COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.985   1.117   0.236  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.008  -0.023   0.016  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.153  -1.105   0.054  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.616  -0.722   0.011  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.585   0.817  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.107   1.142  -0.083  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.341  -1.228  -0.168  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.333   1.099   0.210  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.406   0.004  -0.004  1.00  0.00           N  
HETATM   10  C   UNL     1       1.043  -1.239  -0.157  1.00  0.00           C  
HETATM   11  N   UNL     1       3.991   0.269  -1.457  1.00  0.00           N  
HETATM   12  C   UNL     1       1.713  -0.043   0.055  1.00  0.00           C  
HETATM   13  O   UNL     1       3.898  -1.316   0.432  1.00  0.00           O  
HETATM   14  O   UNL     1       3.834   1.148   0.843  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.726  -2.236   0.134  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.633   2.256  -0.145  1.00  0.00           O  
HETATM   17  S   UNL     1       3.474  -0.003   0.092  1.00  0.00           S  
HETATM   18  H   UNL     1       1.502   2.052   0.397  1.00  0.00           H  
HETATM   19  H   UNL     1      -5.099  -1.150  -0.868  1.00  0.00           H  
HETATM   20  H   UNL     1      -5.052   1.155  -1.008  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.895  -2.141  -0.326  1.00  0.00           H  
HETATM   22  H   UNL     1       1.589  -2.160  -0.301  1.00  0.00           H  
HETATM   23  H   UNL     1       3.345   0.372  -2.173  1.00  0.00           H  
HETATM   24  H   UNL     1       4.940   0.326  -1.649  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.123  -1.041   0.922  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.078   1.264   0.780  1.00  0.00           H  
CONECT    1   12    8    8   18                                       
CONECT    2    7    7    8    9                                       
CONECT    3   15   15    9    4                                       
CONECT    4    3    5   19   25                                       
CONECT    5    4    6   20   26                                       
CONECT    6    9   16   16    5                                       
CONECT    7   10    2    2   21                                       
CONECT    8    1    1    2                                            
CONECT    9    2    3    6                                            
CONECT   10   12   12    7   22                                       
CONECT   11   17   23   24                                            
CONECT   12   17   10   10    1                                       
CONECT   13   17   17                                                 
CONECT   14   17   17                                                 
CONECT   15    3    3                                                 
CONECT   16    6    6                                                 
CONECT   17   13   13   14   14                                       
CONECT   17   11   12                                                 
CONECT   18    1                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    7                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
