COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.015   0.960  -1.240  1.00  0.00           C  
HETATM    2  O   UNL     1       3.860   0.646  -0.079  1.00  0.00           O  
HETATM    3  C   UNL     1       5.141   0.358  -2.039  1.00  0.00           C  
HETATM    4  C   UNL     1       5.920  -0.596  -1.171  1.00  0.00           C  
HETATM    5  C   UNL     1       5.557  -1.929  -1.112  1.00  0.00           C  
HETATM    6  C   UNL     1       6.269  -2.805  -0.317  1.00  0.00           C  
HETATM    7  C   UNL     1       7.350  -2.347   0.423  1.00  0.00           C  
HETATM    8  C   UNL     1       7.712  -1.009   0.362  1.00  0.00           C  
HETATM    9  C   UNL     1       7.000  -0.138  -0.439  1.00  0.00           C  
HETATM   10  O   UNL     1       8.052  -3.207   1.207  1.00  0.00           O  
HETATM   11  N   UNL     1       3.176   1.844  -1.816  1.00  0.00           N  
HETATM   12  C   UNL     1       2.038   2.500  -1.157  1.00  0.00           C  
HETATM   13  C   UNL     1       1.062   1.462  -0.664  1.00  0.00           C  
HETATM   14  O   UNL     1       1.289   0.285  -0.842  1.00  0.00           O  
HETATM   15  C   UNL     1       1.357   3.403  -2.208  1.00  0.00           C  
HETATM   16  C   UNL     1       1.809   2.772  -3.552  1.00  0.00           C  
HETATM   17  C   UNL     1       3.252   2.318  -3.210  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.062   1.843  -0.025  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.010   0.834   0.454  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.384   1.444   0.555  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.555   2.607   0.256  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.570   0.335   1.832  1.00  0.00           C  
HETATM   23  C   UNL     1       0.769  -0.394   1.707  1.00  0.00           C  
HETATM   24  C   UNL     1       1.208  -0.893   3.086  1.00  0.00           C  
HETATM   25  C   UNL     1       2.547  -1.622   2.961  1.00  0.00           C  
HETATM   26  N   UNL     1       2.969  -2.101   4.284  1.00  0.00           N1+
HETATM   27  N   UNL     1      -3.423   0.697   0.977  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.759   1.290   1.075  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.905   1.984   2.405  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.983   1.983   3.193  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.815   0.189   0.956  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.750  -0.432  -0.440  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.806  -1.533  -0.559  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.743  -2.127  -1.897  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.599  -3.139  -2.237  1.00  0.00           C  
HETATM   36  N   UNL     1      -8.490  -3.583  -1.351  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.542  -3.679  -3.453  1.00  0.00           N1+
HETATM   38  N   UNL     1      -6.059   2.605   2.718  1.00  0.00           N  
HETATM   39  H   UNL     1       4.732  -0.180  -2.895  1.00  0.00           H  
HETATM   40  H   UNL     1       5.801   1.151  -2.391  1.00  0.00           H  
HETATM   41  H   UNL     1       4.716  -2.285  -1.688  1.00  0.00           H  
HETATM   42  H   UNL     1       5.985  -3.846  -0.271  1.00  0.00           H  
HETATM   43  H   UNL     1       8.552  -0.650   0.938  1.00  0.00           H  
HETATM   44  H   UNL     1       7.284   0.903  -0.490  1.00  0.00           H  
HETATM   45  H   UNL     1       8.794  -3.633   0.756  1.00  0.00           H  
HETATM   46  H   UNL     1       2.391   3.103  -0.320  1.00  0.00           H  
HETATM   47  H   UNL     1       0.273   3.361  -2.108  1.00  0.00           H  
HETATM   48  H   UNL     1       1.715   4.429  -2.124  1.00  0.00           H  
HETATM   49  H   UNL     1       1.180   1.921  -3.815  1.00  0.00           H  
HETATM   50  H   UNL     1       1.813   3.514  -4.350  1.00  0.00           H  
HETATM   51  H   UNL     1       3.945   3.156  -3.289  1.00  0.00           H  
HETATM   52  H   UNL     1       3.560   1.507  -3.870  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.243   2.785   0.117  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.033  -0.002  -0.245  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.461   1.184   2.507  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.321  -0.349   2.227  1.00  0.00           H  
HETATM   57  H   UNL     1       0.659  -1.242   1.032  1.00  0.00           H  
HETATM   58  H   UNL     1       1.520   0.290   1.312  1.00  0.00           H  
HETATM   59  H   UNL     1       1.318  -0.044   3.761  1.00  0.00           H  
HETATM   60  H   UNL     1       0.457  -1.577   3.481  1.00  0.00           H  
HETATM   61  H   UNL     1       2.437  -2.471   2.286  1.00  0.00           H  
HETATM   62  H   UNL     1       3.298  -0.938   2.566  1.00  0.00           H  
HETATM   63  H   UNL     1       3.070  -1.316   4.910  1.00  0.00           H  
HETATM   64  H   UNL     1       2.273  -2.734   4.650  1.00  0.00           H  
HETATM   65  H   UNL     1       3.852  -2.582   4.202  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.286  -0.233   1.216  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.896   2.013   0.271  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.625  -0.580   1.705  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.805   0.616   1.118  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.940   0.337  -1.189  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.760  -0.859  -0.602  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.616  -2.301   0.189  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.796  -1.105  -0.398  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.095  -1.804  -2.542  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.531  -3.189  -0.466  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.097  -4.300  -1.592  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.149  -4.397  -3.693  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.893  -3.356  -4.097  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.796   2.605   2.088  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.152   3.052   3.574  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   39   40                                       
CONECT    4    3    5    9    9                                       
CONECT    5    4    6    6   41                                       
CONECT    6    5    5    7   42                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   43                                       
CONECT    9    4    4    8   44                                       
CONECT   10    7   45                                                 
CONECT   11   12   17    1                                            
CONECT   12   11   13   15   46                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   47   48                                       
CONECT   16   15   17   49   50                                       
CONECT   17   11   16   51   52                                       
CONECT   18   19   53   13                                            
CONECT   19   18   20   22   54                                       
CONECT   20   19   21   21   27                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   55   56                                       
CONECT   23   22   24   57   58                                       
CONECT   24   23   25   59   60                                       
CONECT   25   24   26   61   62                                       
CONECT   26   25   63   64   65                                       
CONECT   27   28   66   20                                            
CONECT   28   27   29   31   67                                       
CONECT   29   28   30   30   38                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   68   69                                       
CONECT   32   31   33   70   71                                       
CONECT   33   32   34   72   73                                       
CONECT   34   33   35   74                                            
CONECT   35   34   36   37   37                                       
CONECT   36   35   75   76                                            
CONECT   37   35   35   77   78                                       
CONECT   38   79   80   29                                            
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
