REAL300018457576.mol2 43                                                        
   1       O    -0.68   -17.62    17.21     -20.58      -0.35   -17.97     16
   2       C     0.52    12.05     7.99      34.39       0.27    12.32     16
   3       O    -0.67   -17.65    17.21     -20.58      -0.35   -18.00     16
   4       C    -0.08    -1.31     5.87    -104.98      -0.62    -1.93     16
   5       C    -0.09    -1.04     9.52     -39.52      -0.38    -1.41     16
   6       C    -0.09    -0.56    10.03     -39.74      -0.40    -0.96     16
   7       C    -0.15    -0.63     6.40    -105.05      -0.67    -1.30     16
   8       C    -0.16     0.51    11.00     -37.65      -0.41     0.10     16
   9       C    -0.03     0.17     6.49     -35.72      -0.23    -0.06     16
  10       C    -0.06     0.93     5.95     -27.88      -0.17     0.77     16
  11       C    -0.01     0.23     5.35      -3.83      -0.02     0.21     16
  12       N    -0.51    14.21     1.74    -115.06      -0.20    14.01     16
  13       H     0.43   -12.67     8.66     -39.29      -0.34   -13.01     16
  14       H     0.43   -12.89     8.67     -39.29      -0.34   -13.23     16
  15       C     0.05    -1.23     5.50      -4.97      -0.03    -1.26     16
  16       C    -0.16     3.48     5.36    -104.52      -0.56     2.92     16
  17       C    -0.05     0.96     9.68     -39.63      -0.38     0.57     16
  18       C    -0.11     1.39     9.75     -39.25      -0.38     1.01     16
  19       C     0.32    -3.07     9.80     -38.73      -0.38    -3.45     16
  20       O    -0.64    -0.10    17.25     -57.73      -1.00    -1.10     16
  21       O    -0.63    -0.15    17.25     -57.73      -1.00    -1.15     16
  22       C    -0.11     1.42     9.75     -39.25      -0.38     1.03     16
  23       C    -0.05     0.99     9.68     -39.63      -0.38     0.60     16
  24       O    -0.19    -0.08    10.58       4.05       0.04    -0.04     16
  25       C     0.05     0.33     7.40     -38.55      -0.29     0.04     16
  26       C    -0.08    -0.95     9.61     -39.02      -0.37    -1.32     16
  27       H     0.14     1.71     7.62     -52.49      -0.40     1.31     16
  28       H     0.12     0.37     8.06     -52.49      -0.42    -0.06     16
  29       H     0.15    -1.07     8.06     -52.49      -0.42    -1.49     16
  30       H     0.11    -1.85     8.14     -51.93      -0.42    -2.27     16
  31       H     0.11    -2.17     8.14     -51.93      -0.42    -2.59     16
  32       H     0.14    -3.23     8.14     -51.93      -0.42    -3.65     16
  33       H     0.14    -3.05     8.14     -51.93      -0.42    -3.47     16
  34       H     0.15    -4.00     8.08     -51.93      -0.42    -4.42     16
  35       H     0.15    -3.94     8.08     -51.93      -0.42    -4.36     16
  36       H     0.17    -3.69     8.06     -52.49      -0.42    -4.11     16
  37       H     0.18    -2.07     7.77     -52.49      -0.41    -2.48     16
  38       H     0.35    -0.63     8.90      45.56       0.41    -0.22     16
  39       H     0.35    -0.61     8.90      45.56       0.41    -0.21     16
  40       H     0.18    -2.11     7.77     -52.49      -0.41    -2.52     16
  41       H     0.17    -3.77     8.06     -52.49      -0.42    -4.20     16
  42       H     0.14     1.69     7.62     -52.49      -0.40     1.29     16
 Total:          0.00   -61.71   373.25                 -8.72   -70.43