REAL300018556932.mol2 44                                                        
   1       C     0.02     0.05     9.81     101.05       0.99     1.04     16
   2       O    -0.26    -2.49     8.56     -40.40      -0.35    -2.84     16
   3       C     0.19     1.29     6.70     -38.63      -0.26     1.03     16
   4       C    -0.22     0.08     9.03     -39.48      -0.36    -0.28     16
   5       C    -0.09     0.56     9.29     -39.52      -0.37     0.19     16
   6       C    -0.21     1.44     4.84    -104.68      -0.51     0.93     16
   7       C     0.09    -1.39     2.63     -68.87      -0.18    -1.57     16
   8       H     0.15    -2.32     7.94     -51.93      -0.41    -2.73     16
   9       C    -0.18     2.57     8.95      37.16       0.33     2.91     16
  10       N    -0.51    10.52     1.35    -109.22      -0.15    10.37     16
  11       H     0.42    -9.42     7.07     -39.29      -0.28    -9.70     16
  12       H     0.43    -9.34     8.59     -39.29      -0.34    -9.67     16
  13       C     0.04    -0.89     5.22      -4.98      -0.03    -0.92     16
  14       C    -0.16     2.80     5.36    -104.53      -0.56     2.24     16
  15       C    -0.05     0.86     9.68     -39.63      -0.38     0.47     16
  16       C    -0.11     1.16     9.75     -39.25      -0.38     0.77     16
  17       C     0.32    -2.33     9.80     -38.73      -0.38    -2.71     16
  18       O    -0.64    -1.27    17.25     -57.73      -1.00    -2.27     16
  19       O    -0.64    -1.35    17.25     -57.73      -1.00    -2.35     16
  20       C    -0.11     1.11     9.75     -39.25      -0.38     0.73     16
  21       C    -0.05     0.80     9.68     -39.63      -0.38     0.41     16
  22       C    -0.02    -0.03     9.20     -39.16      -0.36    -0.39     16
  23       C    -0.15    -1.50     5.88    -104.88      -0.62    -2.12     16
  24       C     0.52    10.02     8.00      34.35       0.27    10.30     16
  25       O    -0.69   -15.11    17.24     -20.58      -0.35   -15.46     16
  26       O    -0.65   -15.47    16.06     -27.57      -0.44   -15.91     16
  27       H     0.05     0.03     7.66     -51.92      -0.40    -0.37     16
  28       H     0.05     0.01     7.66     -51.93      -0.40    -0.39     16
  29       H     0.10     0.23     8.14     -51.93      -0.42    -0.19     16
  30       H     0.13    -0.31     6.30     -52.49      -0.33    -0.65     16
  31       H     0.11    -1.36     6.73     -52.49      -0.35    -1.72     16
  32       H     0.08    -1.18     8.14     -51.92      -0.42    -1.61     16
  33       H     0.11    -1.18     8.14     -51.93      -0.42    -1.61     16
  34       H     0.08    -1.36     6.40     -51.93      -0.33    -1.70     16
  35       H     0.15    -3.36     8.06     -51.93      -0.42    -3.78     16
  36       H     0.15    -3.37     6.23     -51.93      -0.32    -3.69     16
  37       H     0.17    -3.27     8.06     -52.49      -0.42    -3.70     16
  38       H     0.18    -1.73     7.77     -52.49      -0.41    -2.14     16
  39       H     0.34    -0.03     8.90      45.56       0.41     0.38     16
  40       H     0.35     0.00     8.90      45.56       0.41     0.41     16
  41       H     0.18    -1.64     7.77     -52.48      -0.41    -2.05     16
  42       H     0.17    -3.15     8.06     -52.49      -0.42    -3.58     16
  43       H     0.14     0.31     7.62     -52.48      -0.40    -0.09     16
 Total:          0.00   -51.05   365.42                 -7.42   -58.47