COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      33.728  10.715  65.998  1.00  0.00           N  
HETATM    2  S   UNL     1      33.390  10.423  64.460  1.00  0.00           S  
HETATM    3  O   UNL     1      33.162  11.688  63.811  1.00  0.00           O  
HETATM    4  O   UNL     1      34.420   9.550  63.949  1.00  0.00           O  
HETATM    5  C   UNL     1      31.874   9.519  64.405  1.00  0.00           C  
HETATM    6  C   UNL     1      30.673  10.196  64.254  1.00  0.00           C  
HETATM    7  C   UNL     1      29.493   9.486  64.202  1.00  0.00           C  
HETATM    8  C   UNL     1      29.499   8.095  64.310  1.00  0.00           C  
HETATM    9  N   UNL     1      28.295   7.375  64.267  1.00  0.00           N  
HETATM   10  C   UNL     1      28.036   6.005  64.384  1.00  0.00           C  
HETATM   11  C   UNL     1      28.765   5.159  65.209  1.00  0.00           C  
HETATM   12  N   UNL     1      28.496   3.855  65.306  1.00  0.00           N  
HETATM   13  C   UNL     1      27.479   3.399  64.571  1.00  0.00           C  
HETATM   14  C   UNL     1      26.759   4.254  63.764  1.00  0.00           C  
HETATM   15 CL   UNL     1      25.445   3.636  62.815  1.00  0.00          Cl  
HETATM   16  N   UNL     1      27.011   5.558  63.641  1.00  0.00           N  
HETATM   17  C   UNL     1      30.711   7.429  64.473  1.00  0.00           C  
HETATM   18  C   UNL     1      31.891   8.139  64.522  1.00  0.00           C  
HETATM   19  H   UNL     1      34.719  10.776  66.116  1.00  0.00           H  
HETATM   20  H   UNL     1      33.306  11.579  66.274  1.00  0.00           H  
HETATM   21  H   UNL     1      30.663  11.273  64.178  1.00  0.00           H  
HETATM   22  H   UNL     1      32.829   7.620  64.652  1.00  0.00           H  
HETATM   23  H   UNL     1      28.557  10.010  64.077  1.00  0.00           H  
HETATM   24  H   UNL     1      27.481   7.939  64.129  1.00  0.00           H  
HETATM   25  H   UNL     1      30.726   6.353  64.561  1.00  0.00           H  
HETATM   26  H   UNL     1      29.576   5.569  65.791  1.00  0.00           H  
HETATM   27  H   UNL     1      27.218   2.352  64.609  1.00  0.00           H  
CONECT    1    2   19   20                                            
CONECT    2    1    3    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   18   18                                       
CONECT    6    5    7    7   21                                       
CONECT    7    6    6    8   23                                       
CONECT    8    7    9   17   17                                       
CONECT    9    8   10   24                                            
CONECT   10    9   11   16   16                                       
CONECT   11   10   12   12   26                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   14   27                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14                                                      
CONECT   16   10   10   14                                            
CONECT   17    8    8   18   25                                       
CONECT   18    5    5   17   22                                       
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    6                                                      
CONECT   22   18                                                      
CONECT   23    7                                                      
CONECT   24    9                                                      
CONECT   25   17                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
