COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.727   0.375  -0.113  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.761  -0.291  -0.078  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.583  -1.104  -0.035  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.694  -2.495  -0.003  1.00  0.00           C  
HETATM    5  C   UNL     1       0.445  -3.271   0.038  1.00  0.00           C  
HETATM    6  C   UNL     1       3.079  -3.288   0.091  1.00  0.00           C  
HETATM    7  N   UNL     1       3.164  -0.904   0.035  1.00  0.00           N  
HETATM    8  C   UNL     1       1.823  -1.297   0.018  1.00  0.00           C  
HETATM    9  C   UNL     1       3.608   0.410   0.013  1.00  0.00           C  
HETATM   10  C   UNL     1       3.159   2.670  -0.053  1.00  0.00           C  
HETATM   11  C   UNL     1       5.371   2.021   0.006  1.00  0.00           C  
HETATM   12  C   UNL     1       4.975   0.697   0.030  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.248  -0.928   0.194  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.970   2.128   1.066  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.938   1.210  -0.158  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.928   2.002  -1.347  1.00  0.00           O  
HETATM   17  C   UNL     1       1.695  -2.678   0.049  1.00  0.00           C  
HETATM   18  C   UNL     1       4.033  -2.083   0.081  1.00  0.00           C  
HETATM   19  C   UNL     1       0.674  -0.508  -0.030  1.00  0.00           C  
HETATM   20  N   UNL     1       2.739   1.414  -0.031  1.00  0.00           N  
HETATM   21  N   UNL     1       2.227   3.693  -0.092  1.00  0.00           N  
HETATM   22  N   UNL     1       4.449   2.972  -0.032  1.00  0.00           N  
HETATM   23 CL   UNL     1       6.150  -0.580   0.080  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -5.159   0.326  -0.154  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.431  -0.561  -1.050  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.543  -1.250  -0.895  1.00  0.00           C  
HETATM   27  S   UNL     1      -6.385   0.356   1.038  1.00  0.00           S  
HETATM   28  H   UNL     1      -1.668  -2.962  -0.011  1.00  0.00           H  
HETATM   29  H   UNL     1       0.362  -4.348   0.063  1.00  0.00           H  
HETATM   30  H   UNL     1       3.210  -3.869   1.004  1.00  0.00           H  
HETATM   31  H   UNL     1       3.246  -3.912  -0.786  1.00  0.00           H  
HETATM   32  H   UNL     1       6.420   2.278   0.019  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.183  -1.373   0.501  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.087   2.768   1.063  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.866   2.747   1.033  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.978   1.525   1.973  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.908   1.485  -2.164  1.00  0.00           H  
HETATM   38  H   UNL     1       4.638  -2.072   0.988  1.00  0.00           H  
HETATM   39  H   UNL     1       4.673  -2.115  -0.801  1.00  0.00           H  
HETATM   40  H   UNL     1       0.761   0.568  -0.059  1.00  0.00           H  
HETATM   41  H   UNL     1       2.522   4.618  -0.104  1.00  0.00           H  
HETATM   42  H   UNL     1       1.280   3.486  -0.107  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.860  -2.013  -1.591  1.00  0.00           H  
CONECT    1   15    2    2    2                                       
CONECT    2    1    1    1    3                                       
CONECT    3    4    2   19   19                                       
CONECT    4    5    5    3   28                                       
CONECT    5    4    4   17   29                                       
CONECT    6   17   18   30   31                                       
CONECT    7    8   18    9                                            
CONECT    8   17   17   19    7                                       
CONECT    9    7   20   20   12                                       
CONECT   10   20   21   22   22                                       
CONECT   11   12   12   22   32                                       
CONECT   12    9   23   11   11                                       
CONECT   13   27   26   26   33                                       
CONECT   14   15   34   35   36                                       
CONECT   15   16   14    1   24                                       
CONECT   16   15   37                                                 
CONECT   17    5    6    8    8                                       
CONECT   18    6    7   38   39                                       
CONECT   19    3    3    8   40                                       
CONECT   20    9    9   10                                            
CONECT   21   10   41   42                                            
CONECT   22   10   10   11                                            
CONECT   23   12                                                      
CONECT   24   15   25   25   27                                       
CONECT   25   24   24   26                                            
CONECT   26   25   13   13   43                                       
CONECT   27   24   13                                                 
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
