COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK     1       5.114   1.820   1.732  1.00  0.00           O  
HETATM    2  C   UNK     1       4.058   1.199   2.311  1.00  0.00           C  
HETATM    3  C   UNK     1       3.581  -0.020   1.540  1.00  0.00           C  
HETATM    4  N   UNK     1       2.536  -0.725   2.240  1.00  0.00           N  
HETATM    5  C   UNK     1       3.180   0.320   0.103  1.00  0.00           C  
HETATM    6  S   UNK     1       1.832   1.542  -0.014  1.00  0.00           S  
HETATM    7  C   UNK     1       1.749   1.659  -1.815  1.00  0.00           C  
HETATM    8  C   UNK     1       0.674   2.642  -2.271  1.00  0.00           C  
HETATM    9  C   UNK     1       0.555   2.761  -3.786  1.00  0.00           C  
HETATM   10  O   UNK     1       1.294   2.148  -4.553  1.00  0.00           O  
HETATM   11  C   UNK     1      -0.512   3.635  -4.351  1.00  0.00           C  
HETATM   12  C   UNK     1      -1.408   4.352  -3.662  1.00  0.00           C  
HETATM   13  S   UNK     1      -0.613   3.740  -6.027  1.00  0.00           S  
HETATM   14  C   UNK     1      -1.939   4.814  -5.878  1.00  0.00           C  
HETATM   15  C   UNK     1      -2.261   5.057  -4.561  1.00  0.00           C  
HETATM   16  O   UNK     1       3.538   1.597   3.346  1.00  0.00           O  
HETATM   17  H   UNK     1       5.398   2.610   2.239  1.00  0.00           H  
HETATM   18  H   UNK     1       4.429  -0.715   1.516  1.00  0.00           H  
HETATM   19  H   UNK     1       2.087  -0.279   3.023  1.00  0.00           H  
HETATM   20  H   UNK     1       2.413  -1.709   2.071  1.00  0.00           H  
HETATM   21  H   UNK     1       2.844  -0.586  -0.414  1.00  0.00           H  
HETATM   22  H   UNK     1       4.037   0.718  -0.450  1.00  0.00           H  
HETATM   23  H   UNK     1       1.521   0.660  -2.202  1.00  0.00           H  
HETATM   24  H   UNK     1       2.736   1.945  -2.192  1.00  0.00           H  
HETATM   25  H   UNK     1       0.868   3.629  -1.834  1.00  0.00           H  
HETATM   26  H   UNK     1      -0.295   2.285  -1.901  1.00  0.00           H  
HETATM   27  H   UNK     1      -1.486   4.400  -2.583  1.00  0.00           H  
HETATM   28  H   UNK     1      -2.418   5.215  -6.759  1.00  0.00           H  
HETATM   29  H   UNK     1      -3.070   5.708  -4.256  1.00  0.00           H  
CONECT    1    2   17                                                 
CONECT    2    1   16   16    3                                       
CONECT    3    2    5    4   18                                       
CONECT    4    3   19   20                                            
CONECT    5    3    6   21   22                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   23   24                                       
CONECT    8    7    9   25   26                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11   15   27                                       
CONECT   13   11   14                                                 
CONECT   14   13   15   15   28                                       
CONECT   15   12   14   14   29                                       
CONECT   16    2    2                                                 
CONECT   17    1                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27   12                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
