COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.966  -1.316  -0.994  1.00  0.00           C  
HETATM    2  C   UNL     1       3.506  -1.468   1.351  1.00  0.00           C  
HETATM    3  O   UNL     1       1.419   2.097  -1.328  1.00  0.00           O  
HETATM    4  S   UNL     1       1.080   1.354  -0.166  1.00  0.00           S  
HETATM    5  O   UNL     1       0.942   1.942   1.120  1.00  0.00           O  
HETATM    6  N   UNL     1      -0.360   0.604  -0.493  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.971  -0.276   0.506  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.409  -0.533   0.136  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.839  -1.538  -0.629  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.208  -1.576  -0.828  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.891  -0.601  -0.225  1.00  0.00           C  
HETATM   12  S   UNL     1      -3.779   0.442   0.653  1.00  0.00           S  
HETATM   13  C   UNL     1       2.301   0.093  -0.007  1.00  0.00           C  
HETATM   14  C   UNL     1       3.008  -0.327  -1.118  1.00  0.00           C  
HETATM   15  C   UNL     1       4.213  -1.888   0.240  1.00  0.00           C  
HETATM   16  C   UNL     1       2.552  -0.475   1.227  1.00  0.00           C  
HETATM   17  H   UNL     1       4.519  -1.645  -1.862  1.00  0.00           H  
HETATM   18  H   UNL     1       3.698  -1.915   2.315  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.798   0.747  -1.347  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.430  -1.222   0.538  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.928   0.200   1.485  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.169  -2.267  -1.060  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.688  -2.336  -1.426  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.962  -0.472  -0.269  1.00  0.00           H  
HETATM   25  H   UNL     1       2.812   0.117  -2.083  1.00  0.00           H  
HETATM   26  H   UNL     1       4.958  -2.664   0.336  1.00  0.00           H  
HETATM   27  H   UNL     1       1.999  -0.146   2.095  1.00  0.00           H  
CONECT    1   14   14   15   17                                       
CONECT    2   16   15   15   18                                       
CONECT    3    4    4                                                 
CONECT    4    5    5    6    3                                       
CONECT    4    3   13                                                 
CONECT    5    4    4                                                 
CONECT    6    7    4   19                                            
CONECT    7    8    6   20   21                                       
CONECT    8    9    9   12    7                                       
CONECT    9   10    8    8   22                                       
CONECT   10    9   11   11   23                                       
CONECT   11   10   10   12   24                                       
CONECT   12   11    8                                                 
CONECT   13    4   16   16   14                                       
CONECT   14   13    1    1   25                                       
CONECT   15    2    2    1   26                                       
CONECT   16   13   13    2   27                                       
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
