COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.595  -0.116   0.964  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.572   0.750   0.122  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.640   1.544  -0.053  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.786   1.305   0.805  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.897   2.300   0.461  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.342   0.942  -0.728  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.323  -0.037  -0.342  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.132  -0.054  -0.971  1.00  0.00           C  
HETATM    9  O   UNL     1       0.098   0.744  -1.859  1.00  0.00           O  
HETATM   10  N   UNL     1       0.806  -0.954  -0.615  1.00  0.00           N  
HETATM   11  C   UNL     1       0.529  -1.915   0.456  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.092  -3.179  -0.142  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.522  -3.529   0.275  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.347  -4.355   0.803  1.00  0.00           C  
HETATM   15  C   UNL     1       2.101  -0.972  -1.299  1.00  0.00           C  
HETATM   16  C   UNL     1       3.062  -0.063  -0.578  1.00  0.00           C  
HETATM   17  C   UNL     1       3.853  -0.563   0.440  1.00  0.00           C  
HETATM   18  C   UNL     1       4.735   0.268   1.103  1.00  0.00           C  
HETATM   19  C   UNL     1       4.828   1.607   0.746  1.00  0.00           C  
HETATM   20  N   UNL     1       5.714   2.451   1.418  1.00  0.00           N  
HETATM   21  C   UNL     1       4.032   2.106  -0.278  1.00  0.00           C  
HETATM   22  C   UNL     1       3.156   1.269  -0.940  1.00  0.00           C  
HETATM   23  H   UNL     1      -6.149   0.289   0.652  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.494   1.434   1.847  1.00  0.00           H  
HETATM   25  H   UNL     1      -7.758   2.121   1.105  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.534   3.317   0.614  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.190   2.172  -0.581  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.601   0.802  -1.778  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.953   1.949  -0.581  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.507  -0.673   0.367  1.00  0.00           H  
HETATM   31  H   UNL     1       1.459  -2.172   0.962  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.164  -1.473   1.171  1.00  0.00           H  
HETATM   33  H   UNL     1       0.205  -3.411  -1.165  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.020  -2.858   0.975  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.166  -3.990  -0.473  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.219  -5.360   0.402  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.073  -4.228   1.850  1.00  0.00           H  
HETATM   38  H   UNL     1       2.496  -1.988  -1.303  1.00  0.00           H  
HETATM   39  H   UNL     1       1.975  -0.627  -2.325  1.00  0.00           H  
HETATM   40  H   UNL     1       3.781  -1.604   0.718  1.00  0.00           H  
HETATM   41  H   UNL     1       5.352  -0.123   1.898  1.00  0.00           H  
HETATM   42  H   UNL     1       5.775   3.387   1.170  1.00  0.00           H  
HETATM   43  H   UNL     1       6.270   2.102   2.132  1.00  0.00           H  
HETATM   44  H   UNL     1       4.101   3.147  -0.558  1.00  0.00           H  
HETATM   45  H   UNL     1       2.537   1.656  -1.736  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   23   24                                       
CONECT    5    4   25   26   27                                       
CONECT    6    2    7   28   29                                       
CONECT    7    8    6   30                                            
CONECT    8    9    9   10    7                                       
CONECT    9    8    8                                                 
CONECT   10   15    8   11                                            
CONECT   11   10   12   31   32                                       
CONECT   12   11   14   13   33                                       
CONECT   13   12   14   34   35                                       
CONECT   14   12   13   36   37                                       
CONECT   15   16   10   38   39                                       
CONECT   16   22   22   17   15                                       
CONECT   17   18   18   16   40                                       
CONECT   18   19   17   17   41                                       
CONECT   19   20   21   21   18                                       
CONECT   20   19   42   43                                            
CONECT   21   19   19   22   44                                       
CONECT   22   21   16   16   45                                       
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
