COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.779  -0.664   0.978  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.107  -1.984   1.223  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.579  -2.986   0.430  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.724  -2.667  -0.609  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.398  -1.346  -0.854  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.924  -0.345  -0.060  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.507   1.338  -0.373  1.00  0.00           S  
HETATM    8  O   UNL     1      -2.116   1.408  -1.737  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.559   2.121   0.175  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.155   1.682   0.520  1.00  0.00           N  
HETATM   11  C   UNL     1       0.042   1.041   0.240  1.00  0.00           C  
HETATM   12  S   UNL     1       1.574   1.281   1.082  1.00  0.00           S  
HETATM   13  N   UNL     1       0.237   0.148  -0.688  1.00  0.00           N  
HETATM   14  N   UNL     1       1.398  -0.333  -0.802  1.00  0.00           N  
HETATM   15  C   UNL     1       2.312   0.090   0.009  1.00  0.00           C  
HETATM   16  S   UNL     1       3.993  -0.435   0.042  1.00  0.00           S  
HETATM   17  O   UNL     1       4.773   0.691  -0.338  1.00  0.00           O  
HETATM   18  O   UNL     1       4.174  -1.127   1.270  1.00  0.00           O  
HETATM   19  N   UNL     1       4.179  -1.559  -1.160  1.00  0.00           N  
HETATM   20  H   UNL     1      -4.195   0.119   1.595  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.774  -2.233   2.035  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.834  -4.017   0.622  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.312  -3.450  -1.228  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.730  -1.097  -1.666  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.201   2.332   1.238  1.00  0.00           H  
HETATM   26  H   UNL     1       3.423  -1.803  -1.717  1.00  0.00           H  
HETATM   27  H   UNL     1       5.043  -1.974  -1.307  1.00  0.00           H  
CONECT    1    2    2    6   20                                       
CONECT    2    1    1    3   21                                       
CONECT    3    2    4    4   22                                       
CONECT    4    3    3    5   23                                       
CONECT    5    4    6    6   24                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   25                                            
CONECT   11   10   12   13   13                                       
CONECT   12   11   15                                                 
CONECT   13   11   11   14                                            
CONECT   14   13   15   15                                            
CONECT   15   12   14   14   16                                       
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   26   27                                            
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25   10                                                      
CONECT   26   19                                                      
CONECT   27   19                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
