COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.847  -0.628  -3.870  1.00  0.00           C  
HETATM    2  N   UNL     1       1.056  -1.129  -2.580  1.00  0.00           N  
HETATM    3  C   UNL     1       0.590  -0.670  -1.405  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.210   0.380  -1.151  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.771   1.300  -2.043  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.645   1.346  -3.373  1.00  0.00           C  
HETATM    7  O   UNL     1       0.933  -1.307  -0.429  1.00  0.00           O  
HETATM    8  C1* UNL     1      -0.535   0.595   0.261  1.00  0.00           C  
HETATM    9  O4* UNL     1       0.667   0.781   1.037  1.00  0.00           O  
HETATM   10  C4* UNL     1       0.335   0.482   2.403  1.00  0.00           C  
HETATM   11  C3* UNL     1      -0.850  -0.501   2.385  1.00  0.00           C  
HETATM   12  C2* UNL     1      -1.171  -0.676   0.878  1.00  0.00           C  
HETATM   13  O2* UNL     1      -2.582  -0.700   0.657  1.00  0.00           O  
HETATM   14  O3* UNL     1      -1.975   0.047   3.075  1.00  0.00           O  
HETATM   15  C5* UNL     1       1.535  -0.161   3.101  1.00  0.00           C  
HETATM   16  O5* UNL     1       2.631   0.755   3.107  1.00  0.00           O  
HETATM   17  C   UNL     1       0.121   0.432  -4.240  1.00  0.00           C  
HETATM   18  H   UNL     1       1.334  -1.167  -4.669  1.00  0.00           H  
HETATM   19  H   UNL     1       1.620  -1.916  -2.526  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.384   2.071  -1.600  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.168   2.148  -3.873  1.00  0.00           H  
HETATM   22  H1* UNL     1      -1.201   1.450   0.374  1.00  0.00           H  
HETATM   23  H4* UNL     1       0.050   1.396   2.924  1.00  0.00           H  
HETATM   24  H3* UNL     1      -0.561  -1.455   2.827  1.00  0.00           H  
HETATM   25  H2* UNL     1      -0.702  -1.577   0.481  1.00  0.00           H  
HETATM   26  H2* UNL     1      -2.915  -1.512   1.063  1.00  0.00           H  
HETATM   27  H3* UNL     1      -1.718   0.133   4.004  1.00  0.00           H  
HETATM   28 H5*1 UNL     1       1.822  -1.067   2.568  1.00  0.00           H  
HETATM   29 H5*2 UNL     1       1.266  -0.412   4.127  1.00  0.00           H  
HETATM   30  H5* UNL     1       3.364   0.311   3.554  1.00  0.00           H  
HETATM   31  H   UNL     1       0.094   0.644  -5.298  1.00  0.00           H  
CONECT    1    2   17   17   18                                       
CONECT    2    1    3   19                                            
CONECT    3    2    4    7    7                                       
CONECT    4    3    5    8                                            
CONECT    5    4    6    6   20                                       
CONECT    6    5    5   17   21                                       
CONECT    7    3    3                                                 
CONECT    8    4    9   12   22                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   15   23                                       
CONECT   11   10   12   14   24                                       
CONECT   12    8   11   13   25                                       
CONECT   13   12   26                                                 
CONECT   14   11   27                                                 
CONECT   15   10   16   28   29                                       
CONECT   16   15   30                                                 
CONECT   17    1    1    6   31                                       
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    8                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
