COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.731   0.001  -0.322  1.00  0.00           C  
HETATM    2  N   UNL     1       4.496  -0.738  -0.615  1.00  0.00           N  
HETATM    3  C   UNL     1       4.544  -1.973   0.180  1.00  0.00           C  
HETATM    4  C   UNL     1       3.451   0.018  -0.113  1.00  0.00           C  
HETATM    5  C   UNL     1       2.122  -0.419  -0.240  1.00  0.00           C  
HETATM    6  C   UNL     1       1.104   0.389   0.295  1.00  0.00           C  
HETATM    7  N   UNL     1       1.432   1.533   0.887  1.00  0.00           N  
HETATM    8  C   UNL     1       2.691   1.905   0.977  1.00  0.00           C  
HETATM    9  N   UNL     1       3.682   1.177   0.495  1.00  0.00           N  
HETATM   10  N   UNL     1       1.524  -1.511  -0.774  1.00  0.00           N  
HETATM   11  C   UNL     1       0.236  -1.423  -0.613  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.073  -0.268   0.041  1.00  0.00           N  
HETATM   13  C1* UNL     1      -1.417   0.188   0.407  1.00  0.00           C  
HETATM   14  O4* UNL     1      -2.330  -0.930   0.461  1.00  0.00           O  
HETATM   15  C4* UNL     1      -3.647  -0.352   0.329  1.00  0.00           C  
HETATM   16  C5* UNL     1      -4.649  -1.411  -0.135  1.00  0.00           C  
HETATM   17  O5* UNL     1      -4.811  -2.394   0.890  1.00  0.00           O  
HETATM   18  C2* UNL     1      -1.987   1.114  -0.689  1.00  0.00           C  
HETATM   19  O2* UNL     1      -1.819   2.487  -0.331  1.00  0.00           O  
HETATM   20  C3* UNL     1      -3.489   0.749  -0.743  1.00  0.00           C  
HETATM   21  O3* UNL     1      -4.294   1.884  -0.418  1.00  0.00           O  
HETATM   22  H   UNL     1       5.742   0.930  -0.892  1.00  0.00           H  
HETATM   23  H   UNL     1       5.775   0.227   0.743  1.00  0.00           H  
HETATM   24  H   UNL     1       6.592  -0.606  -0.600  1.00  0.00           H  
HETATM   25  H   UNL     1       4.714  -1.723   1.228  1.00  0.00           H  
HETATM   26  H   UNL     1       3.597  -2.505   0.082  1.00  0.00           H  
HETATM   27  H   UNL     1       5.355  -2.605  -0.179  1.00  0.00           H  
HETATM   28  H   UNL     1       2.923   2.840   1.465  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.482  -2.157  -0.947  1.00  0.00           H  
HETATM   30  H1* UNL     1      -1.393   0.705   1.366  1.00  0.00           H  
HETATM   31  H4* UNL     1      -3.967   0.083   1.276  1.00  0.00           H  
HETATM   32 H5*1 UNL     1      -5.609  -0.938  -0.339  1.00  0.00           H  
HETATM   33 H5*2 UNL     1      -4.279  -1.889  -1.042  1.00  0.00           H  
HETATM   34  H5* UNL     1      -5.449  -3.041   0.558  1.00  0.00           H  
HETATM   35  H2* UNL     1      -1.510   0.909  -1.647  1.00  0.00           H  
HETATM   36  H2* UNL     1      -2.247   3.011  -1.022  1.00  0.00           H  
HETATM   37  H3* UNL     1      -3.755   0.363  -1.728  1.00  0.00           H  
HETATM   38  H3* UNL     1      -5.212   1.582  -0.407  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2    1    3    4                                            
CONECT    3    2   25   26   27                                       
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   10                                       
CONECT    6    5    7    7   12                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9    9   28                                       
CONECT    9    4    8    8                                            
CONECT   10    5   11   11                                            
CONECT   11   10   10   12   29                                       
CONECT   12    6   11   13                                            
CONECT   13   12   14   18   30                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   20   31                                       
CONECT   16   15   17   32   33                                       
CONECT   17   16   34                                                 
CONECT   18   13   19   20   35                                       
CONECT   19   18   36                                                 
CONECT   20   15   18   21   37                                       
CONECT   21   20   38                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
