REAL300018471101.mol2 39                                                        
   1       O    -0.66   -15.74    16.57     -20.22      -0.34   -16.07     16
   2       C     0.49     9.93     8.07      36.01       0.29    10.22     16
   3       O    -0.67   -16.35    18.00     -20.23      -0.36   -16.71     16
   4       C     0.03     0.30     7.02      -5.19      -0.04     0.26     16
   5       N    -0.24    -1.86     3.20     -62.44      -0.20    -2.06     16
   6       C    -0.05    -0.04    11.49     -17.04      -0.20    -0.23     16
   7       C    -0.07     0.19     6.50     -82.78      -0.54    -0.35     16
   8       C    -0.04     0.53     6.02     -27.88      -0.17     0.36     16
   9       C    -0.01     0.11     5.35      -3.82      -0.02     0.09     16
  10       N    -0.51    13.13     1.74    -115.06      -0.20    12.93     16
  11       H     0.43   -11.72     8.66     -39.29      -0.34   -12.06     16
  12       H     0.43   -11.95     8.67     -39.29      -0.34   -12.29     16
  13       C     0.05    -1.16     5.50      -4.98      -0.03    -1.18     16
  14       C    -0.16     3.23     5.36    -104.52      -0.56     2.67     16
  15       C    -0.05     0.90     9.68     -39.63      -0.38     0.51     16
  16       C    -0.11     1.30     9.75     -39.25      -0.38     0.91     16
  17       C     0.32    -2.80     9.80     -38.73      -0.38    -3.18     16
  18       O    -0.64    -0.57    17.25     -57.73      -1.00    -1.57     16
  19       O    -0.64    -0.61    17.25     -57.73      -1.00    -1.61     16
  20       C    -0.11     1.32     9.75     -39.25      -0.38     0.94     16
  21       C    -0.05     0.94     9.68     -39.63      -0.38     0.55     16
  22       N    -0.29    -1.08    12.40      33.29       0.41    -0.66     16
  23       N    -0.02    -0.24    12.12      60.35       0.73     0.49     16
  24       H     0.11     0.93     8.14     -51.93      -0.42     0.50     16
  25       H     0.11     0.74     8.07     -51.93      -0.42     0.32     16
  26       H     0.18    -0.67     8.06     -52.49      -0.42    -1.09     16
  27       H     0.10    -1.39     8.14     -51.93      -0.42    -1.81     16
  28       H     0.10    -1.62     8.12     -51.93      -0.42    -2.04     16
  29       H     0.13    -2.69     8.14     -51.93      -0.42    -3.12     16
  30       H     0.14    -2.60     8.14     -51.93      -0.42    -3.03     16
  31       H     0.15    -3.72     8.08     -51.93      -0.42    -4.14     16
  32       H     0.15    -3.69     8.08     -51.93      -0.42    -4.11     16
  33       H     0.17    -3.51     8.06     -52.49      -0.42    -3.94     16
  34       H     0.18    -1.92     7.77     -52.49      -0.41    -2.33     16
  35       H     0.35    -0.38     8.90      45.56       0.41     0.02     16
  36       H     0.35    -0.37     8.90      45.56       0.41     0.04     16
  37       H     0.18    -1.96     7.77     -52.49      -0.41    -2.37     16
  38       H     0.17    -3.59     8.06     -52.49      -0.42    -4.01     16
 Total:          0.00   -58.69   342.28                 -5.28   -63.98