COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.799  -0.462  -0.670  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.077   1.826   0.184  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.889   1.170  -0.730  1.00  0.00           C  
HETATM    4  O   UNL     1       4.186   1.419  -0.187  1.00  0.00           O  
HETATM    5  O   UNL     1       3.764  -0.664  -1.206  1.00  0.00           O  
HETATM    6  C   UNL     1       0.388  -2.296   0.406  1.00  0.00           C  
HETATM    7  S   UNL     1       3.789  -0.028   0.064  1.00  0.00           S  
HETATM    8  O   UNL     1       4.592  -0.482   1.145  1.00  0.00           O  
HETATM    9  O   UNL     1       2.353  -0.020   0.570  1.00  0.00           O  
HETATM   10  N   UNL     1       1.358   0.234  -0.472  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.001   0.227   0.087  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.292   0.887  -0.380  1.00  0.00           N  
HETATM   13  O   UNL     1      -2.660   2.955   0.333  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.546  -1.169   0.048  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.763  -1.475  -0.272  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.065  -0.702   0.113  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.159  -0.299   1.252  1.00  0.00           O  
HETATM   18  N   UNL     1      -5.092  -1.366  -0.454  1.00  0.00           N  
HETATM   19  H   UNL     1      -3.007  -0.552  -1.736  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.078   1.574   0.502  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.649   2.205  -0.488  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.731   0.994  -1.795  1.00  0.00           H  
HETATM   23  H   UNL     1       0.334  -2.486   1.478  1.00  0.00           H  
HETATM   24  H   UNL     1       0.098  -3.195  -0.137  1.00  0.00           H  
HETATM   25  H   UNL     1       1.408  -2.022   0.137  1.00  0.00           H  
HETATM   26  H   UNL     1       1.443  -0.433  -1.224  1.00  0.00           H  
HETATM   27  H   UNL     1       0.032   0.570   1.121  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.049  -2.516  -0.251  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.906  -1.521   0.049  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.016  -1.689  -1.366  1.00  0.00           H  
HETATM   31  H   UNL     1       5.090   1.528  -0.514  1.00  0.00           H  
CONECT    1   16   15   12   19                                       
CONECT    2   13   13   12   20                                       
CONECT    3   12   11   21   22                                       
CONECT    4    7   31                                                 
CONECT    5    7    7                                                 
CONECT    6   14   23   24   25                                       
CONECT    7    8    8    9    5                                       
CONECT    7    5    4                                                 
CONECT    8    7    7                                                 
CONECT    9   10    7                                                 
CONECT   10   11    9   26                                            
CONECT   11   14    3   10   27                                       
CONECT   12    1    2    3                                            
CONECT   13    2    2                                                 
CONECT   14   15   15    6   11                                       
CONECT   15    1   14   14   28                                       
CONECT   16   18   17   17    1                                       
CONECT   17   16   16                                                 
CONECT   18   16   29   30                                            
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   15                                                      
CONECT   29   18                                                      
CONECT   30   18                                                      
CONECT   31    4                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
