COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.576   0.740  -0.813  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.085   0.914  -0.617  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.648  -0.321  -0.164  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.084  -0.794   1.062  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.575  -0.986   0.883  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.973   0.283   0.448  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.585   0.163   0.325  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.826   1.257  -0.071  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.452   1.137  -0.191  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.707   2.207  -0.579  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.408   3.423  -0.845  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.965  -1.048   0.606  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.594  -1.169   0.487  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.833  -0.080   0.086  1.00  0.00           C  
HETATM   15  N   UNL     1       0.558  -0.204  -0.036  1.00  0.00           N  
HETATM   16  C   UNL     1       1.110  -1.413  -0.262  1.00  0.00           C  
HETATM   17  O   UNL     1       0.399  -2.378  -0.460  1.00  0.00           O  
HETATM   18  C   UNL     1       2.584  -1.564  -0.268  1.00  0.00           C  
HETATM   19  N   UNL     1       3.353  -0.507  -0.046  1.00  0.00           N  
HETATM   20  C   UNL     1       3.147  -2.818  -0.502  1.00  0.00           C  
HETATM   21  C   UNL     1       4.528  -2.951  -0.507  1.00  0.00           C  
HETATM   22  C   UNL     1       5.302  -1.828  -0.277  1.00  0.00           C  
HETATM   23  C   UNL     1       4.675  -0.601  -0.043  1.00  0.00           C  
HETATM   24  C   UNL     1       5.494   0.604   0.209  1.00  0.00           C  
HETATM   25  N   UNL     1       6.856   0.663   0.242  1.00  0.00           N  
HETATM   26  N   UNL     1       7.218   1.989   0.511  1.00  0.00           N  
HETATM   27  C   UNL     1       6.127   2.701   0.635  1.00  0.00           C  
HETATM   28  C   UNL     1       5.026   1.866   0.446  1.00  0.00           C  
HETATM   29  H   UNL     1      -5.393   0.001  -1.592  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.135   1.693  -1.104  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.269   1.691   0.124  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.544   1.198  -1.564  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.267  -0.067   1.852  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.542  -1.747   1.329  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.133  -1.292   1.831  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.392  -1.753   0.131  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.307   2.199  -0.285  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.697   4.194  -1.144  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.126   3.260  -1.649  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.934   3.743   0.053  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.556  -1.896   0.918  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.115  -2.111   0.706  1.00  0.00           H  
HETATM   43  H   UNL     1       1.124   0.580   0.042  1.00  0.00           H  
HETATM   44  H   UNL     1       2.515  -3.676  -0.678  1.00  0.00           H  
HETATM   45  H   UNL     1       4.988  -3.912  -0.685  1.00  0.00           H  
HETATM   46  H   UNL     1       6.380  -1.900  -0.274  1.00  0.00           H  
HETATM   47  H   UNL     1       7.464  -0.080   0.104  1.00  0.00           H  
HETATM   48  H   UNL     1       6.086   3.761   0.843  1.00  0.00           H  
HETATM   49  H   UNL     1       3.989   2.162   0.487  1.00  0.00           H  
CONECT    1    2    6   29   30                                       
CONECT    2    3    1   31   32                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   33   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    5    7    1                                            
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   37                                       
CONECT    9    8   10   14   14                                       
CONECT   10   11    9                                                 
CONECT   11   10   38   39   40                                       
CONECT   12    7   13   13   41                                       
CONECT   13   12   12   14   42                                       
CONECT   14    9    9   13   15                                       
CONECT   15   14   16   43                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   19   20                                       
CONECT   19   18   18   23                                            
CONECT   20   18   21   21   44                                       
CONECT   21   20   20   22   45                                       
CONECT   22   23   23   21   46                                       
CONECT   23   19   24   22   22                                       
CONECT   24   28   28   23   25                                       
CONECT   25   26   24   47                                            
CONECT   26   27   27   25                                            
CONECT   27   28   26   26   48                                       
CONECT   28   27   24   24   49                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
