COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.011   0.604   1.850  1.00  0.00           O  
HETATM    2  C   UNL     1       0.197  -0.201   0.962  1.00  0.00           C  
HETATM    3  N   UNL     1       1.389  -0.218   0.333  1.00  0.00           N  
HETATM    4  C   UNL     1       2.433   0.735   0.718  1.00  0.00           C  
HETATM    5  C   UNL     1       3.657   0.509  -0.132  1.00  0.00           C  
HETATM    6  O   UNL     1       4.747   1.271   0.045  1.00  0.00           O  
HETATM    7  C   UNL     1       5.889   0.997  -0.809  1.00  0.00           C  
HETATM    8  C   UNL     1       7.027   1.959  -0.463  1.00  0.00           C  
HETATM    9  O   UNL     1       3.657  -0.359  -0.973  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.762  -1.081   0.612  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.511  -2.051  -0.456  1.00  0.00           C  
HETATM   12  C   UNL     1       0.083  -3.328   0.142  1.00  0.00           C  
HETATM   13  C   UNL     1       0.345  -4.341  -0.974  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.055  -1.068   1.301  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.998  -0.139   0.581  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.803  -0.623  -0.434  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.668   0.226  -1.096  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.729   1.568  -0.742  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.603   2.429  -1.409  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.918   2.051   0.278  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.060   1.196   0.939  1.00  0.00           C  
HETATM   22  H   UNL     1       1.555  -0.860  -0.375  1.00  0.00           H  
HETATM   23  H   UNL     1       2.070   1.752   0.569  1.00  0.00           H  
HETATM   24  H   UNL     1       2.688   0.590   1.768  1.00  0.00           H  
HETATM   25  H   UNL     1       6.221  -0.029  -0.653  1.00  0.00           H  
HETATM   26  H   UNL     1       5.604   1.132  -1.852  1.00  0.00           H  
HETATM   27  H   UNL     1       6.695   2.986  -0.619  1.00  0.00           H  
HETATM   28  H   UNL     1       7.313   1.824   0.580  1.00  0.00           H  
HETATM   29  H   UNL     1       7.885   1.753  -1.104  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.449  -2.288  -0.960  1.00  0.00           H  
HETATM   31  H   UNL     1       0.190  -1.627  -1.175  1.00  0.00           H  
HETATM   32  H   UNL     1       1.021  -3.091   0.645  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.618  -3.752   0.861  1.00  0.00           H  
HETATM   34  H   UNL     1       1.046  -3.916  -1.693  1.00  0.00           H  
HETATM   35  H   UNL     1       0.768  -5.250  -0.548  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.593  -4.578  -1.477  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.473  -2.075   1.309  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.918  -0.723   2.326  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.756  -1.666  -0.709  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.297  -0.153  -1.888  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.169   2.090  -2.120  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.644   3.366  -1.161  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.963   3.094   0.555  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.429   1.571   1.732  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   10    3                                       
CONECT    3    2    4   22                                            
CONECT    4    5    3   23   24                                       
CONECT    5    9    9    6    4                                       
CONECT    6    7    5                                                 
CONECT    7    8    6   25   26                                       
CONECT    8    7   27   28   29                                       
CONECT    9    5    5                                                 
CONECT   10   14    2   11                                            
CONECT   11   10   12   30   31                                       
CONECT   12   11   13   32   33                                       
CONECT   13   12   34   35   36                                       
CONECT   14   15   10   37   38                                       
CONECT   15   16   16   21   14                                       
CONECT   16   17   15   15   39                                       
CONECT   17   18   18   16   40                                       
CONECT   18   19   17   17   20                                       
CONECT   19   18   41   42                                            
CONECT   20   18   21   21   43                                       
CONECT   21   20   20   15   44                                       
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
