REAL300019801823.mol2 39                                                        
   1       C    -0.15    -2.86     9.46      37.16       0.35    -2.51     16
   2       C    -0.12    -2.21     4.52     -26.73      -0.12    -2.33     16
   3       C     0.30     5.85     0.42    -132.98      -0.06     5.80     16
   4       C    -0.12    -2.30     4.67     -26.73      -0.12    -2.43     16
   5       C    -0.15    -2.82     9.43      37.16       0.35    -2.46     16
   6       N    -0.69   -11.73     3.35     -49.66      -0.17   -11.89     16
   7       C     0.56     8.43     6.97     -12.39      -0.09     8.35     16
   8       O    -0.51    -8.57    11.59       5.31       0.06    -8.50     16
   9       C    -0.12    -1.42     5.88    -104.95      -0.62    -2.04     16
  10       C    -0.05    -0.60     9.24     -38.85      -0.36    -0.95     16
  11       C     0.29     3.22     9.79     -38.73      -0.38     2.85     16
  12       O    -0.67   -10.78    17.23     -57.73      -0.99   -11.78     16
  13       O    -0.63   -11.15    17.23     -57.73      -0.99   -12.15     16
  14       C    -0.06    -0.40     9.74     -39.19      -0.38    -0.79     16
  15       C    -0.12    -0.68    10.00     -39.62      -0.40    -1.07     16
  16       C     0.17     1.58     7.29     -38.81      -0.28     1.29     16
  17       F    -0.09    -0.97    15.54       2.25       0.03    -0.93     16
  18       C     0.05     1.16     6.11    -156.72      -0.96     0.21     16
  19       N    -0.37   -10.03    10.04      32.44       0.33    -9.71     16
  20       N    -0.19    -5.70    13.47      60.35       0.81    -4.89     16
  21       N    -0.19    -5.73    13.47      60.35       0.81    -4.92     16
  22       N    -0.37    -9.97     9.55      32.44       0.31    -9.66     16
  23       H     0.09     1.97     5.50     -51.93      -0.29     1.69     16
  24       H     0.04     0.71     8.14     -51.93      -0.42     0.29     16
  25       H     0.03     0.61     7.60     -51.93      -0.39     0.21     16
  26       H     0.07     1.42     8.14     -51.93      -0.42     1.00     16
  27       H     0.08     1.36     6.16     -51.93      -0.32     1.04     16
  28       H     0.08     1.41     6.32     -51.93      -0.33     1.08     16
  29       H     0.07     1.28     8.14     -51.93      -0.42     0.86     16
  30       H     0.04     0.66     8.14     -51.93      -0.42     0.24     16
  31       H     0.09     1.91     5.69     -51.93      -0.30     1.61     16
  32       H     0.04     0.73     7.29     -51.93      -0.38     0.35     16
  33       H     0.40     6.87     6.49     -40.82      -0.26     6.60     16
  34       H     0.18     2.28     6.10     -52.49      -0.32     1.96     16
  35       H     0.33     4.48     8.90      45.56       0.41     4.88     16
  36       H     0.34     4.94     8.90      45.56       0.41     5.35     16
  37       H     0.18     1.03     7.76     -52.49      -0.41     0.62     16
  38       H     0.18     0.32     8.06     -52.49      -0.42    -0.10     16
 Total:         -1.00   -35.69   322.35                 -2.30   -37.99