REAL300018471102.mol2 39                                                        
   1       O    -0.66   -15.92    16.57     -20.23      -0.34   -16.25     16
   2       C     0.49    10.07     8.07      36.01       0.29    10.36     16
   3       O    -0.67   -16.53    18.00     -20.23      -0.36   -16.89     16
   4       C     0.03     0.31     7.02      -5.19      -0.04     0.27     16
   5       N    -0.24    -1.95     3.20     -62.44      -0.20    -2.15     16
   6       C    -0.05    -0.06    11.49     -17.05      -0.20    -0.26     16
   7       C    -0.07     0.15     6.50     -82.77      -0.54    -0.38     16
   8       C    -0.04     0.50     6.02     -27.88      -0.17     0.34     16
   9       C    -0.01     0.11     5.35      -3.83      -0.02     0.09     16
  10       N    -0.51    12.68     1.74    -115.06      -0.20    12.48     16
  11       H     0.43   -11.55     8.67     -39.30      -0.34   -11.89     16
  12       H     0.43   -11.34     8.66     -39.29      -0.34   -11.68     16
  13       C     0.05    -1.14     5.50      -4.98      -0.03    -1.17     16
  14       C    -0.13     2.42     5.35    -104.67      -0.56     1.86     16
  15       C    -0.08     1.57     9.70     -39.48      -0.38     1.18     16
  16       C    -0.07     1.09    10.03     -39.63      -0.40     0.69     16
  17       C    -0.08     0.91     9.75     -39.25      -0.38     0.53     16
  18       C     0.30    -2.80     9.80     -38.73      -0.38    -3.18     16
  19       O    -0.65     0.23    17.25     -57.73      -1.00    -0.76     16
  20       O    -0.63    -0.32    17.25     -57.73      -1.00    -1.32     16
  21       C    -0.09     1.31     9.40     -39.25      -0.37     0.94     16
  22       N    -0.29    -1.17    12.40      33.29       0.41    -0.76     16
  23       N    -0.03    -0.25    12.13      60.35       0.73     0.48     16
  24       H     0.11     0.97     8.14     -51.93      -0.42     0.54     16
  25       H     0.11     0.79     8.07     -51.93      -0.42     0.37     16
  26       H     0.18    -0.56     8.06     -52.49      -0.42    -0.98     16
  27       H     0.10    -1.36     8.14     -51.93      -0.42    -1.78     16
  28       H     0.10    -1.54     8.12     -51.93      -0.42    -1.96     16
  29       H     0.14    -2.57     8.14     -51.92      -0.42    -2.99     16
  30       H     0.14    -2.56     8.14     -51.93      -0.42    -2.98     16
  31       H     0.15    -3.50     8.08     -51.93      -0.42    -3.92     16
  32       H     0.15    -3.77     8.08     -51.93      -0.42    -4.19     16
  33       H     0.16    -3.50     8.06     -52.49      -0.42    -3.93     16
  34       H     0.18    -2.96     8.06     -52.48      -0.42    -3.39     16
  35       H     0.18    -1.81     7.77     -52.49      -0.41    -2.22     16
  36       H     0.35    -0.66     8.90      45.56       0.41    -0.25     16
  37       H     0.35    -0.54     8.90      45.56       0.41    -0.13     16
  38       H     0.18    -2.62     7.77     -52.49      -0.41    -3.03     16
 Total:          0.00   -57.87   342.29                 -5.28   -63.15