COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.253  -1.266   1.504  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.503  -0.848   0.655  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.170  -0.763   0.778  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.553  -0.696  -0.542  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.604   0.016  -1.423  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.925  -0.347  -0.709  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.810   0.893  -0.571  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.280   0.108  -0.487  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.203  -0.438  -0.962  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.272  -1.833  -1.528  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.886   0.292  -0.959  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.860   1.341   0.138  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.063   2.271  -0.092  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.352   1.481   0.105  1.00  0.00           C  
HETATM   15  C   UNL     1       0.276  -0.632  -0.976  1.00  0.00           C  
HETATM   16  C   UNL     1       0.432  -1.747  -0.319  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.565  -2.282   0.671  1.00  0.00           C  
HETATM   18  C   UNL     1       1.671  -2.568  -0.622  1.00  0.00           C  
HETATM   19  O   UNL     1       2.690  -1.713  -1.145  1.00  0.00           O  
HETATM   20  C   UNL     1       2.177  -3.236   0.655  1.00  0.00           C  
HETATM   21  C   UNL     1       3.678  -2.958   0.808  1.00  0.00           C  
HETATM   22  C   UNL     1       3.914  -1.458   0.642  1.00  0.00           C  
HETATM   23  C   UNL     1       4.959  -0.955   1.657  1.00  0.00           C  
HETATM   24  C   UNL     1       5.754   0.103   0.863  1.00  0.00           C  
HETATM   25  C   UNL     1       7.256  -0.170   0.976  1.00  0.00           C  
HETATM   26  O   UNL     1       4.434  -1.178  -0.666  1.00  0.00           O  
HETATM   27  C   UNL     1       5.299  -0.037  -0.593  1.00  0.00           C  
HETATM   28  C   UNL     1       4.539   1.184  -1.037  1.00  0.00           C  
HETATM   29  C   UNL     1       5.142   2.101  -2.071  1.00  0.00           C  
HETATM   30  C   UNL     1       3.357   1.451  -0.536  1.00  0.00           C  
HETATM   31  C   UNL     1       2.585   2.663  -0.989  1.00  0.00           C  
HETATM   32  C   UNL     1       1.116   2.304  -1.226  1.00  0.00           C  
HETATM   33  C   UNL     1       0.417   2.120   0.092  1.00  0.00           C  
HETATM   34  N   UNL     1       0.982   2.620   1.116  1.00  0.00           N  
HETATM   35  C   UNL     1       0.511   2.482   2.480  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.863   1.834   2.570  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.000   0.716   1.529  1.00  0.00           C  
HETATM   38  H   UNL     1      -7.450  -1.131  -1.255  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.355  -1.699  -0.920  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.443   1.094  -1.425  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.593  -0.381  -2.438  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.265   1.671  -0.037  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.085   1.256  -1.561  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.712   0.635  -0.016  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.176   2.023  -0.360  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.549   1.395   1.174  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.024  -1.868  -2.317  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.301  -2.107  -1.939  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.543  -2.533  -0.738  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.866   0.855  -1.924  1.00  0.00           H  
HETATM   51  H   UNL     1       1.122  -0.359  -1.632  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.027   3.096   0.618  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.032   2.663  -1.109  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.978   0.244   1.623  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.215  -0.025   1.680  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.390  -1.577   0.772  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.947  -3.240   0.321  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.080  -2.414   1.639  1.00  0.00           H  
HETATM   59  H   UNL     1       1.428  -3.334  -1.358  1.00  0.00           H  
HETATM   60  H   UNL     1       2.488  -1.349  -2.018  1.00  0.00           H  
HETATM   61  H   UNL     1       1.643  -2.832   1.515  1.00  0.00           H  
HETATM   62  H   UNL     1       2.011  -4.312   0.594  1.00  0.00           H  
HETATM   63  H   UNL     1       4.010  -3.274   1.797  1.00  0.00           H  
HETATM   64  H   UNL     1       4.231  -3.502   0.042  1.00  0.00           H  
HETATM   65  H   UNL     1       2.977  -0.924   0.793  1.00  0.00           H  
HETATM   66  H   UNL     1       4.470  -0.501   2.519  1.00  0.00           H  
HETATM   67  H   UNL     1       5.612  -1.770   1.971  1.00  0.00           H  
HETATM   68  H   UNL     1       5.525   1.102   1.233  1.00  0.00           H  
HETATM   69  H   UNL     1       7.473  -1.168   0.597  1.00  0.00           H  
HETATM   70  H   UNL     1       7.804   0.568   0.390  1.00  0.00           H  
HETATM   71  H   UNL     1       7.560  -0.104   2.020  1.00  0.00           H  
HETATM   72  H   UNL     1       6.163  -0.191  -1.242  1.00  0.00           H  
HETATM   73  H   UNL     1       4.842   1.774  -3.066  1.00  0.00           H  
HETATM   74  H   UNL     1       4.791   3.119  -1.902  1.00  0.00           H  
HETATM   75  H   UNL     1       6.229   2.074  -1.992  1.00  0.00           H  
HETATM   76  H   UNL     1       2.934   0.800   0.216  1.00  0.00           H  
HETATM   77  H   UNL     1       2.647   3.437  -0.223  1.00  0.00           H  
HETATM   78  H   UNL     1       3.018   3.041  -1.915  1.00  0.00           H  
HETATM   79  H   UNL     1       0.632   3.106  -1.784  1.00  0.00           H  
HETATM   80  H   UNL     1       1.057   1.379  -1.800  1.00  0.00           H  
HETATM   81  H   UNL     1       1.223   1.873   3.037  1.00  0.00           H  
HETATM   82  H   UNL     1       0.464   3.470   2.937  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.999   1.416   3.567  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.628   2.589   2.390  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    8   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6    2    5    7   38                                       
CONECT    7    6   42   43   44                                       
CONECT    8    4    9    9   14                                       
CONECT    9    8    8   10   11                                       
CONECT   10    9   47   48   49                                       
CONECT   11    9   12   15   50                                       
CONECT   12   11   13   33   37                                       
CONECT   13   12   14   52   53                                       
CONECT   14    8   13   45   46                                       
CONECT   15   11   16   16   51                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16   56   57   58                                       
CONECT   18   16   19   20   59                                       
CONECT   19   18   60                                                 
CONECT   20   18   21   61   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   23   26   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   25   27   68                                       
CONECT   25   24   69   70   71                                       
CONECT   26   22   27                                                 
CONECT   27   24   26   28   72                                       
CONECT   28   27   29   30   30                                       
CONECT   29   28   73   74   75                                       
CONECT   30   28   28   31   76                                       
CONECT   31   30   32   77   78                                       
CONECT   32   31   33   79   80                                       
CONECT   33   12   32   34   34                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   81   82                                       
CONECT   36   35   37   83   84                                       
CONECT   37   12   36   54   55                                       
CONECT   38    6                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   15                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   37                                                      
CONECT   55   37                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
