COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       4.588   0.862  -0.309  1.00  0.00           S  
HETATM    2  O   UNL     1       4.547   1.442  -1.605  1.00  0.00           O  
HETATM    3  O   UNL     1       5.598  -0.017   0.168  1.00  0.00           O  
HETATM    4  N   UNL     1       4.558   2.132   0.754  1.00  0.00           N  
HETATM    5  N   UNL     1       2.047   0.222   0.671  1.00  0.00           N  
HETATM    6  N   UNL     1       1.017  -0.506   0.676  1.00  0.00           N  
HETATM    7  S   UNL     1       2.473  -1.472  -0.976  1.00  0.00           S  
HETATM    8  C   UNL     1       3.068  -0.012  -0.128  1.00  0.00           C  
HETATM    9  C   UNL     1       0.903  -1.562  -0.119  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.135  -2.472  -0.252  1.00  0.00           N  
HETATM   11  S   UNL     1      -1.495  -2.318   0.682  1.00  0.00           S  
HETATM   12  O   UNL     1      -2.370  -3.357   0.263  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.031  -2.119   2.010  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.229  -0.810  -0.791  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.958   0.365   0.867  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.850   0.370  -1.156  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.524   1.555  -0.506  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.570   1.550   0.503  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.284  -0.812   0.219  1.00  0.00           C  
HETATM   20  F   UNL     1      -4.773   0.371  -2.143  1.00  0.00           F  
HETATM   21 CL   UNL     1      -2.159   3.026   1.318  1.00  0.00          Cl  
HETATM   22  N   UNL     1      -4.150   2.752  -0.872  1.00  0.00           N  
HETATM   23  H   UNL     1       3.785   2.269   1.324  1.00  0.00           H  
HETATM   24  H   UNL     1       5.313   2.738   0.806  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.066  -3.197  -0.891  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.481  -1.731  -1.295  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.220   0.359   1.656  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.813   2.755  -1.580  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.925   3.577  -0.416  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4    8                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1   23   24                                            
CONECT    5    6    8    8                                            
CONECT    6    5    9    9                                            
CONECT    7    8    9                                                 
CONECT    8    1    5    5    7                                       
CONECT    9    6    6    7   10                                       
CONECT   10    9   11   25                                            
CONECT   11   10   12   12   13                                       
CONECT   11   13   19                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   16   19   19   26                                       
CONECT   15   18   18   19   27                                       
CONECT   16   14   17   17   20                                       
CONECT   17   16   16   18   22                                       
CONECT   18   15   15   17   21                                       
CONECT   19   11   14   14   15                                       
CONECT   20   16                                                      
CONECT   21   18                                                      
CONECT   22   17   28   29                                            
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25   10                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28   22                                                      
CONECT   29   22                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
