COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.326  -0.029  -0.179  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.470   0.729  -0.362  1.00  0.00           N  
HETATM    3  O   UNL     1       0.866  -0.877   1.768  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.349  -2.114   0.119  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.541   1.743   0.025  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.669   2.538  -0.160  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.914   1.986  -0.230  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.062   0.599  -0.114  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.089  -1.604   0.189  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.913  -0.211   0.075  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.648   0.389   0.143  1.00  0.00           C  
HETATM   12  C   UNL     1       2.819   1.101   1.104  1.00  0.00           C  
HETATM   13  C   UNL     1       4.141   0.484   1.249  1.00  0.00           C  
HETATM   14  C   UNL     1       4.975   0.489  -0.027  1.00  0.00           C  
HETATM   15  C   UNL     1       3.646  -0.548  -1.775  1.00  0.00           C  
HETATM   16  C   UNL     1       2.569   0.469  -1.334  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.412  -1.340  -0.059  1.00  0.00           N  
HETATM   18  N   UNL     1       2.101   0.350   0.019  1.00  0.00           N  
HETATM   19  N   UNL     1       4.655  -0.743  -0.698  1.00  0.00           N  
HETATM   20  O   UNL     1       0.748  -1.613  -0.618  1.00  0.00           O  
HETATM   21  S   UNL     1       0.792  -0.599   0.376  1.00  0.00           S  
HETATM   22  H   UNL     1      -6.337   0.296  -0.403  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.404   1.692  -0.450  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.487  -3.181   0.210  1.00  0.00           H  
HETATM   25  H   UNL     1       0.433   2.206   0.077  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.556   3.608  -0.250  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.780   2.615  -0.374  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.240  -2.255   0.334  1.00  0.00           H  
HETATM   29  H   UNL     1       2.266   1.022   2.040  1.00  0.00           H  
HETATM   30  H   UNL     1       2.927   2.149   0.822  1.00  0.00           H  
HETATM   31  H   UNL     1       4.690   1.018   2.025  1.00  0.00           H  
HETATM   32  H   UNL     1       4.008  -0.549   1.572  1.00  0.00           H  
HETATM   33  H   UNL     1       4.703   1.340  -0.652  1.00  0.00           H  
HETATM   34  H   UNL     1       6.037   0.521   0.216  1.00  0.00           H  
HETATM   35  H   UNL     1       3.169  -1.502  -1.997  1.00  0.00           H  
HETATM   36  H   UNL     1       4.145  -0.178  -2.670  1.00  0.00           H  
HETATM   37  H   UNL     1       2.975   1.472  -1.467  1.00  0.00           H  
HETATM   38  H   UNL     1       1.711   0.363  -1.998  1.00  0.00           H  
HETATM   39  H   UNL     1       5.488  -1.185  -1.059  1.00  0.00           H  
CONECT    1    8    2   17   17                                       
CONECT    2    1   22   23                                            
CONECT    3   21   21                                                 
CONECT    4    9    9   17   24                                       
CONECT    5    6    6   11   25                                       
CONECT    6    5    5    7   26                                       
CONECT    7    6    8    8   27                                       
CONECT    8    7    7   10    1                                       
CONECT    9   10    4    4   28                                       
CONECT   10   11   11    8    9                                       
CONECT   11    5   21   10   10                                       
CONECT   12   13   18   29   30                                       
CONECT   13   12   14   31   32                                       
CONECT   14   13   19   33   34                                       
CONECT   15   16   19   35   36                                       
CONECT   16   18   15   37   38                                       
CONECT   17    1    1    4                                            
CONECT   18   12   21   16                                            
CONECT   19   14   15   39                                            
CONECT   20   21   21                                                 
CONECT   21    3    3   11   18                                       
CONECT   21   20   20                                                 
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
