COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  O5*   A A   1       4.569   1.772   1.047  1.00  0.00           O  
ATOM      2  C5*   A A   1       4.217   0.988  -0.094  1.00  0.00           C  
ATOM      3  C4*   A A   1       3.184  -0.067   0.310  1.00  0.00           C  
ATOM      4  O4*   A A   1       1.940   0.560   0.689  1.00  0.00           O  
ATOM      5  C1*   A A   1       0.912  -0.437   0.559  1.00  0.00           C  
ATOM      6  N9    A A   1      -0.339   0.191   0.126  1.00  0.00           N  
ATOM      7  C4    A A   1      -1.604  -0.302   0.319  1.00  0.00           C  
ATOM      8  N3    A A   1      -2.110  -1.388   0.893  1.00  0.00           N  
ATOM      9  C2    A A   1      -3.411  -1.589   0.920  1.00  0.00           C  
ATOM     10  N1    A A   1      -4.271  -0.738   0.389  1.00  0.00           N  
ATOM     11  C6    A A   1      -3.858   0.376  -0.206  1.00  0.00           C  
ATOM     12  N6    A A   1      -4.766   1.261  -0.761  1.00  0.00           N  
ATOM     13  C5    A A   1      -2.477   0.634  -0.261  1.00  0.00           C  
ATOM     14  N7    A A   1      -1.714   1.631  -0.768  1.00  0.00           N  
ATOM     15  C8    A A   1      -0.459   1.377  -0.537  1.00  0.00           C  
ATOM     16  C2*   A A   1       1.386  -1.447  -0.503  1.00  0.00           C  
ATOM     17  C3*   A A   1       2.793  -0.943  -0.907  1.00  0.00           C  
ATOM     18  O3*   A A   1       3.701  -2.035  -1.062  1.00  0.00           O  
ATOM     19  H5*   A A   1       5.221   2.462   0.863  1.00  0.00           H  
ATOM     20 H5*1   A A   1       3.793   1.634  -0.863  1.00  0.00           H  
ATOM     21 H5*2   A A   1       5.107   0.494  -0.485  1.00  0.00           H  
ATOM     22  H4*   A A   1       3.567  -0.684   1.123  1.00  0.00           H  
ATOM     23  H1*   A A   1       0.762  -0.942   1.513  1.00  0.00           H  
ATOM     24  H2    A A   1      -3.790  -2.482   1.395  1.00  0.00           H  
ATOM     25  H61   A A   1      -5.716   1.071  -0.717  1.00  0.00           H  
ATOM     26  H62   A A   1      -4.452   2.070  -1.193  1.00  0.00           H  
ATOM     27  H8    A A   1       0.366   2.009  -0.829  1.00  0.00           H  
ATOM     28 H2*1   A A   1       1.447  -2.449  -0.077  1.00  0.00           H  
ATOM     29 H2*2   A A   1       0.716  -1.439  -1.364  1.00  0.00           H  
ATOM     30  H3*   A A   1       2.745  -0.345  -1.817  1.00  0.00           H  
ATOM     31  H3*   A A   1       3.497  -2.612  -1.811  1.00  0.00           H  
CONECT    1    2   19                                                 
CONECT    2    1    3   20   21                                       
CONECT    3    2    4   17   22                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   16   23                                       
CONECT    6    5    7   15                                            
CONECT    7    6    8    8   13                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   10   24                                       
CONECT   10    9    9   11                                            
CONECT   11   10   12   13   13                                       
CONECT   12   11   25   26                                            
CONECT   13    7   11   11   14                                       
CONECT   14   13   15   15                                            
CONECT   15    6   14   14   27                                       
CONECT   16    5   17   28   29                                       
CONECT   17    3   16   18   30                                       
CONECT   18   17   31                                                 
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    9                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
