COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -7.053   3.209  -0.614  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -5.457   2.531  -0.538  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.186   1.496   0.341  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.457   3.022  -1.359  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.186   2.483  -1.300  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.912   1.450  -0.417  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.663   0.919  -0.357  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.680   1.474  -1.233  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.917   0.956   0.403  1.00  0.00           C  
HETATM   10  S   UNL     1      -3.572  -0.357   1.526  1.00  0.00           S  
HETATM   11  O   UNL     1      -2.385   0.008   2.218  1.00  0.00           O  
HETATM   12  O   UNL     1      -4.796  -0.654   2.185  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.194  -1.691   0.620  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.161  -2.681   0.140  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.330  -3.711  -0.642  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.907  -3.207  -0.541  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.908  -2.033   0.198  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.728  -3.721  -1.050  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.751  -4.994  -1.855  1.00  0.00           C  
HETATM   20  C   UNL     1       0.469  -3.074  -0.824  1.00  0.00           C  
HETATM   21  C   UNL     1       0.488  -1.894  -0.077  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.701  -1.371   0.424  1.00  0.00           C  
HETATM   23  C   UNL     1       1.766  -1.194   0.169  1.00  0.00           C  
HETATM   24  O   UNL     1       1.781  -0.168   0.820  1.00  0.00           O  
HETATM   25  N   UNL     1       2.915  -1.695  -0.326  1.00  0.00           N  
HETATM   26  C   UNL     1       4.103  -0.980  -0.189  1.00  0.00           C  
HETATM   27  C   UNL     1       4.083   0.410  -0.217  1.00  0.00           C  
HETATM   28  C   UNL     1       5.256   1.120  -0.082  1.00  0.00           C  
HETATM   29 CL   UNL     1       5.231   2.856  -0.117  1.00  0.00          Cl  
HETATM   30  C   UNL     1       5.306  -1.660  -0.018  1.00  0.00           C  
HETATM   31  C   UNL     1       6.482  -0.958   0.119  1.00  0.00           C  
HETATM   32  C   UNL     1       6.468   0.440   0.085  1.00  0.00           C  
HETATM   33  C   UNL     1       7.725   1.195   0.231  1.00  0.00           C  
HETATM   34  O   UNL     1       8.890   0.538   0.397  1.00  0.00           O  
HETATM   35  O   UNL     1       7.712   2.410   0.201  1.00  0.00           O  
HETATM   36  H   UNL     1      -5.969   1.112   0.978  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.671   3.827  -2.047  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.407   2.866  -1.942  1.00  0.00           H  
HETATM   39  H   UNL     1       0.271   0.961  -1.085  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.002   1.348  -2.267  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.558   2.535  -1.017  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.661  -3.161   0.982  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.892  -2.209  -0.516  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.417  -4.697  -0.185  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.648  -3.744  -1.684  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.889  -4.755  -2.910  1.00  0.00           H  
HETATM   47  H   UNL     1       0.192  -5.525  -1.724  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.573  -5.624  -1.515  1.00  0.00           H  
HETATM   49  H   UNL     1       1.388  -3.478  -1.223  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.687  -0.458   1.000  1.00  0.00           H  
HETATM   51  H   UNL     1       2.915  -2.553  -0.779  1.00  0.00           H  
HETATM   52  H   UNL     1       3.148   0.934  -0.346  1.00  0.00           H  
HETATM   53  H   UNL     1       5.317  -2.739   0.009  1.00  0.00           H  
HETATM   54  H   UNL     1       7.414  -1.486   0.252  1.00  0.00           H  
HETATM   55  H   UNL     1       9.689   1.076   0.488  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    4    4    3    1                                       
CONECT    3    9    9    2   36                                       
CONECT    4    5    2    2   37                                       
CONECT    5    6    6    4   38                                       
CONECT    6    7    5    5    9                                       
CONECT    7    8    6                                                 
CONECT    8    7   39   40   41                                       
CONECT    9    6   10    3    3                                       
CONECT   10   12   12    9   13                                       
CONECT   10   11   11                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   14   10   17                                            
CONECT   14   15   13   42   43                                       
CONECT   15   14   16   44   45                                       
CONECT   16   15   17   17   18                                       
CONECT   17   13   16   16   22                                       
CONECT   18   16   19   20   20                                       
CONECT   19   18   46   47   48                                       
CONECT   20   18   18   21   49                                       
CONECT   21   22   22   20   23                                       
CONECT   22   17   21   21   50                                       
CONECT   23   21   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   51                                            
CONECT   26   25   30   30   27                                       
CONECT   27   26   28   28   52                                       
CONECT   28   27   27   32   29                                       
CONECT   29   28                                                      
CONECT   30   26   26   31   53                                       
CONECT   31   30   32   32   54                                       
CONECT   32   31   31   28   33                                       
CONECT   33   32   35   35   34                                       
CONECT   34   33   55                                                 
CONECT   35   33   33                                                 
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   34                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
