COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.324  -2.329   0.946  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.422  -0.342   0.069  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.113  -2.043  -0.516  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.764   0.142   0.498  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.153  -1.052  -1.028  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.710  -3.520   1.332  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.407   0.019  -0.069  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.579   1.085  -0.349  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.118   1.527  -1.375  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.817   1.433   0.035  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.490   0.910   0.319  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.813   1.749   1.151  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.088   0.929  -0.226  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.128   1.149  -1.738  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.132   0.243  -2.445  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.439  -1.231  -2.215  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.701  -1.519  -0.745  1.00  0.00           C  
HETATM   18  S   UNL     1       0.655  -0.440   1.326  1.00  0.00           S  
HETATM   19  O   UNL     1       0.317   0.607   2.226  1.00  0.00           O  
HETATM   20  O   UNL     1       0.702  -1.808   1.708  1.00  0.00           O  
HETATM   21  C   UNL     1       2.247  -0.048   0.681  1.00  0.00           C  
HETATM   22  C   UNL     1       2.687   1.262   0.676  1.00  0.00           C  
HETATM   23  C   UNL     1       3.937   1.570   0.169  1.00  0.00           C  
HETATM   24 CL   UNL     1       4.490   3.216   0.163  1.00  0.00          Cl  
HETATM   25  C   UNL     1       4.747   0.567  -0.332  1.00  0.00           C  
HETATM   26  C   UNL     1       4.306  -0.745  -0.326  1.00  0.00           C  
HETATM   27 CL   UNL     1       5.320  -2.005  -0.955  1.00  0.00          Cl  
HETATM   28  C   UNL     1       3.057  -1.052   0.185  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.153  -1.554   1.678  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.225  -2.985  -1.071  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.242  -0.837   0.514  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.699   0.531   1.514  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.831  -0.636  -1.983  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.094  -1.593  -1.207  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.876  -4.297   0.600  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.861  -3.725   2.381  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.302   2.040  -0.541  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.523   1.747   0.245  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.130   0.968  -2.119  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.864   2.192  -1.951  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.162   0.449  -3.516  1.00  0.00           H  
HETATM   42  H   UNL     1       0.872   0.459  -2.075  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.314  -1.512  -2.800  1.00  0.00           H  
HETATM   44  H   UNL     1       0.412  -1.828  -2.547  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.004  -2.304  -0.436  1.00  0.00           H  
HETATM   46  H   UNL     1       2.055   2.046   1.067  1.00  0.00           H  
HETATM   47  H   UNL     1       5.722   0.807  -0.728  1.00  0.00           H  
HETATM   48  H   UNL     1       2.713  -2.076   0.190  1.00  0.00           H  
CONECT    1    6    6    3   29                                       
CONECT    2   18   17   13                                            
CONECT    3    1    5   17   30                                       
CONECT    4    8    7   31   32                                       
CONECT    5    7    3   33   34                                       
CONECT    6    1    1   35   36                                       
CONECT    7    5    4   11                                            
CONECT    8    9    9   10    4                                       
CONECT    9    8    8                                                 
CONECT   10    8   37                                                 
CONECT   11    7   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11    2   14   38                                       
CONECT   14   13   15   39   40                                       
CONECT   15   16   14   41   42                                       
CONECT   16   17   15   43   44                                       
CONECT   17    3    2   16   45                                       
CONECT   18   21    2   19   19                                       
CONECT   18   20   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   22   22   28   18                                       
CONECT   22   23   21   21   46                                       
CONECT   23   24   25   25   22                                       
CONECT   24   23                                                      
CONECT   25   23   23   26   47                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26                                                      
CONECT   28   26   26   21   48                                       
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   22                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
