COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       3.380  -1.793   0.653  1.00  0.00           S  
HETATM    2  C   UNL     1       4.693   0.731   0.874  1.00  0.00           C  
HETATM    3  C   UNL     1       5.635   1.240  -0.219  1.00  0.00           C  
HETATM    4  C   UNL     1       4.025   1.921   1.565  1.00  0.00           C  
HETATM    5  C   UNL     1       3.637  -0.149   0.257  1.00  0.00           C  
HETATM    6  C   UNL     1       1.935  -0.672  -1.078  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.369   1.565  -1.345  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.530   2.099   0.285  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.585   1.351   0.757  1.00  0.00           C  
HETATM   10  C   UNL     1       5.492  -0.073   1.901  1.00  0.00           C  
HETATM   11  N   UNL     1       2.796   0.228  -0.645  1.00  0.00           N  
HETATM   12  C   UNL     1       0.899  -0.369  -2.130  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.284   0.217  -1.495  1.00  0.00           N  
HETATM   14  N   UNL     1      -1.381   2.159  -0.790  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.441   1.460  -0.313  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.582  -0.034   0.644  1.00  0.00           C  
HETATM   17 CL   UNL     1      -5.928  -0.950   1.247  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -3.518  -0.687   0.058  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.441   0.052  -0.425  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.282  -0.589  -1.064  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.219  -1.798  -1.191  1.00  0.00           O  
HETATM   22  C   UNL     1       2.058  -1.875  -0.509  1.00  0.00           C  
HETATM   23  H   UNL     1       6.399   1.877   0.227  1.00  0.00           H  
HETATM   24  H   UNL     1       6.111   0.392  -0.712  1.00  0.00           H  
HETATM   25  H   UNL     1       5.066   1.813  -0.951  1.00  0.00           H  
HETATM   26  H   UNL     1       3.354   1.559   2.344  1.00  0.00           H  
HETATM   27  H   UNL     1       4.789   2.558   2.011  1.00  0.00           H  
HETATM   28  H   UNL     1       3.456   2.494   0.833  1.00  0.00           H  
HETATM   29  H   UNL     1       0.449   2.173  -1.703  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.544   3.175   0.378  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.426   1.847   1.219  1.00  0.00           H  
HETATM   32  H   UNL     1       4.821  -0.436   2.680  1.00  0.00           H  
HETATM   33  H   UNL     1       5.968  -0.921   1.409  1.00  0.00           H  
HETATM   34  H   UNL     1       6.255   0.564   2.347  1.00  0.00           H  
HETATM   35  H   UNL     1       1.311   0.335  -2.853  1.00  0.00           H  
HETATM   36  H   UNL     1       0.619  -1.291  -2.640  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.521  -1.764  -0.026  1.00  0.00           H  
HETATM   38  H   UNL     1       1.453  -2.744  -0.724  1.00  0.00           H  
CONECT    1    5   22                                                 
CONECT    2    3   10    4    5                                       
CONECT    3    2   23   24   25                                       
CONECT    4    2   26   27   28                                       
CONECT    5    2   11   11    1                                       
CONECT    6   11   12   22   22                                       
CONECT    7   14   14   13   29                                       
CONECT    8    9    9   15   30                                       
CONECT    9    8    8   16   31                                       
CONECT   10    2   32   33   34                                       
CONECT   11    5    5    6                                            
CONECT   12   13    6   35   36                                       
CONECT   13    7   20   12                                            
CONECT   14   15    7    7                                            
CONECT   15    8   14   19   19                                       
CONECT   16    9   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   37                                       
CONECT   19   15   15   18   20                                       
CONECT   20   19   13   21   21                                       
CONECT   21   20   20                                                 
CONECT   22    1    6    6   38                                       
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   18                                                      
CONECT   38   22                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
