COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -4.866  -3.022   0.729  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -4.905  -1.287   0.665  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.710  -0.557   0.689  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.419  -1.255   0.768  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.426  -0.945  -0.102  1.00  0.00           C  
HETATM    6  S   UNL     1      -1.452   0.262  -1.404  1.00  0.00           S  
HETATM    7  C   UNL     1       0.207  -0.067  -1.934  1.00  0.00           C  
HETATM    8  N   UNL     1       0.686  -1.031  -1.139  1.00  0.00           N  
HETATM    9  C   UNL     1       2.050  -1.531  -1.326  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.080  -1.526  -0.181  1.00  0.00           C  
HETATM   11  O   UNL     1       0.302  -2.399   0.576  1.00  0.00           O  
HETATM   12  S   UNL     1       1.038   0.701  -3.218  1.00  0.00           S  
HETATM   13  C   UNL     1      -3.752   0.842   0.637  1.00  0.00           C  
HETATM   14 CL   UNL     1      -2.279   1.760   0.665  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -4.970   1.489   0.561  1.00  0.00           C  
HETATM   16 CL   UNL     1      -5.027   3.223   0.495  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -6.146   0.758   0.538  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.113  -0.624   0.584  1.00  0.00           C  
HETATM   19  H   UNL     1      -2.261  -2.014   1.520  1.00  0.00           H  
HETATM   20  H   UNL     1       2.099  -2.576  -1.020  1.00  0.00           H  
HETATM   21  H   UNL     1       2.328  -1.446  -2.376  1.00  0.00           H  
HETATM   22  H   UNL     1      -7.095   1.270   0.479  1.00  0.00           H  
HETATM   23  H   UNL     1      -7.035  -1.186   0.565  1.00  0.00           H  
HETATM   24  C   UNL     1       3.002  -0.717  -0.487  1.00  0.00           C  
HETATM   25  N   UNL     1       4.320  -0.999  -0.499  1.00  0.00           N  
HETATM   26  H   UNL     1       4.647  -1.769  -0.989  1.00  0.00           H  
HETATM   27  N   UNL     1       5.195  -0.199   0.180  1.00  0.00           N  
HETATM   28  C   UNL     1       6.252   0.300  -0.711  1.00  0.00           C  
HETATM   29  C   UNL     1       7.163   1.252   0.066  1.00  0.00           C  
HETATM   30  N   UNL     1       7.740   0.544   1.218  1.00  0.00           N  
HETATM   31  C   UNL     1       6.683   0.045   2.109  1.00  0.00           C  
HETATM   32  C   UNL     1       5.772  -0.907   1.331  1.00  0.00           C  
HETATM   33  C   UNL     1       8.681   1.404   1.948  1.00  0.00           C  
HETATM   34  O   UNL     1       2.582   0.191   0.199  1.00  0.00           O  
HETATM   35  H   UNL     1       6.838  -0.540  -1.085  1.00  0.00           H  
HETATM   36  H   UNL     1       5.801   0.831  -1.549  1.00  0.00           H  
HETATM   37  H   UNL     1       7.965   1.601  -0.585  1.00  0.00           H  
HETATM   38  H   UNL     1       6.583   2.105   0.418  1.00  0.00           H  
HETATM   39  H   UNL     1       7.134  -0.486   2.947  1.00  0.00           H  
HETATM   40  H   UNL     1       6.097   0.885   2.483  1.00  0.00           H  
HETATM   41  H   UNL     1       4.970  -1.256   1.982  1.00  0.00           H  
HETATM   42  H   UNL     1       6.352  -1.760   0.980  1.00  0.00           H  
HETATM   43  H   UNL     1       8.159   2.290   2.308  1.00  0.00           H  
HETATM   44  H   UNL     1       9.093   0.855   2.795  1.00  0.00           H  
HETATM   45  H   UNL     1       9.490   1.705   1.282  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   18    3    3    1                                       
CONECT    3   13    2    2    4                                       
CONECT    4    3    5    5   19                                       
CONECT    5    6    4    4   10                                       
CONECT    6    5    7                                                 
CONECT    7    6   12   12    8                                       
CONECT    8    7   10    9                                            
CONECT    9    8   20   21   24                                       
CONECT   10    5    8   11   11                                       
CONECT   11   10   10                                                 
CONECT   12    7    7                                                 
CONECT   13   14   15   15    3                                       
CONECT   14   13                                                      
CONECT   15   16   13   13   17                                       
CONECT   16   15                                                      
CONECT   17   15   18   18   22                                       
CONECT   18   17   17    2   23                                       
CONECT   19    4                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   17                                                      
CONECT   23   18                                                      
CONECT   24    9   25   34   34                                       
CONECT   25   24   26   27                                            
CONECT   26   25                                                      
CONECT   27   25   28   32                                            
CONECT   28   27   29   35   36                                       
CONECT   29   28   30   37   38                                       
CONECT   30   29   31   33                                            
CONECT   31   30   32   39   40                                       
CONECT   32   31   27   41   42                                       
CONECT   33   30   43   44   45                                       
CONECT   34   24   24                                                 
CONECT   35   28                                                      
CONECT   36   28                                                      
CONECT   37   29                                                      
CONECT   38   29                                                      
CONECT   39   31                                                      
CONECT   40   31                                                      
CONECT   41   32                                                      
CONECT   42   32                                                      
CONECT   43   33                                                      
CONECT   44   33                                                      
CONECT   45   33                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
