COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.237   1.362  -0.049  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.890  -0.455  -1.502  1.00  0.00           C  
HETATM    3  C   UNL     1       1.701  -3.886   1.167  1.00  0.00           C  
HETATM    4  C   UNL     1       2.327  -2.650   0.572  1.00  0.00           C  
HETATM    5  C   UNL     1       2.008  -1.404   1.078  1.00  0.00           C  
HETATM    6  C   UNL     1       2.585  -0.265   0.529  1.00  0.00           C  
HETATM    7  C   UNL     1       3.481  -0.384  -0.526  1.00  0.00           C  
HETATM    8  C   UNL     1       3.795  -1.634  -1.027  1.00  0.00           C  
HETATM    9  C   UNL     1       3.223  -2.765  -0.474  1.00  0.00           C  
HETATM   10 CL   UNL     1       4.204   1.035  -1.216  1.00  0.00          Cl  
HETATM   11  N   UNL     1       2.265   0.997   1.038  1.00  0.00           N  
HETATM   12  S   UNL     1       1.373   2.055   0.127  1.00  0.00           S  
HETATM   13  O   UNL     1       1.954   2.056  -1.169  1.00  0.00           O  
HETATM   14  O   UNL     1       1.221   3.230   0.912  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.639   0.634  -1.061  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.971   0.281  -0.811  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.138  -0.618  -0.975  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.440  -0.025   0.259  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.526   0.681   0.900  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.300   0.845   0.389  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.227   1.494   0.826  1.00  0.00           N  
HETATM   22  O   UNL     1      -5.675  -0.177   0.796  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.916   0.453   2.056  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.568  -1.015  -2.690  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.587  -1.770  -3.349  1.00  0.00           C  
HETATM   26 CL   UNL     1       0.888  -1.262   2.397  1.00  0.00          Cl  
HETATM   27  H   UNL     1       2.326  -4.253   1.981  1.00  0.00           H  
HETATM   28  H   UNL     1       0.710  -3.643   1.550  1.00  0.00           H  
HETATM   29  H   UNL     1       1.616  -4.655   0.399  1.00  0.00           H  
HETATM   30  H   UNL     1       4.491  -1.727  -1.847  1.00  0.00           H  
HETATM   31  H   UNL     1       3.474  -3.740  -0.865  1.00  0.00           H  
HETATM   32  H   UNL     1       2.565   1.254   1.924  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.883  -1.196  -1.501  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.223   0.058   2.799  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.770   1.529   1.958  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.940   0.253   2.372  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.444  -1.126  -3.550  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.199  -2.162  -4.289  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.896  -2.597  -2.710  1.00  0.00           H  
CONECT    1   12   15   15   21                                       
CONECT    2   24   16   17   17                                       
CONECT    3    4   27   28   29                                       
CONECT    4    3    5    5    9                                       
CONECT    5   26    4    4    6                                       
CONECT    6    5   11    7    7                                       
CONECT    7    6    6    8   10                                       
CONECT    8    9    9    7   30                                       
CONECT    9    4    8    8   31                                       
CONECT   10    7                                                      
CONECT   11   12    6   32                                            
CONECT   12   14   14   13   13                                       
CONECT   12    1   11                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15    1    1   16                                            
CONECT   16   15    2   20                                            
CONECT   17    2    2   18   33                                       
CONECT   18   17   19   19   22                                       
CONECT   19   20   18   18                                            
CONECT   20   16   21   21   19                                       
CONECT   21    1   20   20                                            
CONECT   22   18   23                                                 
CONECT   23   22   34   35   36                                       
CONECT   24   25    2                                                 
CONECT   25   24   37   38   39                                       
CONECT   26    5                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   17                                                      
CONECT   34   23                                                      
CONECT   35   23                                                      
CONECT   36   23                                                      
CONECT   37   25                                                      
CONECT   38   25                                                      
CONECT   39   25                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
