COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.745   0.221  -0.243  1.00  0.00           C  
HETATM    2  C   UNL     1       9.600   1.183  -0.569  1.00  0.00           C  
HETATM    3  C   UNL     1       9.848   1.829  -1.934  1.00  0.00           C  
HETATM    4  C   UNL     1      10.459  -0.466   1.096  1.00  0.00           C  
HETATM    5  O   UNL     1       8.795  -1.762   2.280  1.00  0.00           O  
HETATM    6  C   UNL     1       9.106  -1.179   1.013  1.00  0.00           C  
HETATM    7  O   UNL     1      11.486  -1.420   1.373  1.00  0.00           O  
HETATM    8  O   UNL     1      10.849  -0.765  -1.273  1.00  0.00           O  
HETATM    9  O   UNL     1       8.843   2.812  -2.186  1.00  0.00           O  
HETATM   10  O   UNL     1       8.367   0.461  -0.600  1.00  0.00           O  
HETATM   11  C   UNL     1       8.024  -0.162   0.639  1.00  0.00           C  
HETATM   12  C   UNL     1       6.679  -0.877   0.495  1.00  0.00           C  
HETATM   13  C   UNL     1       5.577   0.154   0.243  1.00  0.00           C  
HETATM   14  N   UNL     1       4.290  -0.531   0.105  1.00  0.00           N  
HETATM   15  C   UNL     1       3.169   0.181  -0.123  1.00  0.00           C  
HETATM   16  O   UNL     1       3.226   1.389  -0.215  1.00  0.00           O  
HETATM   17  C   UNL     1       1.844  -0.523  -0.265  1.00  0.00           C  
HETATM   18  C   UNL     1       0.742   0.508  -0.517  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.582  -0.197  -0.659  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.708   0.045   0.053  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.878  -1.180  -1.516  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.105  -1.528  -1.343  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.641  -0.819  -0.412  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.023  -0.926   0.061  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.027  -1.270   1.528  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.924  -0.296   2.446  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.122  -2.422   1.878  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.693   0.321  -0.138  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.747  -2.024  -0.723  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.207  -2.089  -0.265  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.909  -3.061  -1.042  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.853  -0.714  -0.458  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.229  -0.744   0.045  1.00  0.00           N  
HETATM   34  C   UNL     1      -9.227  -1.181  -0.747  1.00  0.00           C  
HETATM   35  O   UNL     1      -8.987  -1.549  -1.878  1.00  0.00           O  
HETATM   36  C   UNL     1     -10.642  -1.212  -0.229  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.048   0.333   0.315  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.652   1.719   0.078  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.721   1.975  -1.326  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.775   2.779   0.747  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.706   2.523   2.152  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.379   4.165   0.510  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.501   5.163   1.034  1.00  0.00           O  
HETATM   44  H   UNL     1      11.680   0.776  -0.175  1.00  0.00           H  
HETATM   45  H   UNL     1       9.548   1.958   0.196  1.00  0.00           H  
HETATM   46  H   UNL     1      10.830   2.303  -1.938  1.00  0.00           H  
HETATM   47  H   UNL     1       9.811   1.064  -2.710  1.00  0.00           H  
HETATM   48  H   UNL     1      10.431   0.280   1.890  1.00  0.00           H  
HETATM   49  H   UNL     1       9.442  -2.414   2.582  1.00  0.00           H  
HETATM   50  H   UNL     1       9.151  -1.960   0.254  1.00  0.00           H  
HETATM   51  H   UNL     1      12.372  -1.038   1.432  1.00  0.00           H  
HETATM   52  H   UNL     1      11.030  -0.400  -2.150  1.00  0.00           H  
HETATM   53  H   UNL     1       8.938   3.263  -3.036  1.00  0.00           H  
HETATM   54  H   UNL     1       7.951   0.595   1.419  1.00  0.00           H  
HETATM   55  H   UNL     1       6.725  -1.573  -0.343  1.00  0.00           H  
HETATM   56  H   UNL     1       6.460  -1.427   1.411  1.00  0.00           H  
HETATM   57  H   UNL     1       5.531   0.849   1.081  1.00  0.00           H  
HETATM   58  H   UNL     1       5.797   0.703  -0.673  1.00  0.00           H  
HETATM   59  H   UNL     1       4.244  -1.497   0.179  1.00  0.00           H  
HETATM   60  H   UNL     1       1.890  -1.219  -1.103  1.00  0.00           H  
HETATM   61  H   UNL     1       1.625  -1.072   0.651  1.00  0.00           H  
HETATM   62  H   UNL     1       0.696   1.203   0.321  1.00  0.00           H  
HETATM   63  H   UNL     1       0.961   1.057  -1.433  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.837   0.780   0.834  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.931  -0.566   3.375  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.709  -1.796  -1.788  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.264  -2.983  -0.537  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.247  -2.367   0.789  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.549  -3.955  -0.972  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.859  -0.460  -1.518  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.421  -0.449   0.950  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.949  -0.204   0.050  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.306  -1.592  -1.006  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.695  -1.862   0.644  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.077   0.101   1.380  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.655   1.756   0.504  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.863   1.958  -1.771  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.772   2.742   0.322  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.564   2.540   2.597  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.514   4.324  -0.559  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.345   4.231   1.012  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.821   6.068   0.919  1.00  0.00           H  
CONECT    1    8    2    4   44                                       
CONECT    2   10    3    1   45                                       
CONECT    3    9    2   46   47                                       
CONECT    4    6    1    7   48                                       
CONECT    5    6   49                                                 
CONECT    6   11    5    4   50                                       
CONECT    7    4   51                                                 
CONECT    8    1   52                                                 
CONECT    9    3   53                                                 
CONECT   10   11    2                                                 
CONECT   11   12   10    6   54                                       
CONECT   12   13   11   55   56                                       
CONECT   13   14   12   57   58                                       
CONECT   14   15   13   59                                            
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   60   61                                       
CONECT   18   17   19   62   63                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19   23   64                                       
CONECT   21   19   22   22                                            
CONECT   22   21   21   23                                            
CONECT   23   20   22   24                                            
CONECT   24   28   23   29   25                                       
CONECT   25   24   27   27   26                                       
CONECT   26   25   65                                                 
CONECT   27   25   25                                                 
CONECT   28   37   24                                                 
CONECT   29   24   30   66   67                                       
CONECT   30   32   29   31   68                                       
CONECT   31   30   69                                                 
CONECT   32   37   33   30   70                                       
CONECT   33   32   34   71                                            
CONECT   34   35   35   33   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   72   73   74                                       
CONECT   37   38   28   32   75                                       
CONECT   38   39   40   37   76                                       
CONECT   39   38   77                                                 
CONECT   40   42   38   41   78                                       
CONECT   41   40   79                                                 
CONECT   42   43   40   80   81                                       
CONECT   43   42   82                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
