COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.293  -2.680   1.888  1.00  0.00           C  
HETATM    2  N   UNL     1       1.209   1.227  -0.058  1.00  0.00           N  
HETATM    3  C   UNL     1       3.900  -1.667  -1.780  1.00  0.00           C  
HETATM    4  C   UNL     1       2.912  -0.528  -1.508  1.00  0.00           C  
HETATM    5  C   UNL     1       2.544  -1.284   0.767  1.00  0.00           C  
HETATM    6  C   UNL     1       3.517  -2.454   0.589  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.024   1.817  -0.077  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.857   0.277  -0.574  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.203  -1.875  -1.444  1.00  0.00           C  
HETATM   10  C   UNL     1       0.793   7.768   0.003  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.773  -1.807  -0.904  1.00  0.00           C  
HETATM   12  C   UNL     1       0.912  -0.030  -0.373  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.428  -0.386  -0.551  1.00  0.00           C  
HETATM   14  C   UNL     1       0.250   2.127   0.086  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.488   4.334   0.553  1.00  0.00           C  
HETATM   16  C   UNL     1       0.079   5.708   0.917  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.394   0.580  -0.395  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.092  -1.169  -0.508  1.00  0.00           N  
HETATM   19  O   UNL     1       0.584   3.399   0.409  1.00  0.00           O  
HETATM   20  N   UNL     1       1.916  -0.973  -0.524  1.00  0.00           N  
HETATM   21  N   UNL     1       4.455  -2.121  -0.495  1.00  0.00           N  
HETATM   22  N   UNL     1       0.779   6.311  -0.246  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.400   8.081   0.925  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.065   6.713   1.202  1.00  0.00           C  
HETATM   25  C   UNL     1       2.145   5.784  -0.370  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.427  -1.470  -0.764  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.981  -1.185  -1.994  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.315  -1.482  -2.260  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.108  -2.061  -1.317  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.582  -2.368  -0.051  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.225  -2.076   0.231  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.377  -2.967   0.942  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.836  -3.252   2.158  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.502  -2.959   2.435  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.699  -2.389   1.494  1.00  0.00           C  
HETATM   36  C   UNL     1       5.786  -2.230  -0.316  1.00  0.00           C  
HETATM   37  O   UNL     1       6.223  -2.689   0.718  1.00  0.00           O  
HETATM   38  C   UNL     1       6.731  -1.780  -1.400  1.00  0.00           C  
HETATM   39  C   UNL     1       8.174  -2.010  -0.946  1.00  0.00           C  
HETATM   40  C   UNL     1       4.902  -4.020   1.869  1.00  0.00           C  
HETATM   41  N   UNL     1       5.372  -5.054   1.855  1.00  0.00           N  
HETATM   42  H   UNL     1       5.076  -1.926   1.980  1.00  0.00           H  
HETATM   43  H   UNL     1       3.613  -2.602   2.736  1.00  0.00           H  
HETATM   44  H   UNL     1       3.382  -2.493  -2.267  1.00  0.00           H  
HETATM   45  H   UNL     1       4.707  -1.311  -2.421  1.00  0.00           H  
HETATM   46  H   UNL     1       3.451   0.335  -1.116  1.00  0.00           H  
HETATM   47  H   UNL     1       2.410  -0.253  -2.436  1.00  0.00           H  
HETATM   48  H   UNL     1       1.775  -1.557   1.489  1.00  0.00           H  
HETATM   49  H   UNL     1       3.088  -0.410   1.127  1.00  0.00           H  
HETATM   50  H   UNL     1       2.962  -3.356   0.332  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.426   0.771   0.214  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.186   0.650  -1.544  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.247  -1.397  -2.423  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.513  -2.917  -1.529  1.00  0.00           H  
HETATM   55  H   UNL     1       1.725   8.052   0.493  1.00  0.00           H  
HETATM   56  H   UNL     1       0.688   8.310  -0.937  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.692  -2.431  -0.014  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.081  -2.170  -1.664  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.160   3.997   1.343  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.037   4.404  -0.386  1.00  0.00           H  
HETATM   61  H   UNL     1       0.748   5.632   1.774  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.052   8.528   1.856  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.102   8.747   0.423  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.903   6.547   0.525  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.388   6.645   2.241  1.00  0.00           H  
HETATM   66  H   UNL     1       2.692   5.973   0.553  1.00  0.00           H  
HETATM   67  H   UNL     1       2.105   4.711  -0.555  1.00  0.00           H  
HETATM   68  H   UNL     1       2.651   6.278  -1.200  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.374  -0.725  -2.760  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.727  -1.249  -3.231  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.141  -2.283  -1.542  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.413  -3.199   0.742  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.449  -3.711   2.919  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.096  -3.195   3.408  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.667  -2.168   1.723  1.00  0.00           H  
HETATM   76  H   UNL     1       6.541  -2.351  -2.308  1.00  0.00           H  
HETATM   77  H   UNL     1       6.578  -0.719  -1.598  1.00  0.00           H  
HETATM   78  H   UNL     1       8.858  -1.684  -1.730  1.00  0.00           H  
HETATM   79  H   UNL     1       8.365  -1.439  -0.037  1.00  0.00           H  
HETATM   80  H   UNL     1       8.328  -3.071  -0.747  1.00  0.00           H  
CONECT    1    6   40   42   43                                       
CONECT    2   12   12   14                                            
CONECT    3    4   21   44   45                                       
CONECT    4   20    3   46   47                                       
CONECT    5   20    6   48   49                                       
CONECT    6    5   21    1   50                                       
CONECT    7   17   14   14                                            
CONECT    8   18   17   51   52                                       
CONECT    9   18   11   53   54                                       
CONECT   10   22   23   55   56                                       
CONECT   11    9   13   57   58                                       
CONECT   12   13   20    2    2                                       
CONECT   13   11   17   17   12                                       
CONECT   14    7    7    2   19                                       
CONECT   15   19   16   59   60                                       
CONECT   16   22   15   24   61                                       
CONECT   17    8   13   13    7                                       
CONECT   18    9   26    8                                            
CONECT   19   14   15                                                 
CONECT   20   12    4    5                                            
CONECT   21    3    6   36                                            
CONECT   22   25   10   16                                            
CONECT   23   10   24   62   63                                       
CONECT   24   16   23   64   65                                       
CONECT   25   22   66   67   68                                       
CONECT   26   27   18   31   31                                       
CONECT   27   28   28   26   69                                       
CONECT   28   27   27   29   70                                       
CONECT   29   28   30   30   71                                       
CONECT   30   29   29   31   32                                       
CONECT   31   26   26   30   35                                       
CONECT   32   30   33   33   72                                       
CONECT   33   32   32   34   73                                       
CONECT   34   35   35   33   74                                       
CONECT   35   31   34   34   75                                       
CONECT   36   21   38   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   76   77                                       
CONECT   39   38   78   79   80                                       
CONECT   40    1   41   41   41                                       
CONECT   41   40   40   40                                            
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
