COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.526   3.138   0.275  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.652   0.731  -0.087  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.027   3.240  -0.825  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.625   1.787   0.936  1.00  0.00           C  
HETATM    5  C   UNL     1       0.620   1.541   1.815  1.00  0.00           C  
HETATM    6  C   UNL     1       1.534   0.692   0.893  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.896   5.503   0.289  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.988   4.234   0.910  1.00  0.00           N  
HETATM    9  C   UNL     1       3.570  -0.525   1.062  1.00  0.00           C  
HETATM   10  C   UNL     1       4.511  -1.251   1.778  1.00  0.00           C  
HETATM   11  C   UNL     1       5.680  -1.657   1.166  1.00  0.00           C  
HETATM   12  C   UNL     1       3.805  -0.209  -0.268  1.00  0.00           C  
HETATM   13  C   UNL     1       4.976  -0.618  -0.877  1.00  0.00           C  
HETATM   14  C   UNL     1       5.913  -1.341  -0.161  1.00  0.00           C  
HETATM   15 CL   UNL     1       7.384  -1.853  -0.928  1.00  0.00          Cl  
HETATM   16  O   UNL     1      -1.142  -0.106  -2.356  1.00  0.00           O  
HETATM   17  S   UNL     1      -1.781   0.581  -1.289  1.00  0.00           S  
HETATM   18  C   UNL     1      -3.042  -0.495  -0.689  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.889  -1.865  -0.796  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.878  -2.709  -0.326  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.383   1.860  -1.436  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.180   0.031  -0.106  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.168  -0.812   0.364  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.019  -2.183   0.252  1.00  0.00           C  
HETATM   25 CL   UNL     1      -6.261  -3.243   0.842  1.00  0.00          Cl  
HETATM   26  O   UNL     1       2.416  -0.129   1.661  1.00  0.00           O  
HETATM   27  C   UNL     1       0.496  -0.168   0.131  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.527   1.737   1.545  1.00  0.00           H  
HETATM   29  H   UNL     1       1.101   2.484   2.074  1.00  0.00           H  
HETATM   30  H   UNL     1       0.353   0.986   2.714  1.00  0.00           H  
HETATM   31  H   UNL     1       2.094   1.327   0.207  1.00  0.00           H  
HETATM   32  H   UNL     1       4.329  -1.497   2.814  1.00  0.00           H  
HETATM   33  H   UNL     1       6.413  -2.222   1.723  1.00  0.00           H  
HETATM   34  H   UNL     1       3.074   0.355  -0.827  1.00  0.00           H  
HETATM   35  H   UNL     1       5.160  -0.372  -1.912  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.998  -2.275  -1.247  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.759  -3.779  -0.411  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.296   1.101  -0.019  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.057  -0.401   0.820  1.00  0.00           H  
HETATM   40  H   UNL     1       0.197  -1.025   0.735  1.00  0.00           H  
HETATM   41  H   UNL     1       0.904  -0.500  -0.823  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.253   6.227   0.820  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.384   4.153   1.792  1.00  0.00           H  
CONECT    1    4    3    3    8                                       
CONECT    2    4   27   17                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   28                                       
CONECT    5    4   29   30    6                                       
CONECT    6    5   31   26   27                                       
CONECT    7    8   42                                                 
CONECT    8    7    1   43                                            
CONECT    9   12   10   10   26                                       
CONECT   10    9    9   11   32                                       
CONECT   11   10   14   14   33                                       
CONECT   12    9   13   13   34                                       
CONECT   13   12   12   35   14                                       
CONECT   14   11   11   13   15                                       
CONECT   15   14                                                      
CONECT   16   17   17                                                 
CONECT   17   16   16    2   18                                       
CONECT   17   21   21                                                 
CONECT   18   17   22   19   19                                       
CONECT   19   18   18   36   20                                       
CONECT   20   19   24   24   37                                       
CONECT   21   17   17                                                 
CONECT   22   18   38   23   23                                       
CONECT   23   22   22   39   24                                       
CONECT   24   20   20   23   25                                       
CONECT   25   24                                                      
CONECT   26    6    9                                                 
CONECT   27    2    6   40   41                                       
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   27                                                      
CONECT   41   27                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
