COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.451   0.136   0.932  1.00  0.00           C  
HETATM    2  C   UNL     1       6.458  -1.015   1.113  1.00  0.00           C  
HETATM    3  C   UNL     1       5.317  -0.859   0.103  1.00  0.00           C  
HETATM    4  C   UNL     1       4.660   0.512   0.299  1.00  0.00           C  
HETATM    5  C   UNL     1       5.723   1.604   0.149  1.00  0.00           C  
HETATM    6  C   UNL     1       5.087   2.972   0.403  1.00  0.00           C  
HETATM    7  O   UNL     1       8.019   0.073  -0.378  1.00  0.00           O  
HETATM    8  O   UNL     1       7.124  -2.260   0.892  1.00  0.00           O  
HETATM    9  O   UNL     1       4.347  -1.887   0.314  1.00  0.00           O  
HETATM   10  O   UNL     1       3.641   0.698  -0.685  1.00  0.00           O  
HETATM   11  O   UNL     1       6.770   1.381   1.097  1.00  0.00           O  
HETATM   12  O   UNL     1       6.049   3.998   0.150  1.00  0.00           O  
HETATM   13  C   UNL     1       2.349   0.246  -0.276  1.00  0.00           C  
HETATM   14  C   UNL     1       1.319   0.605  -1.351  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.052   0.064  -0.934  1.00  0.00           C  
HETATM   16  C   UNL     1       0.054  -1.448  -0.712  1.00  0.00           C  
HETATM   17  C   UNL     1       1.132  -1.728   0.337  1.00  0.00           C  
HETATM   18  C   UNL     1       1.286  -3.239   0.520  1.00  0.00           C  
HETATM   19  O   UNL     1       1.250   2.026  -1.490  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.005   0.331  -1.965  1.00  0.00           O  
HETATM   21  O   UNL     1       0.404  -2.087  -1.942  1.00  0.00           O  
HETATM   22  O   UNL     1       2.375  -1.172  -0.098  1.00  0.00           O  
HETATM   23  O   UNL     1       2.209  -3.499   1.580  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.256   0.807  -2.639  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.299   0.694  -1.480  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.214   2.040  -0.756  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.592   2.393  -0.187  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.056   1.263   0.737  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.070  -0.052  -0.046  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.475  -1.196   0.886  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.458  -2.516   0.112  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.955  -3.645   1.017  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.572   2.332   2.317  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.960   2.637   2.819  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.405   1.555   1.228  1.00  0.00           N  
HETATM   36  O   UNL     1      -2.894   0.511  -3.753  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.511   1.236  -2.433  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.507   3.612   0.553  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.766  -0.306  -0.572  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.553  -1.272   1.976  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.312  -2.409  -1.029  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.830  -4.893   0.333  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.606   2.788   2.891  1.00  0.00           O  
HETATM   44  H   UNL     1       8.243   0.053   1.676  1.00  0.00           H  
HETATM   45  H   UNL     1       6.054  -0.992   2.125  1.00  0.00           H  
HETATM   46  H   UNL     1       5.713  -0.931  -0.909  1.00  0.00           H  
HETATM   47  H   UNL     1       4.220   0.566   1.295  1.00  0.00           H  
HETATM   48  H   UNL     1       6.134   1.575  -0.860  1.00  0.00           H  
HETATM   49  H   UNL     1       4.232   3.104  -0.259  1.00  0.00           H  
HETATM   50  H   UNL     1       4.756   3.032   1.440  1.00  0.00           H  
HETATM   51  H   UNL     1       8.659   0.774  -0.563  1.00  0.00           H  
HETATM   52  H   UNL     1       7.859  -2.425   1.497  1.00  0.00           H  
HETATM   53  H   UNL     1       4.696  -2.783   0.213  1.00  0.00           H  
HETATM   54  H   UNL     1       5.714   4.894   0.291  1.00  0.00           H  
HETATM   55  H   UNL     1       2.076   0.725   0.664  1.00  0.00           H  
HETATM   56  H   UNL     1       1.613   0.160  -2.301  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.369   0.548  -0.010  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.904  -1.833  -0.362  1.00  0.00           H  
HETATM   59  H   UNL     1       0.844  -1.274   1.285  1.00  0.00           H  
HETATM   60  H   UNL     1       0.318  -3.676   0.766  1.00  0.00           H  
HETATM   61  H   UNL     1       1.660  -3.681  -0.403  1.00  0.00           H  
HETATM   62  H   UNL     1       2.085   2.436  -1.752  1.00  0.00           H  
HETATM   63  H   UNL     1       0.489  -3.048  -1.875  1.00  0.00           H  
HETATM   64  H   UNL     1       2.355  -4.439   1.752  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.900   2.812  -1.457  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.491   1.970   0.058  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.304   2.511  -1.004  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.372   1.178   1.581  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.786   0.020  -0.865  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.478  -1.013   1.271  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.441  -2.732  -0.215  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.358  -3.668   1.929  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.001  -3.473   1.272  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.896   3.278   3.698  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.524   3.147   2.038  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.464   1.707   3.082  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.178   1.190   0.769  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.088   1.292  -3.207  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.218   4.372   0.029  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.511  -0.468   2.512  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.235  -2.217  -0.813  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.127  -5.656   0.849  1.00  0.00           H  
CONECT    1    2    7   11   44                                       
CONECT    2    8    3    1   45                                       
CONECT    3    9    2    4   46                                       
CONECT    4    3   10    5   47                                       
CONECT    5    4   11    6   48                                       
CONECT    6    5   12   49   50                                       
CONECT    7    1   51                                                 
CONECT    8    2   52                                                 
CONECT    9    3   53                                                 
CONECT   10   13    4                                                 
CONECT   11    1    5                                                 
CONECT   12    6   54                                                 
CONECT   13   22   10   14   55                                       
CONECT   14   13   15   19   56                                       
CONECT   15   16   14   20   57                                       
CONECT   16   21   17   15   58                                       
CONECT   17   18   22   16   59                                       
CONECT   18   23   17   60   61                                       
CONECT   19   14   62                                                 
CONECT   20   15   25                                                 
CONECT   21   16   63                                                 
CONECT   22   17   13                                                 
CONECT   23   18   64                                                 
CONECT   24   36   36   25   37                                       
CONECT   25   20   26   24   39                                       
CONECT   26   25   27   65   66                                       
CONECT   27   38   26   28   67                                       
CONECT   28   27   35   29   68                                       
CONECT   29   28   39   30   69                                       
CONECT   30   40   29   31   70                                       
CONECT   31   30   32   41   71                                       
CONECT   32   31   42   72   73                                       
CONECT   33   43   43   35   34                                       
CONECT   34   33   74   75   76                                       
CONECT   35   28   33   77                                            
CONECT   36   24   24                                                 
CONECT   37   24   78                                                 
CONECT   38   27   79                                                 
CONECT   39   25   29                                                 
CONECT   40   30   80                                                 
CONECT   41   31   81                                                 
CONECT   42   32   82                                                 
CONECT   43   33   33                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
