COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       4.883   0.546  -0.128  1.00  0.00           C  
HETATM    2  N   UNK     1       3.642  -1.260  -1.178  1.00  0.00           N  
HETATM    3  O   UNK     1       5.654  -0.297   0.264  1.00  0.00           O  
HETATM    4  N   UNK     1      -3.303  -1.713  -0.410  1.00  0.00           N  
HETATM    5  C   UNK     1      -2.078  -1.481   0.022  1.00  0.00           C  
HETATM    6  C   UNK     1      -1.703  -0.220   0.446  1.00  0.00           C  
HETATM    7  C   UNK     1      -2.631   0.808   0.415  1.00  0.00           C  
HETATM    8  C   UNK     1      -3.913   0.528  -0.046  1.00  0.00           C  
HETATM    9  C   UNK     1      -4.215  -0.763  -0.455  1.00  0.00           C  
HETATM   10  C   UNK     1      -0.301   0.033   0.938  1.00  0.00           C  
HETATM   11  O   UNK     1       0.006  -0.881   1.993  1.00  0.00           O  
HETATM   12  C   UNK     1       3.566   0.139  -0.737  1.00  0.00           C  
HETATM   13  C   UNK     1       2.456   0.285   0.306  1.00  0.00           C  
HETATM   14  S   UNK     1       0.870  -0.205  -0.427  1.00  0.00           S  
HETATM   15  O   UNK     1      -4.857   1.505  -0.095  1.00  0.00           O  
HETATM   16  C   UNK     1      -6.148   1.135  -0.581  1.00  0.00           C  
HETATM   17  O   UNK     1       5.198   1.847  -0.016  1.00  0.00           O  
HETATM   18  H   UNK     1       3.844  -1.873  -0.403  1.00  0.00           H  
HETATM   19  H   UNK     1       2.794  -1.538  -1.648  1.00  0.00           H  
HETATM   20  H   UNK     1      -1.359  -2.286   0.044  1.00  0.00           H  
HETATM   21  H   UNK     1      -2.365   1.803   0.741  1.00  0.00           H  
HETATM   22  H   UNK     1      -5.207  -0.991  -0.815  1.00  0.00           H  
HETATM   23  H   UNK     1      -0.225   1.055   1.308  1.00  0.00           H  
HETATM   24  H   UNK     1      -0.042  -1.811   1.734  1.00  0.00           H  
HETATM   25  H   UNK     1       3.348   0.779  -1.592  1.00  0.00           H  
HETATM   26  H   UNK     1       2.674  -0.354   1.161  1.00  0.00           H  
HETATM   27  H   UNK     1       2.399   1.323   0.633  1.00  0.00           H  
HETATM   28  H   UNK     1      -6.060   0.762  -1.601  1.00  0.00           H  
HETATM   29  H   UNK     1      -6.567   0.356   0.056  1.00  0.00           H  
HETATM   30  H   UNK     1      -6.804   2.006  -0.568  1.00  0.00           H  
HETATM   31  H   UNK     1       6.052   2.059   0.384  1.00  0.00           H  
CONECT    1    3    3   17   12                                       
CONECT    2   12   18   19                                            
CONECT    3    1    1                                                 
CONECT    4    5    9    9                                            
CONECT    5    4   20    6    6                                       
CONECT    6    5    5   10    7                                       
CONECT    7    6   21    8    8                                       
CONECT    8    7    7    9   15                                       
CONECT    9    8    4    4   22                                       
CONECT   10    6   14   23   11                                       
CONECT   11   10   24                                                 
CONECT   12    2    1   13   25                                       
CONECT   13   12   26   27   14                                       
CONECT   14   10   13                                                 
CONECT   15    8   16                                                 
CONECT   16   15   28   29   30                                       
CONECT   17    1   31                                                 
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21    7                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
