COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.122   3.420  -0.445  1.00  0.00           C  
HETATM    2  C   UNL     1       5.406  -0.999  -1.408  1.00  0.00           C  
HETATM    3  C   UNL     1       5.908   0.737   0.317  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.016   2.214  -0.310  1.00  0.00           C  
HETATM    5  C   UNL     1       3.574  -0.011  -0.061  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.687  -0.235   0.246  1.00  0.00           C  
HETATM    7  C   UNL     1       1.263  -0.496   0.130  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.450   0.935  -0.081  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.214  -0.187   0.173  1.00  0.00           C  
HETATM   10  C   UNL     1       5.014  -0.454  -0.033  1.00  0.00           C  
HETATM   11  N   UNL     1       5.182  -1.507   0.977  1.00  0.00           N  
HETATM   12  N   UNL     1       0.866   0.713  -0.092  1.00  0.00           N  
HETATM   13  N   UNL     1       2.589  -0.905   0.155  1.00  0.00           N  
HETATM   14  O   UNL     1      -2.221   2.339  -0.396  1.00  0.00           O  
HETATM   15  O   UNL     1       3.301   1.151  -0.279  1.00  0.00           O  
HETATM   16  S   UNL     1      -0.121  -1.549   0.401  1.00  0.00           S  
HETATM   17  H   UNL     1       0.150   3.555  -1.492  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.650   4.305  -0.090  1.00  0.00           H  
HETATM   19  H   UNL     1       0.780   3.273   0.149  1.00  0.00           H  
HETATM   20  H   UNL     1       5.281  -0.218  -2.158  1.00  0.00           H  
HETATM   21  H   UNL     1       6.448  -1.320  -1.388  1.00  0.00           H  
HETATM   22  H   UNL     1       4.769  -1.848  -1.658  1.00  0.00           H  
HETATM   23  H   UNL     1       5.628   1.125   1.297  1.00  0.00           H  
HETATM   24  H   UNL     1       6.949   0.416   0.337  1.00  0.00           H  
HETATM   25  H   UNL     1       5.782   1.518  -0.433  1.00  0.00           H  
HETATM   26  H   UNL     1       6.125  -1.867   0.971  1.00  0.00           H  
HETATM   27  H   UNL     1       4.929  -1.172   1.894  1.00  0.00           H  
HETATM   28  H   UNL     1       2.807  -1.834   0.329  1.00  0.00           H  
HETATM   29  C   UNL     1      -3.381   0.585   1.140  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.413  -1.099  -0.583  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.695   0.545   1.209  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.799  -1.105  -0.473  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.409  -0.260   0.447  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.568  -1.949  -1.278  1.00  0.00           N  
HETATM   35  H   UNL     1      -2.833   1.259   1.783  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.910  -1.743  -1.288  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.486  -0.261   0.536  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.136  -2.536  -1.918  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.535  -1.949  -1.196  1.00  0.00           H  
CONECT    1    4   17   18   19                                       
CONECT    2   10   20   21   22                                       
CONECT    3   10   23   24   25                                       
CONECT    4    1    8   14   14                                       
CONECT    5   15   15   13   10                                       
CONECT    6    9   29   30   30                                       
CONECT    7   16   12   12   13                                       
CONECT    8    9    9    4   12                                       
CONECT    9    6    8    8   16                                       
CONECT   10   11    5    3    2                                       
CONECT   11   10   26   27                                            
CONECT   12    8    7    7                                            
CONECT   13    7    5   28                                            
CONECT   14    4    4                                                 
CONECT   15    5    5                                                 
CONECT   16    9    7                                                 
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
CONECT   29    6   31   31   35                                       
CONECT   30    6    6   32   36                                       
CONECT   31   29   29   33                                            
CONECT   32   30   33   33   34                                       
CONECT   33   32   32   31   37                                       
CONECT   34   32   38   39                                            
CONECT   35   29                                                      
CONECT   36   30                                                      
CONECT   37   33                                                      
CONECT   38   34                                                      
CONECT   39   34                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
