COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.075  -0.752  -1.376  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.754   0.660  -1.925  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.613   0.411  -3.448  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.200  -1.696  -2.226  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.442  -1.465   0.103  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.159  -1.161   0.229  1.00  0.00           C  
HETATM    7  C   UNL     1       1.143  -1.858   0.102  1.00  0.00           C  
HETATM    8  C   UNL     1       2.918  -0.325  -0.398  1.00  0.00           C  
HETATM    9  C   UNL     1       2.065  -2.772   0.614  1.00  0.00           C  
HETATM   10  C   UNL     1       2.638  -4.851   1.617  1.00  0.00           C  
HETATM   11  C   UNL     1       7.130   0.609  -0.377  1.00  0.00           C  
HETATM   12  C   UNL     1       8.899   2.020  -1.431  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.475  -1.726   0.363  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.066  -0.252   0.322  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.650  -0.100   0.882  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.707  -0.847   0.043  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.906  -0.957  -3.543  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.378  -0.528   0.231  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.217  -2.170   0.098  1.00  0.00           N  
HETATM   20  C   UNL     1       1.576  -0.637  -0.400  1.00  0.00           C  
HETATM   21  C   UNL     1       3.846  -1.238   0.108  1.00  0.00           C  
HETATM   22  C   UNL     1       3.411  -2.465   0.618  1.00  0.00           C  
HETATM   23  O   UNL     1       1.639  -3.965   1.109  1.00  0.00           O  
HETATM   24  C   UNL     1       5.284  -0.906   0.109  1.00  0.00           C  
HETATM   25  O   UNL     1       6.091  -1.701   0.550  1.00  0.00           O  
HETATM   26  N   UNL     1       5.702   0.279  -0.378  1.00  0.00           N  
HETATM   27  C   UNL     1       7.419   1.634  -1.477  1.00  0.00           C  
HETATM   28  N   UNL     1       9.218   2.586  -0.114  1.00  0.00           N  
HETATM   29  C   UNL     1      10.595   3.095  -0.080  1.00  0.00           C  
HETATM   30  C   UNL     1       8.993   1.604   0.954  1.00  0.00           C  
HETATM   31  C   UNL     1       7.516   1.206   0.980  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.745   0.072   0.475  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.618   1.062   0.627  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.963   0.781   0.527  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.955   1.748   0.726  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.922   3.089   0.797  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.139   3.533   0.975  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.997   2.477   1.031  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.416   2.545   1.212  1.00  0.00           C  
HETATM   40  N   UNL     1      -8.541   2.599   1.356  1.00  0.00           N  
HETATM   41  C   UNL     1      -5.264   1.354   0.884  1.00  0.00           C  
HETATM   42  H   UNL     1      -6.131  -0.984  -1.513  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.574   1.350  -1.721  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.820   1.035  -1.507  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.595   0.367  -3.920  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.003   1.189  -3.907  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.268  -1.913  -1.703  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.738  -2.622  -2.429  1.00  0.00           H  
HETATM   49  H   UNL     1       3.252   0.625  -0.788  1.00  0.00           H  
HETATM   50  H   UNL     1       3.341  -5.099   0.823  1.00  0.00           H  
HETATM   51  H   UNL     1       3.170  -4.368   2.436  1.00  0.00           H  
HETATM   52  H   UNL     1       2.164  -5.763   1.980  1.00  0.00           H  
HETATM   53  H   UNL     1       7.712  -0.294  -0.558  1.00  0.00           H  
HETATM   54  H   UNL     1       9.511   1.135  -1.604  1.00  0.00           H  
HETATM   55  H   UNL     1       9.105   2.761  -2.204  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.781  -2.313  -0.238  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.452  -2.080   1.394  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.483  -1.834  -0.036  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.088   0.102  -0.709  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.760   0.335   0.923  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.618  -0.488   1.901  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.302  -1.524  -4.385  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.832  -0.814  -3.659  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.503  -3.092   0.004  1.00  0.00           H  
HETATM   65  H   UNL     1       0.859   0.070  -0.791  1.00  0.00           H  
HETATM   66  H   UNL     1       4.126  -3.171   1.014  1.00  0.00           H  
HETATM   67  H   UNL     1       5.058   0.914  -0.729  1.00  0.00           H  
HETATM   68  H   UNL     1       7.186   1.200  -2.449  1.00  0.00           H  
HETATM   69  H   UNL     1       6.806   2.521  -1.318  1.00  0.00           H  
HETATM   70  H   UNL     1      10.714   3.875  -0.833  1.00  0.00           H  
HETATM   71  H   UNL     1      10.805   3.509   0.907  1.00  0.00           H  
HETATM   72  H   UNL     1      11.289   2.281  -0.288  1.00  0.00           H  
HETATM   73  H   UNL     1       9.604   0.721   0.770  1.00  0.00           H  
HETATM   74  H   UNL     1       9.267   2.043   1.914  1.00  0.00           H  
HETATM   75  H   UNL     1       6.905   2.086   1.177  1.00  0.00           H  
HETATM   76  H   UNL     1       7.352   0.465   1.763  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.280   2.068   0.826  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.035   3.701   0.720  1.00  0.00           H  
CONECT    1   16    4    2   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2   17   45   46                                       
CONECT    4    1   17   47   48                                       
CONECT    5    6   18   18                                            
CONECT    6   19   32   32    5                                       
CONECT    7    9   19   20   20                                       
CONECT    8   21   21   20   49                                       
CONECT    9   23   22   22    7                                       
CONECT   10   23   50   51   52                                       
CONECT   11   26   27   31   53                                       
CONECT   12   27   28   54   55                                       
CONECT   13   14   56   57   58                                       
CONECT   14   15   13   59   60                                       
CONECT   15   16   41   14   61                                       
CONECT   16   18    1   15                                            
CONECT   17    4    3   62   63                                       
CONECT   18    5    5   34   16                                       
CONECT   19    7    6   64                                            
CONECT   20    7    7    8   65                                       
CONECT   21   22   24    8    8                                       
CONECT   22    9    9   21   66                                       
CONECT   23   10    9                                                 
CONECT   24   25   25   21   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   11   67                                            
CONECT   27   11   12   68   69                                       
CONECT   28   12   30   29                                            
CONECT   29   28   70   71   72                                       
CONECT   30   31   28   73   74                                       
CONECT   31   11   30   75   76                                       
CONECT   32    6    6   33                                            
CONECT   33   32   34   34   77                                       
CONECT   34   33   33   18   35                                       
CONECT   35   34   36   41                                            
CONECT   36   35   37   37   78                                       
CONECT   37   36   36   38                                            
CONECT   38   37   41   41   39                                       
CONECT   39   38   40   40   40                                       
CONECT   40   39   39   39                                            
CONECT   41   35   15   38   38                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   36                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
