COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.696  -1.455  -1.562  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.661  -0.491  -0.827  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.065  -0.605   0.454  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.547  -1.893   0.958  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.440  -2.148   2.463  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.807  -1.886   1.826  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.159   0.832  -1.344  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.896   0.728  -2.744  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.871   1.211  -0.610  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.361   2.555  -1.135  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.377   3.650  -0.803  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.962   4.993  -1.442  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.764   5.898  -0.245  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.004   5.249   0.839  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.365   3.964   0.679  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.632   3.187   1.572  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.856   0.180  -0.841  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.819   0.053   0.010  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.675   0.848   0.914  1.00  0.00           O  
HETATM   20  C   UNL     1       0.163  -1.077  -0.163  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.573  -2.414  -0.051  1.00  0.00           C  
HETATM   22  C   UNL     1       0.408  -3.559  -0.308  1.00  0.00           C  
HETATM   23  C   UNL     1       0.886  -3.504  -1.761  1.00  0.00           C  
HETATM   24  C   UNL     1       1.867  -4.650  -2.019  1.00  0.00           C  
HETATM   25  C   UNL     1       1.169  -5.987  -1.762  1.00  0.00           C  
HETATM   26  C   UNL     1       0.690  -6.042  -0.310  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.290  -4.896  -0.052  1.00  0.00           C  
HETATM   28  N   UNL     1       1.189  -0.996   0.880  1.00  0.00           N  
HETATM   29  C   UNL     1       2.466  -0.739   0.538  1.00  0.00           C  
HETATM   30  O   UNL     1       2.764  -0.576  -0.635  1.00  0.00           O  
HETATM   31  C   UNL     1       3.461  -0.659   1.537  1.00  0.00           C  
HETATM   32  C   UNL     1       3.108  -0.845   2.845  1.00  0.00           C  
HETATM   33  C   UNL     1       1.769  -1.110   3.163  1.00  0.00           C  
HETATM   34  C   UNL     1       0.840  -1.175   2.181  1.00  0.00           C  
HETATM   35  N   UNL     1       4.793  -0.393   1.192  1.00  0.00           N  
HETATM   36  C   UNL     1       5.105   0.739   0.530  1.00  0.00           C  
HETATM   37  O   UNL     1       4.245   1.567   0.305  1.00  0.00           O  
HETATM   38  O   UNL     1       6.369   0.952   0.119  1.00  0.00           O  
HETATM   39  C   UNL     1       6.633   2.193  -0.588  1.00  0.00           C  
HETATM   40  C   UNL     1       6.289   3.378   0.317  1.00  0.00           C  
HETATM   41  C   UNL     1       8.112   2.257  -0.973  1.00  0.00           C  
HETATM   42  C   UNL     1       5.773   2.252  -1.853  1.00  0.00           C  
HETATM   43  H   UNL     1      -5.037   0.166   1.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.400  -2.744   0.292  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.223  -3.166   2.786  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.011  -1.357   3.077  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.277  -0.922   2.022  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.489  -2.731   1.731  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.914   1.600  -1.172  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.232   0.063  -2.972  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.071   1.291   0.458  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.407   2.791  -0.664  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.229   2.497  -2.215  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.376   3.360  -1.129  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.032   4.883  -1.999  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.754   5.373  -2.088  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.465   6.935  -0.294  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.931  -0.410  -1.607  1.00  0.00           H  
HETATM   59  H   UNL     1       0.634  -1.003  -1.143  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.994  -2.514   0.950  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.375  -2.449  -0.788  1.00  0.00           H  
HETATM   62  H   UNL     1       1.264  -3.462   0.360  1.00  0.00           H  
HETATM   63  H   UNL     1       0.030  -3.601  -2.429  1.00  0.00           H  
HETATM   64  H   UNL     1       1.384  -2.552  -1.944  1.00  0.00           H  
HETATM   65  H   UNL     1       2.208  -4.611  -3.053  1.00  0.00           H  
HETATM   66  H   UNL     1       2.723  -4.553  -1.350  1.00  0.00           H  
HETATM   67  H   UNL     1       0.313  -6.084  -2.430  1.00  0.00           H  
HETATM   68  H   UNL     1       1.867  -6.803  -1.946  1.00  0.00           H  
HETATM   69  H   UNL     1       0.193  -6.994  -0.127  1.00  0.00           H  
HETATM   70  H   UNL     1       1.546  -5.945   0.359  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.631  -4.935   0.983  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.146  -4.993  -0.720  1.00  0.00           H  
HETATM   73  H   UNL     1       3.853  -0.788   3.625  1.00  0.00           H  
HETATM   74  H   UNL     1       1.477  -1.258   4.192  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.190  -1.379   2.434  1.00  0.00           H  
HETATM   76  H   UNL     1       5.491  -1.024   1.429  1.00  0.00           H  
HETATM   77  H   UNL     1       6.902   3.336   1.218  1.00  0.00           H  
HETATM   78  H   UNL     1       6.487   4.309  -0.213  1.00  0.00           H  
HETATM   79  H   UNL     1       5.235   3.332   0.591  1.00  0.00           H  
HETATM   80  H   UNL     1       8.356   1.413  -1.618  1.00  0.00           H  
HETATM   81  H   UNL     1       8.309   3.188  -1.503  1.00  0.00           H  
HETATM   82  H   UNL     1       8.724   2.215  -0.072  1.00  0.00           H  
HETATM   83  H   UNL     1       4.719   2.206  -1.578  1.00  0.00           H  
HETATM   84  H   UNL     1       5.971   3.183  -2.383  1.00  0.00           H  
HETATM   85  H   UNL     1       6.018   1.408  -2.497  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    4    2   43                                            
CONECT    4    6    5    3   44                                       
CONECT    5    6    4   45   46                                       
CONECT    6    5    4   47   48                                       
CONECT    7    2    9    8   49                                       
CONECT    8    7   50                                                 
CONECT    9   10    7   17   51                                       
CONECT   10   11    9   52   53                                       
CONECT   11   12   15   10   54                                       
CONECT   12   13   11   55   56                                       
CONECT   13   14   14   12   57                                       
CONECT   14   13   13   15                                            
CONECT   15   14   11   16   16                                       
CONECT   16   15   15                                                 
CONECT   17    9   18   58                                            
CONECT   18   19   19   17   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   28   21   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   21   23   27   62                                       
CONECT   23   22   24   63   64                                       
CONECT   24   23   25   65   66                                       
CONECT   25   24   26   67   68                                       
CONECT   26   27   25   69   70                                       
CONECT   27   22   26   71   72                                       
CONECT   28   29   34   20                                            
CONECT   29   31   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31   35   32   32   29                                       
CONECT   32   31   31   33   73                                       
CONECT   33   32   34   34   74                                       
CONECT   34   33   33   28   75                                       
CONECT   35   36   31   76                                            
CONECT   36   38   37   37   35                                       
CONECT   37   36   36                                                 
CONECT   38   39   36                                                 
CONECT   39   42   38   40   41                                       
CONECT   40   39   77   78   79                                       
CONECT   41   39   80   81   82                                       
CONECT   42   39   83   84   85                                       
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
