COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.215   0.079  -2.920  1.00  0.00           C  
HETATM    2  C   UNL     1       3.271   0.610  -1.839  1.00  0.00           C  
HETATM    3  N   UNL     1       3.364  -0.240  -0.649  1.00  0.00           N  
HETATM    4  S   UNL     1       2.761   0.294   0.798  1.00  0.00           S  
HETATM    5  O   UNL     1       2.957  -0.763   1.728  1.00  0.00           O  
HETATM    6  O   UNL     1       3.278   1.603   0.990  1.00  0.00           O  
HETATM    7  C   UNL     1       1.019   0.470   0.605  1.00  0.00           C  
HETATM    8  C   UNL     1       0.425   1.699   0.699  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.947   1.899   0.555  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.779   0.823   0.306  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.162  -0.420   0.213  1.00  0.00           C  
HETATM   12  C   UNL     1       0.208  -0.648   0.346  1.00  0.00           C  
HETATM   13  C   UNL     1       0.655  -1.974   0.213  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.261  -2.959  -0.041  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.627  -2.713  -0.177  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.109  -1.423  -0.043  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.388  -0.706  -0.096  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.478  -1.203  -0.310  1.00  0.00           O  
HETATM   19  N   UNL     1      -3.138   0.614   0.108  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.158   1.666   0.126  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.337   2.227  -1.286  1.00  0.00           C  
HETATM   22  H   UNL     1       3.932  -0.941  -3.180  1.00  0.00           H  
HETATM   23  H   UNL     1       4.146   0.711  -3.805  1.00  0.00           H  
HETATM   24  H   UNL     1       5.238   0.088  -2.546  1.00  0.00           H  
HETATM   25  H   UNL     1       3.554   1.631  -1.579  1.00  0.00           H  
HETATM   26  H   UNL     1       2.248   0.601  -2.214  1.00  0.00           H  
HETATM   27  H   UNL     1       3.777  -1.115  -0.710  1.00  0.00           H  
HETATM   28  H   UNL     1       1.051   2.558   0.894  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.360   2.893   0.640  1.00  0.00           H  
HETATM   30  H   UNL     1       1.704  -2.211   0.310  1.00  0.00           H  
HETATM   31  H   UNL     1       0.091  -3.975  -0.142  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.307  -3.528  -0.379  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.103   1.250   0.475  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.844   2.465   0.798  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.392   2.643  -1.634  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.652   1.427  -1.957  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.096   3.009  -1.273  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2    1    3   25   26                                       
CONECT    3    2    4   27                                            
CONECT    4    3    6    6    5                                       
CONECT    4    5    7                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    4   12   12    8                                       
CONECT    8    7    9    9   28                                       
CONECT    9    8    8   10   29                                       
CONECT   10   11   11    9   19                                       
CONECT   11   12   16   10   10                                       
CONECT   12   13    7    7   11                                       
CONECT   13   14   14   12   30                                       
CONECT   14   13   13   15   31                                       
CONECT   15   14   16   16   32                                       
CONECT   16   15   15   11   17                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   10   20                                            
CONECT   20   19   21   33   34                                       
CONECT   21   20   35   36   37                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   20                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
