COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.733   0.714   0.517  1.00  0.00           N  
HETATM    2  O   UNL     1       1.839   1.369  -0.864  1.00  0.00           O  
HETATM    3  O   UNL     1       2.721  -0.941  -0.953  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.740   1.068  -0.338  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.762   1.923   0.148  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.485  -0.280  -0.481  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.530   1.444   0.493  1.00  0.00           C  
HETATM    8  C   UNL     1       1.251  -0.259   1.167  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.371  -1.965   0.312  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.702  -2.023  -0.160  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.070  -0.742   0.625  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.239  -0.787  -0.135  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.252   0.083   0.357  1.00  0.00           C  
HETATM   14  S   UNL     1       2.335   0.208  -0.211  1.00  0.00           S  
HETATM   15  H   UNL     1       4.052   1.620   0.379  1.00  0.00           H  
HETATM   16  H   UNL     1       4.233   0.105   1.084  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.711   1.460  -0.604  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.977   2.977   0.254  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.253  -0.939  -0.860  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.774   2.117   0.871  1.00  0.00           H  
HETATM   21  H   UNL     1       1.086   0.607   1.809  1.00  0.00           H  
HETATM   22  H   UNL     1       1.720  -1.055   1.744  1.00  0.00           H  
CONECT    1   14   15   16                                            
CONECT    2   14   14                                                 
CONECT    3   14   14                                                 
CONECT    4    5    5    6   17                                       
CONECT    5    4    4    7   18                                       
CONECT    6    4   12   12   19                                       
CONECT    7    5   13   13   20                                       
CONECT    8   11   14   21   22                                       
CONECT    9   10   11   11                                            
CONECT   10    9   12                                                 
CONECT   11    8    9    9   13                                       
CONECT   12    6    6   10   13                                       
CONECT   13    7    7   11   12                                       
CONECT   14    1    2    2    3                                       
CONECT   14    3    8                                                 
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    8                                                      
CONECT   22    8                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
