COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.500  -1.996   1.252  1.00  0.00           C  
HETATM    2  C   UNL     1       2.513   2.518  -0.037  1.00  0.00           C  
HETATM    3  C   UNL     1       2.228   1.614   1.134  1.00  0.00           C  
HETATM    4  C   UNL     1       2.802  -0.745   0.397  1.00  0.00           C  
HETATM    5  C   UNL     1       2.703  -1.252  -1.059  1.00  0.00           C  
HETATM    6  C   UNL     1       2.353  -2.750  -0.912  1.00  0.00           C  
HETATM    7  O   UNL     1       2.834  -3.114   0.401  1.00  0.00           O  
HETATM    8  C   UNL     1       0.499   0.051   0.425  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.526   1.125   0.680  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.584   0.004   1.326  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.342  -0.359  -0.170  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.592   0.277  -1.188  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.362   0.752  -0.899  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.160   0.423  -2.577  1.00  0.00           C  
HETATM   15  N   UNL     1       1.805   0.300   0.646  1.00  0.00           N  
HETATM   16  N   UNL     1       3.990  -1.090  -1.749  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.861   0.610   0.367  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.813  -0.478   1.065  1.00  0.00           N  
HETATM   19  O   UNL     1       2.378   2.106  -1.165  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.454  -0.796  -0.407  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.118  -0.115   2.442  1.00  0.00           O  
HETATM   22  O   UNL     1       0.149  -1.038   0.020  1.00  0.00           O  
HETATM   23  H   UNL     1       3.122  -2.002   2.148  1.00  0.00           H  
HETATM   24  H   UNL     1       1.445  -2.026   1.521  1.00  0.00           H  
HETATM   25  H   UNL     1       3.089   4.322  -0.611  1.00  0.00           H  
HETATM   26  H   UNL     1       3.130   1.505   1.737  1.00  0.00           H  
HETATM   27  H   UNL     1       1.435   2.048   1.743  1.00  0.00           H  
HETATM   28  H   UNL     1       3.806  -0.373   0.605  1.00  0.00           H  
HETATM   29  H   UNL     1       1.913  -0.726  -1.594  1.00  0.00           H  
HETATM   30  H   UNL     1       1.275  -2.895  -0.974  1.00  0.00           H  
HETATM   31  H   UNL     1       2.860  -3.335  -1.679  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.488   1.422   1.729  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.312   1.989   0.051  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.775   1.240  -1.663  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.156  -0.020  -2.610  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.223   1.480  -2.834  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.512  -0.087  -3.290  1.00  0.00           H  
HETATM   38  H   UNL     1       3.933  -1.419  -2.701  1.00  0.00           H  
HETATM   39  H   UNL     1       4.299  -0.130  -1.717  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.321  -0.913   1.768  1.00  0.00           H  
HETATM   41  O   UNL     1       2.919   3.780   0.172  1.00  0.00           O  
CONECT    1    7    4   23   24                                       
CONECT    2   19   19    3   41                                       
CONECT    3    2   15   26   27                                       
CONECT    4    1   15    5   28                                       
CONECT    5    4    6   16   29                                       
CONECT    6    7    5   30   31                                       
CONECT    7    1    6                                                 
CONECT    8   15   22   22    9                                       
CONECT    9    8   17   32   33                                       
CONECT   10   21   21   17   18                                       
CONECT   11   18   12   20   20                                       
CONECT   12   13   13   11   14                                       
CONECT   13   17   12   12   34                                       
CONECT   14   12   35   36   37                                       
CONECT   15    3    4    8                                            
CONECT   16    5   38   39                                            
CONECT   17    9   10   13                                            
CONECT   18   10   11   40                                            
CONECT   19    2    2                                                 
CONECT   20   11   11                                                 
CONECT   21   10   10                                                 
CONECT   22    8    8                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25   41                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41    2   25                                                 
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
