COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.979   1.124  -0.169  1.00  0.00           O  
HETATM    2  C   UNL     1       2.508   0.029  -0.134  1.00  0.00           C  
HETATM    3  N   UNL     1       3.851  -0.070  -0.097  1.00  0.00           N  
HETATM    4  C   UNL     1       4.675   1.142  -0.100  1.00  0.00           C  
HETATM    5  C   UNL     1       6.132   0.758  -0.055  1.00  0.00           C  
HETATM    6  C   UNL     1       6.831   0.559  -1.231  1.00  0.00           C  
HETATM    7  C   UNL     1       8.167   0.207  -1.189  1.00  0.00           C  
HETATM    8  C   UNL     1       8.804   0.054   0.028  1.00  0.00           C  
HETATM    9  C   UNL     1       8.105   0.254   1.204  1.00  0.00           C  
HETATM   10  C   UNL     1       6.771   0.612   1.162  1.00  0.00           C  
HETATM   11  N   UNL     1       1.749  -1.085  -0.126  1.00  0.00           N  
HETATM   12  C   UNL     1       0.360  -0.983  -0.050  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.208   0.217  -0.096  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.513   0.379  -0.029  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.400  -2.134   0.064  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786  -2.018   0.139  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.820  -2.904   0.253  1.00  0.00           N  
HETATM   18  N   UNL     1      -4.030  -2.202   0.281  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.803  -0.914   0.190  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.352  -0.726   0.094  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.827   0.158   0.184  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.074  -0.043  -0.417  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.997   0.981  -0.399  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.345   0.778  -1.042  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.717   2.136   0.174  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.554   2.367   0.751  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.574   1.395   0.784  1.00  0.00           C  
HETATM   28  H   UNL     1       4.273  -0.943  -0.069  1.00  0.00           H  
HETATM   29  H   UNL     1       4.478   1.713  -1.007  1.00  0.00           H  
HETATM   30  H   UNL     1       4.432   1.748   0.772  1.00  0.00           H  
HETATM   31  H   UNL     1       6.333   0.678  -2.182  1.00  0.00           H  
HETATM   32  H   UNL     1       8.713   0.050  -2.108  1.00  0.00           H  
HETATM   33  H   UNL     1       9.848  -0.221   0.060  1.00  0.00           H  
HETATM   34  H   UNL     1       8.603   0.134   2.155  1.00  0.00           H  
HETATM   35  H   UNL     1       6.225   0.768   2.081  1.00  0.00           H  
HETATM   36  H   UNL     1       2.170  -1.958  -0.172  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.934   1.372  -0.070  1.00  0.00           H  
HETATM   38  H   UNL     1       0.073  -3.104   0.095  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.730  -3.868   0.307  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.310  -0.986  -0.887  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.042   0.377  -0.306  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.718   1.732  -1.414  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.250   0.076  -1.871  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.366   3.328   1.207  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.626   1.590   1.263  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   11    1    1    3                                       
CONECT    3    2    4   28                                            
CONECT    4    3    5   29   30                                       
CONECT    5   10   10    6    4                                       
CONECT    6    7    7    5   31                                       
CONECT    7    8    6    6   32                                       
CONECT    8    9    9    7   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9    5    5   35                                       
CONECT   11   12    2   36                                            
CONECT   12   15   11   13   13                                       
CONECT   13   12   12   14                                            
CONECT   14   20   20   13   37                                       
CONECT   15   16   16   12   38                                       
CONECT   16   17   15   15   20                                       
CONECT   17   18   16   39                                            
CONECT   18   17   19   19                                            
CONECT   19   18   18   20   21                                       
CONECT   20   16   19   14   14                                       
CONECT   21   19   22   27   27                                       
CONECT   22   23   23   21   40                                       
CONECT   23   24   22   22   25                                       
CONECT   24   23   41   42   43                                       
CONECT   25   23   26   26                                            
CONECT   26   25   25   27   44                                       
CONECT   27   21   21   26   45                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
