COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N9    I A   1      -0.391  -0.440  -0.105  1.00  0.00           N  
ATOM      2  C4    I A   1      -1.621   0.138  -0.252  1.00  0.00           C  
ATOM      3  N3    I A   1      -2.048   1.337  -0.675  1.00  0.00           N  
ATOM      4  C2    I A   1      -3.318   1.628  -0.713  1.00  0.00           C  
ATOM      5  N1    I A   1      -4.273   0.744  -0.329  1.00  0.00           N  
ATOM      6  C6    I A   1      -3.929  -0.487   0.112  1.00  0.00           C  
ATOM      7  O6    I A   1      -4.780  -1.288   0.460  1.00  0.00           O  
ATOM      8  C5    I A   1      -2.553  -0.820   0.159  1.00  0.00           C  
ATOM      9  N7    I A   1      -1.859  -1.921   0.531  1.00  0.00           N  
ATOM     10  C8    I A   1      -0.585  -1.700   0.377  1.00  0.00           C  
ATOM     11  C5*   I A   1       4.164  -1.146   0.308  1.00  0.00           C  
ATOM     12  O5*   I A   1       4.474  -2.213  -0.591  1.00  0.00           O  
ATOM     13  C4*   I A   1       3.188  -0.179  -0.365  1.00  0.00           C  
ATOM     14  O4*   I A   1       1.922  -0.829  -0.573  1.00  0.00           O  
ATOM     15  C1*   I A   1       0.900   0.179  -0.415  1.00  0.00           C  
ATOM     16  C2*   I A   1       1.405   1.020   0.785  1.00  0.00           C  
ATOM     17  O2*   I A   1       0.870   2.344   0.740  1.00  0.00           O  
ATOM     18  C3*   I A   1       2.938   1.035   0.551  1.00  0.00           C  
ATOM     19  O3*   I A   1       3.333   2.245  -0.098  1.00  0.00           O  
ATOM     20  H2    I A   1      -3.620   2.605  -1.060  1.00  0.00           H  
ATOM     21  H1    I A   1      -5.209   0.997  -0.370  1.00  0.00           H  
ATOM     22  H8    I A   1       0.199  -2.411   0.593  1.00  0.00           H  
ATOM     23 H5*1   I A   1       3.708  -1.553   1.211  1.00  0.00           H  
ATOM     24 H5*2   I A   1       5.079  -0.615   0.571  1.00  0.00           H  
ATOM     25  H5*   I A   1       5.090  -2.865  -0.230  1.00  0.00           H  
ATOM     26  H4*   I A   1       3.595   0.154  -1.319  1.00  0.00           H  
ATOM     27  H1*   I A   1       0.823   0.796  -1.310  1.00  0.00           H  
ATOM     28  H2*   I A   1       1.159   0.535   1.730  1.00  0.00           H  
ATOM     29  H2*   I A   1       1.157   2.909   1.471  1.00  0.00           H  
ATOM     30  H3*   I A   1       3.470   0.918   1.495  1.00  0.00           H  
ATOM     31  H3*   I A   1       4.282   2.308  -0.270  1.00  0.00           H  
CONECT    1    2   10   15                                            
CONECT    2    3    8    8    1                                       
CONECT    3    4    4    2                                            
CONECT    4    5    3    3   20                                       
CONECT    5    4    6   21                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    2    2    9                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9    1   22                                       
CONECT   11   13   12   23   24                                       
CONECT   12   11   25                                                 
CONECT   13   14   18   11   26                                       
CONECT   14   15   13                                                 
CONECT   15    1   16   14   27                                       
CONECT   16   17   15   18   28                                       
CONECT   17   16   29                                                 
CONECT   18   16   19   13   30                                       
CONECT   19   18   31                                                 
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
CONECT   29   17                                                      
CONECT   30   18                                                      
CONECT   31   19                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
