COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -3.640  -4.836  -7.043  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -3.688  -4.757  -5.331  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.302  -3.805  -4.547  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.132  -4.067  -3.157  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.411  -5.183  -2.985  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.022  -5.786  -1.699  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.802  -6.180   0.891  1.00  0.00           S  
HETATM    8  O   UNL     1      -3.173  -5.435   2.081  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.231  -7.560   0.744  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.084  -6.159   0.759  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.371  -4.939   1.176  1.00  0.00           C  
HETATM   12  C   UNL     1       1.069  -5.245   1.572  1.00  0.00           C  
HETATM   13  C   UNL     1       1.845  -5.145   0.270  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.238  -4.071  -0.051  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.146  -3.420  -0.547  1.00  0.00           O  
HETATM   16  N   UNL     1       1.071  -4.207  -0.510  1.00  0.00           N  
HETATM   17  C   UNL     1       1.596  -3.622  -1.725  1.00  0.00           C  
HETATM   18  C   UNL     1       0.796  -4.016  -2.944  1.00  0.00           C  
HETATM   19  C   UNL     1       1.514  -2.135  -1.491  1.00  0.00           C  
HETATM   20  O   UNL     1       0.993  -1.712  -0.456  1.00  0.00           O  
HETATM   21  N   UNL     1       2.052  -1.319  -2.484  1.00  0.00           N  
HETATM   22  C   UNL     1       2.678  -1.789  -3.724  1.00  0.00           C  
HETATM   23  C   UNL     1       3.963  -1.016  -3.991  1.00  0.00           C  
HETATM   24  O   UNL     1       3.708   0.392  -3.990  1.00  0.00           O  
HETATM   25  C   UNL     1       3.219   0.824  -2.718  1.00  0.00           C  
HETATM   26  C   UNL     1       1.900   0.133  -2.400  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.911  -5.960  -4.392  1.00  0.00           S  
HETATM   28  C   UNL     1      -3.359  -5.304  -0.497  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.850  -2.960  -4.946  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.535  -3.443  -2.368  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.696  -6.593  -0.090  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.921  -4.429   1.970  1.00  0.00           H  
HETATM   33  H   UNL     1       1.201  -6.214   2.062  1.00  0.00           H  
HETATM   34  H   UNL     1       1.424  -4.468   2.260  1.00  0.00           H  
HETATM   35  H   UNL     1       2.861  -4.772   0.421  1.00  0.00           H  
HETATM   36  H   UNL     1       1.872  -6.099  -0.265  1.00  0.00           H  
HETATM   37  H   UNL     1       2.644  -3.899  -1.821  1.00  0.00           H  
HETATM   38  H   UNL     1       0.309  -3.152  -3.410  1.00  0.00           H  
HETATM   39  H   UNL     1       1.448  -4.473  -3.696  1.00  0.00           H  
HETATM   40  H   UNL     1       0.012  -4.737  -2.685  1.00  0.00           H  
HETATM   41  H   UNL     1       1.953  -1.606  -4.526  1.00  0.00           H  
HETATM   42  H   UNL     1       2.879  -2.862  -3.686  1.00  0.00           H  
HETATM   43  H   UNL     1       1.538   0.436  -1.413  1.00  0.00           H  
HETATM   44  H   UNL     1       1.141   0.409  -3.141  1.00  0.00           H  
HETATM   45  H   UNL     1       4.730  -1.244  -3.241  1.00  0.00           H  
HETATM   46  H   UNL     1       4.366  -1.284  -4.973  1.00  0.00           H  
HETATM   47  H   UNL     1       3.075   1.908  -2.763  1.00  0.00           H  
HETATM   48  H   UNL     1       3.974   0.616  -1.951  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.959  -4.415  -0.347  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.433  -6.698  -1.770  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   27                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   27                                       
CONECT    6    5   28   28   50                                       
CONECT    7    8    8    9    9                                       
CONECT    7   10   28                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   31                                            
CONECT   11   10   12   14   32                                       
CONECT   12   11   13   33   34                                       
CONECT   13   12   16   35   36                                       
CONECT   14   11   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   13   14   17                                            
CONECT   17   16   18   19   37                                       
CONECT   18   17   38   39   40                                       
CONECT   19   17   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23   41   42                                       
CONECT   23   22   24   45   46                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   47   48                                       
CONECT   26   21   25   43   44                                       
CONECT   27    2    5                                                 
CONECT   28    6    6    7   49                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50    6                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
