COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.490   0.154   0.026  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.318   0.439  -0.575  1.00  0.00           N  
HETATM    3  S   UNL     1      -4.986   0.943  -0.243  1.00  0.00           S  
HETATM    4  C   UNL     1      -1.364  -0.422  -0.091  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.914  -1.210   0.776  1.00  0.00           N  
HETATM    6  N   UNL     1      -3.270  -0.871   0.875  1.00  0.00           N  
HETATM    7  C   UNL     1       0.086  -0.444  -0.501  1.00  0.00           C  
HETATM    8  C   UNL     1       0.735  -1.755  -0.037  1.00  0.00           C  
HETATM    9  O   UNL     1       2.112  -1.738  -0.430  1.00  0.00           O  
HETATM   10  C   UNL     1       2.805  -0.594  -0.180  1.00  0.00           C  
HETATM   11  C   UNL     1       2.141   0.596   0.091  1.00  0.00           C  
HETATM   12  O   UNL     1       0.781   0.643   0.119  1.00  0.00           O  
HETATM   13  C   UNL     1       2.867   1.751   0.339  1.00  0.00           C  
HETATM   14  C   UNL     1       4.249   1.717   0.319  1.00  0.00           C  
HETATM   15  C   UNL     1       4.910   0.533   0.052  1.00  0.00           C  
HETATM   16  C   UNL     1       4.192  -0.621  -0.197  1.00  0.00           C  
HETATM   17  H   UNL     1      -2.173   1.133  -1.238  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.928  -1.295   1.448  1.00  0.00           H  
HETATM   19  H   UNL     1       0.163  -0.360  -1.585  1.00  0.00           H  
HETATM   20  H   UNL     1       0.664  -1.837   1.048  1.00  0.00           H  
HETATM   21  H   UNL     1       0.230  -2.601  -0.504  1.00  0.00           H  
HETATM   22  H   UNL     1       2.353   2.677   0.548  1.00  0.00           H  
HETATM   23  H   UNL     1       4.813   2.618   0.513  1.00  0.00           H  
HETATM   24  H   UNL     1       5.990   0.510   0.037  1.00  0.00           H  
HETATM   25  H   UNL     1       4.711  -1.545  -0.405  1.00  0.00           H  
CONECT    1    3    3    6    2                                       
CONECT    2    1    4   17                                            
CONECT    3    1    1                                                 
CONECT    4    2    5    5    7                                       
CONECT    5    6    4    4                                            
CONECT    6    1    5   18                                            
CONECT    7    4    8   12   19                                       
CONECT    8    7    9   20   21                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   16   16                                       
CONECT   11   12   10   13   13                                       
CONECT   12    7   11                                                 
CONECT   13   11   11   14   22                                       
CONECT   14   13   15   15   23                                       
CONECT   15   16   14   14   24                                       
CONECT   16   10   10   15   25                                       
CONECT   17    2                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22   13                                                      
CONECT   23   14                                                      
CONECT   24   15                                                      
CONECT   25   16                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
