COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.404   1.901  -0.039  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.672  -1.525   0.373  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.227  -1.816  -0.035  1.00  0.00           C  
HETATM    4  C   UNL     1       0.893  -0.939  -0.119  1.00  0.00           C  
HETATM    5  C   UNL     1       1.247   1.415   0.720  1.00  0.00           C  
HETATM    6  C   UNL     1       3.381   1.672   0.429  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.427  -0.292  -1.687  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.323  -1.682   0.388  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.378  -0.968  -0.738  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.502  -0.583  -0.235  1.00  0.00           O  
HETATM   11  O   UNL     1       1.906  -2.970   0.789  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.446  -3.944   0.882  1.00  0.00           O  
HETATM   13  S   UNL     1      -4.834  -0.637  -0.443  1.00  0.00           S  
HETATM   14 CL   UNL     1       6.469  -1.031  -1.215  1.00  0.00          Cl  
HETATM   15  C   UNL     1       5.254   0.029  -0.570  1.00  0.00           C  
HETATM   16  N   UNL     1       5.612   1.234  -0.163  1.00  0.00           N  
HETATM   17  C   UNL     1       4.721   2.084   0.338  1.00  0.00           C  
HETATM   18  N   UNL     1       5.105   3.344   0.761  1.00  0.00           N  
HETATM   19  N   UNL     1       4.010  -0.399  -0.503  1.00  0.00           N  
HETATM   20  C   UNL     1       3.050   0.381  -0.016  1.00  0.00           C  
HETATM   21  N   UNL     1       2.234   2.251   0.862  1.00  0.00           N  
HETATM   22  N   UNL     1       1.700   0.245   0.185  1.00  0.00           N  
HETATM   23  C   UNL     1       0.948  -1.943   1.054  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.478  -2.533   1.110  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.847   0.738   0.479  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.995   1.940  -1.180  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.422   3.154   0.798  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.892   4.276   0.011  1.00  0.00           N  
HETATM   29  H   UNL     1      -3.156  -2.451   0.684  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.680  -0.815   1.201  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.204  -2.422  -0.941  1.00  0.00           H  
HETATM   32  H   UNL     1       1.242  -1.409  -1.038  1.00  0.00           H  
HETATM   33  H   UNL     1       0.221   1.616   0.990  1.00  0.00           H  
HETATM   34  H   UNL     1       1.981  -3.628   1.493  1.00  0.00           H  
HETATM   35  H   UNL     1       0.013  -4.443   1.571  1.00  0.00           H  
HETATM   36  H   UNL     1       4.446   3.955   1.125  1.00  0.00           H  
HETATM   37  H   UNL     1       6.033   3.617   0.693  1.00  0.00           H  
HETATM   38  H   UNL     1       1.188  -1.429   1.985  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.946  -2.312   2.069  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.174   0.707   1.392  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.445   3.374   1.101  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.804   3.008   1.684  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.893   5.128   0.551  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.967   4.069  -0.336  1.00  0.00           H  
CONECT    1   26   26   27   25                                       
CONECT    2    9    3   29   30                                       
CONECT    3    2   10   24   31                                       
CONECT    4   22   10   23   32                                       
CONECT    5   21   21   22   33                                       
CONECT    6   21   17   17   20                                       
CONECT    7   13   13                                                 
CONECT    8   13   13                                                 
CONECT    9   13    2                                                 
CONECT   10    3    4                                                 
CONECT   11   23   34                                                 
CONECT   12   24   35                                                 
CONECT   13    8    8    7    7                                       
CONECT   13   25    9                                                 
CONECT   14   15                                                      
CONECT   15   16   16   19   14                                       
CONECT   16   17   15   15                                            
CONECT   17   18    6    6   16                                       
CONECT   18   17   36   37                                            
CONECT   19   20   20   15                                            
CONECT   20    6   22   19   19                                       
CONECT   21    6    5    5                                            
CONECT   22    5   20    4                                            
CONECT   23   24    4   11   38                                       
CONECT   24    3   23   12   39                                       
CONECT   25    1   13   40                                            
CONECT   26    1    1                                                 
CONECT   27   28    1   41   42                                       
CONECT   28   27   43   44                                            
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
