     7.23     -51.93      -0.38     0.55     16
  26       H     0.06     0.63     6.30     -51.93      -0.33     0.30     16
  27       H     0.02     0.18     8.12     -51.93      -0.42    -0.24     16
  28       H     0.03     0.39     8.00     -51.93      -0.42    -0.03     16
  29       H     0.10     1.86     6.98     -51.93      -0.36     1.50     16
  30       H     0.16     1.90     8.06     -52.49      -0.42     1.48     16
  31       H     0.07     0.74     8.14     -51.93      -0.42     0.32     16
  32       H     0.09     1.06     8.14     -51.93      -0.42     0.63     16
  33       H     0.08     0.68     8.13     -51.93      -0.42     0.26     16
  34       H     0.11     1.47     7.77     -51.93      -0.40     1.06     16
  35       H     0.06     0.45     8.05     -51.93      -0.42     0.03     16
  36       H     0.16     0.46     8.02     -52.49      -0.42     0.04     16
  37       H     0.17     0.19     8.06     -52.49      -0.42    -0.23     16
  38       H     0.18     1.45     7.40     -52.49      -0.39     1.06     16
  39       H     0.19     3.31     7.40     -52.49      -0.39     2.92     16
 Total:         -1.00   -48.21   354.53                 -4.18   -52.39