COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.640   2.349   0.490  1.00  0.00           N  
HETATM    2  C   UNL     1       6.363   1.201   0.431  1.00  0.00           C  
HETATM    3  C   UNL     1       5.766  -0.038   0.633  1.00  0.00           C  
HETATM    4  C   UNL     1       4.291  -0.129   0.925  1.00  0.00           C  
HETATM    5  C   UNL     1       3.518  -0.259  -0.388  1.00  0.00           C  
HETATM    6  N   UNL     1       2.079  -0.348  -0.103  1.00  0.00           N  
HETATM    7  C   UNL     1       1.304  -0.474  -1.344  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.186  -0.563  -1.008  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.984  -0.819  -2.288  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.474  -0.909  -1.951  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.934   0.405  -1.318  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.136   0.661  -0.038  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.646   0.751  -0.374  1.00  0.00           C  
HETATM   14  C   UNL     1       6.540  -1.196   0.564  1.00  0.00           C  
HETATM   15  C   UNL     1       7.922  -1.110   0.289  1.00  0.00           C  
HETATM   16  N   UNL     1       8.395  -2.416   0.289  1.00  0.00           N  
HETATM   17  C   UNL     1       7.331  -3.230   0.552  1.00  0.00           C  
HETATM   18  N   UNL     1       7.390  -4.603   0.637  1.00  0.00           N  
HETATM   19  C   UNL     1       8.665  -5.295   0.438  1.00  0.00           C  
HETATM   20  N   UNL     1       6.246  -2.513   0.713  1.00  0.00           N  
HETATM   21  C   UNL     1       8.521   0.116   0.087  1.00  0.00           C  
HETATM   22  C   UNL     1       7.752   1.277   0.156  1.00  0.00           C  
HETATM   23  C   UNL     1       8.344   2.603  -0.053  1.00  0.00           C  
HETATM   24  O   UNL     1       9.531   2.733  -0.293  1.00  0.00           O  
HETATM   25  N   UNL     1       7.525   3.677   0.031  1.00  0.00           N  
HETATM   26  C   UNL     1       6.196   3.518   0.300  1.00  0.00           C  
HETATM   27  N   UNL     1       5.405   4.638   0.375  1.00  0.00           N  
HETATM   28  H   UNL     1       4.097  -1.002   1.549  1.00  0.00           H  
HETATM   29  H   UNL     1       3.968   0.770   1.450  1.00  0.00           H  
HETATM   30  H   UNL     1       3.711   0.614  -1.012  1.00  0.00           H  
HETATM   31  H   UNL     1       3.841  -1.158  -0.913  1.00  0.00           H  
HETATM   32  H   UNL     1       1.882  -1.112   0.526  1.00  0.00           H  
HETATM   33  H   UNL     1       1.482   0.398  -1.974  1.00  0.00           H  
HETATM   34  H   UNL     1       1.611  -1.375  -1.875  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.352  -1.382  -0.307  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.819  -0.001  -2.989  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.656  -1.756  -2.739  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.042  -1.092  -2.863  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.639  -1.727  -1.250  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.768   1.224  -2.019  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.464   1.598   0.414  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.301  -0.157   0.663  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.078   0.933   0.538  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.481   1.569  -1.075  1.00  0.00           H  
HETATM   45  H   UNL     1       9.309  -2.697   0.130  1.00  0.00           H  
HETATM   46  H   UNL     1       6.587  -5.111   0.828  1.00  0.00           H  
HETATM   47  H   UNL     1       9.046  -5.076  -0.560  1.00  0.00           H  
HETATM   48  H   UNL     1       9.384  -4.954   1.183  1.00  0.00           H  
HETATM   49  H   UNL     1       8.516  -6.370   0.542  1.00  0.00           H  
HETATM   50  H   UNL     1       9.578   0.176  -0.123  1.00  0.00           H  
HETATM   51  H   UNL     1       5.793   5.516   0.237  1.00  0.00           H  
HETATM   52  H   UNL     1       4.458   4.551   0.565  1.00  0.00           H  
HETATM   53  C   UNL     1      -4.367   0.319  -0.994  1.00  0.00           C  
HETATM   54  C   UNL     1      -5.510   0.250  -0.735  1.00  0.00           C  
HETATM   55  C   UNL     1      -6.904   0.166  -0.420  1.00  0.00           C  
HETATM   56  C   UNL     1      -7.554   1.252   0.170  1.00  0.00           C  
HETATM   57  C   UNL     1      -8.895   1.171   0.473  1.00  0.00           C  
HETATM   58  C   UNL     1      -9.604   0.003   0.191  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.956  -1.082  -0.399  1.00  0.00           C  
HETATM   60  C   UNL     1      -7.617  -1.000  -0.708  1.00  0.00           C  
HETATM   61  H   UNL     1      -7.005   2.156   0.390  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.397   2.010   0.930  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.506  -1.986  -0.616  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.115  -1.841  -1.165  1.00  0.00           H  
HETATM   65  C   UNL     1     -11.048  -0.084   0.517  1.00  0.00           C  
HETATM   66  C   UNL     1     -11.760  -1.249   0.237  1.00  0.00           C  
HETATM   67  C   UNL     1     -13.103  -1.325   0.543  1.00  0.00           C  
HETATM   68  C   UNL     1     -13.743  -0.247   1.129  1.00  0.00           C  
HETATM   69  C   UNL     1     -13.042   0.912   1.409  1.00  0.00           C  
HETATM   70  C   UNL     1     -11.697   0.997   1.112  1.00  0.00           C  
HETATM   71  H   UNL     1     -11.261  -2.091  -0.221  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.656  -2.227   0.326  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.795  -0.311   1.367  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.547   1.750   1.866  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.151   1.902   1.332  1.00  0.00           H  
HETATM   76  H   UNL     1       7.885   4.568  -0.101  1.00  0.00           H  
CONECT    1    2   26   26                                            
CONECT    2    1    3   22   22                                       
CONECT    3    2    4   14   14                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5   32    7                                            
CONECT    7    6    8   33   34                                       
CONECT    8    7    9   35   13                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   38   39   11                                       
CONECT   11   10   40   53   12                                       
CONECT   12   11   41   42   13                                       
CONECT   13    8   12   43   44                                       
CONECT   14    3    3   20   15                                       
CONECT   15   14   16   21   21                                       
CONECT   16   15   17   45                                            
CONECT   17   16   18   20   20                                       
CONECT   18   17   19   46                                            
CONECT   19   18   47   48   49                                       
CONECT   20   14   17   17                                            
CONECT   21   15   15   50   22                                       
CONECT   22    2    2   21   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   76                                            
CONECT   26   25    1    1   27                                       
CONECT   27   26   51   52                                            
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   11   54   54   54                                       
CONECT   54   53   53   53   55                                       
CONECT   55   54   56   60   60                                       
CONECT   56   55   57   57   61                                       
CONECT   57   56   56   58   62                                       
CONECT   58   57   59   59   65                                       
CONECT   59   58   58   60   63                                       
CONECT   60   59   55   55   64                                       
CONECT   61   56                                                      
CONECT   62   57                                                      
CONECT   63   59                                                      
CONECT   64   60                                                      
CONECT   65   58   66   70   70                                       
CONECT   66   65   67   67   71                                       
CONECT   67   66   66   68   72                                       
CONECT   68   67   69   69   73                                       
CONECT   69   68   68   70   74                                       
CONECT   70   69   65   65   75                                       
CONECT   71   66                                                      
CONECT   72   67                                                      
CONECT   73   68                                                      
CONECT   74   69                                                      
CONECT   75   70                                                      
CONECT   76   25                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
