COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.930  -0.745   0.007  1.00  0.00           C  
HETATM    2  O   UNL     1       3.342   1.000   0.012  1.00  0.00           O  
HETATM    3  O   UNL     1      -4.722  -0.907  -0.015  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.333   1.025  -0.012  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.075   1.584  -0.004  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.371  -1.177  -0.016  1.00  0.00           C  
HETATM    7  N   UNL     1       0.115  -1.258  -0.013  1.00  0.00           N  
HETATM    8  N   UNL     1       2.475  -1.042  -0.004  1.00  0.00           N  
HETATM    9  S   UNL     1       0.772   1.170   0.004  1.00  0.00           S  
HETATM   10  C   UNL     1       3.526  -0.198   0.005  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.478  -0.359  -0.015  1.00  0.00           C  
HETATM   12  C   UNL     1       1.184  -0.539  -0.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.073  -0.622  -0.014  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.945   0.770  -0.005  1.00  0.00           C  
HETATM   15  H   UNL     1       5.265  -0.883   1.035  1.00  0.00           H  
HETATM   16  H   UNL     1       4.948  -1.703  -0.513  1.00  0.00           H  
HETATM   17  H   UNL     1       5.594  -0.044  -0.500  1.00  0.00           H  
HETATM   18  H   UNL     1      -5.082  -1.067   0.868  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.206   1.660  -0.012  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.964   2.658   0.002  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.496  -2.249  -0.017  1.00  0.00           H  
HETATM   22  H   UNL     1       2.622  -2.000  -0.009  1.00  0.00           H  
CONECT    1   10   15   16   17                                       
CONECT    2   10   10                                                 
CONECT    3   11   18                                                 
CONECT    4    5    5   11   19                                       
CONECT    5    4    4   14   20                                       
CONECT    6   13   11   11   21                                       
CONECT    7   12   12   13                                            
CONECT    8   10   12   22                                            
CONECT    9   12   14                                                 
CONECT   10    1    2    2    8                                       
CONECT   11    3    4    6    6                                       
CONECT   12    7    7    8    9                                       
CONECT   13    6    7   14   14                                       
CONECT   14    5    9   13   13                                       
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    8                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
