COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  O5*   A A   1      -4.447   2.195  -0.634  1.00  0.00           O  
ATOM      2  C5*   A A   1      -4.154   1.080   0.210  1.00  0.00           C  
ATOM      3  C4*   A A   1      -3.164   0.151  -0.496  1.00  0.00           C  
ATOM      4  O4*   A A   1      -1.898   0.814  -0.649  1.00  0.00           O  
ATOM      5  C3*   A A   1      -2.935  -1.092   0.342  1.00  0.00           C  
ATOM      6  O3*   A A   1      -3.760  -1.893   0.712  1.00  0.00           O  
ATOM      7  C2*   A A   1      -1.434  -1.111   0.613  1.00  0.00           C  
ATOM      8  O2*   A A   1      -0.916  -2.440   0.512  1.00  0.00           O  
ATOM      9  C1*   A A   1      -0.883  -0.207  -0.518  1.00  0.00           C  
ATOM     10  N9    A A   1       0.399   0.385  -0.130  1.00  0.00           N  
ATOM     11  C8    A A   1       0.580   1.596   0.471  1.00  0.00           C  
ATOM     12  N7    A A   1       1.848   1.806   0.673  1.00  0.00           N  
ATOM     13  C5    A A   1       2.559   0.745   0.222  1.00  0.00           C  
ATOM     14  C6    A A   1       3.926   0.423   0.166  1.00  0.00           C  
ATOM     15  N6    A A   1       4.880   1.294   0.663  1.00  0.00           N  
ATOM     16  N1    A A   1       4.281  -0.740  -0.370  1.00  0.00           N  
ATOM     17  C2    A A   1       3.378  -1.577  -0.846  1.00  0.00           C  
ATOM     18  N3    A A   1       2.088  -1.315  -0.821  1.00  0.00           N  
ATOM     19  C4    A A   1       1.639  -0.177  -0.305  1.00  0.00           C  
ATOM     20  H5*   A A   1      -5.072   2.754  -0.153  1.00  0.00           H  
ATOM     21 H5*1   A A   1      -5.073   0.535   0.426  1.00  0.00           H  
ATOM     22 H5*2   A A   1      -3.715   1.436   1.143  1.00  0.00           H  
ATOM     23  H4*   A A   1      -3.555  -0.129  -1.474  1.00  0.00           H  
ATOM     24  H2*   A A   1      -1.211  -0.684   1.591  1.00  0.00           H  
ATOM     25  H2*   A A   1      -1.364  -2.966   1.188  1.00  0.00           H  
ATOM     26  H1*   A A   1      -0.781  -0.769  -1.446  1.00  0.00           H  
ATOM     27  H8    A A   1      -0.212   2.279   0.739  1.00  0.00           H  
ATOM     28  H61   A A   1       5.820   1.059   0.623  1.00  0.00           H  
ATOM     29  H62   A A   1       4.608   2.142   1.048  1.00  0.00           H  
ATOM     30  H2    A A   1       3.710  -2.512  -1.273  1.00  0.00           H  
CONECT    1    2   20                                                 
CONECT    2    1    3   21   22                                       
CONECT    3    2    4    5   23                                       
CONECT    4    3    9                                                 
CONECT    5    3    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    9   24                                       
CONECT    8    7   25                                                 
CONECT    9    4    7   10   26                                       
CONECT   10    9   11   19                                            
CONECT   11   10   12   12   27                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   19   19                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   28   29                                            
CONECT   16   14   14   17                                            
CONECT   17   16   18   18   30                                       
CONECT   18   17   17   19                                            
CONECT   19   10   13   13   18                                       
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   11                                                      
CONECT   28   15                                                      
CONECT   29   15                                                      
CONECT   30   17                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
