COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.658   0.444  -0.094  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.306  -0.738  -0.076  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.698  -0.768  -0.008  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.799  -1.780  -0.535  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.779   0.146   0.735  1.00  0.00           C  
HETATM    6  C   UNL     1       3.587   0.539   0.028  1.00  0.00           C  
HETATM    7  C   UNL     1       2.875   1.723  -0.030  1.00  0.00           C  
HETATM    8  C   UNL     1       1.494   1.700  -0.070  1.00  0.00           C  
HETATM    9  C   UNL     1       0.819   0.477  -0.052  1.00  0.00           C  
HETATM   10  C   UNL     1       1.546  -0.714   0.007  1.00  0.00           C  
HETATM   11  C   UNL     1       2.924  -0.675   0.047  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.423  -1.786  -0.627  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.402   0.215   0.686  1.00  0.00           C  
HETATM   14  N   UNL     1       3.695  -1.937   0.103  1.00  0.00           N1+
HETATM   15  N   UNL     1      -5.429  -0.828   0.127  1.00  0.00           N  
HETATM   16  O   UNL     1       3.114  -3.007   0.119  1.00  0.00           O1-
HETATM   17  O   UNL     1       4.913  -1.906   0.133  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.288   1.482  -0.150  1.00  0.00           O  
HETATM   19 CL   UNL     1       0.600   3.187  -0.143  1.00  0.00          Cl  
HETATM   20  H   UNL     1      -0.804  -1.567  -0.111  1.00  0.00           H  
HETATM   21  H   UNL     1      -5.369  -2.565  -1.011  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.332   0.904   1.270  1.00  0.00           H  
HETATM   23  H   UNL     1       4.667   0.562   0.055  1.00  0.00           H  
HETATM   24  H   UNL     1       3.399   2.667  -0.044  1.00  0.00           H  
HETATM   25  H   UNL     1       1.030  -1.663   0.022  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.914  -2.568  -1.170  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.876   1.020   1.179  1.00  0.00           H  
CONECT    1   18   18    2    9                                       
CONECT    2    3    1   20                                            
CONECT    3   13   12   12    2                                       
CONECT    4   15   15   12   21                                       
CONECT    5   13   13   15   22                                       
CONECT    6    7    7   11   23                                       
CONECT    7    8    6    6   24                                       
CONECT    8    9    9    7   19                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9   11   11   25                                       
CONECT   11   10   10    6   14                                       
CONECT   12    3    3    4   26                                       
CONECT   13    5    5    3   27                                       
CONECT   14   11   17   17   16                                       
CONECT   15    5    4    4                                            
CONECT   16   14                                                      
CONECT   17   14   14                                                 
CONECT   18    1    1                                                 
CONECT   19    8                                                      
CONECT   20    2                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
