COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.048   0.468  -0.700  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.610  -1.770   0.104  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.729   1.135  -0.489  1.00  0.00           C  
HETATM    4  C   UNL     1       4.376   0.339  -0.958  1.00  0.00           C  
HETATM    5  C   UNL     1       3.616   1.510  -0.331  1.00  0.00           C  
HETATM    6  C   UNL     1       1.379   1.975   0.516  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.037   1.554   0.812  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.798   2.726   1.436  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.227   2.290   1.768  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.944   1.879   0.477  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.693  -0.326  -0.557  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.141  -0.546  -0.381  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.400   0.259  -0.535  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.863  -0.962  -0.057  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.964  -1.976   0.257  1.00  0.00           C  
HETATM   16  N   UNL     1       2.239   1.100  -0.043  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.142   0.852  -0.203  1.00  0.00           N  
HETATM   18  O   UNL     1      -8.195  -1.165   0.105  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.996  -1.207  -1.022  1.00  0.00           O  
HETATM   20  O   UNL     1       1.745   3.101   0.779  1.00  0.00           O  
HETATM   21  S   UNL     1       6.080   0.845  -1.316  1.00  0.00           S  
HETATM   22 CL   UNL     1      -7.527   1.521  -0.923  1.00  0.00          Cl  
HETATM   23 CL   UNL     1      -6.547  -3.496   0.858  1.00  0.00          Cl  
HETATM   24  H   UNL     1      -4.689   1.417  -1.070  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.912  -2.558   0.347  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.658   1.942  -1.217  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.251   0.240  -0.887  1.00  0.00           H  
HETATM   28  H   UNL     1       4.384  -0.502  -0.264  1.00  0.00           H  
HETATM   29  H   UNL     1       3.884   0.041  -1.884  1.00  0.00           H  
HETATM   30  H   UNL     1       4.108   1.808   0.594  1.00  0.00           H  
HETATM   31  H   UNL     1       3.607   2.350  -1.025  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.029   0.714   1.507  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.294   3.042   2.349  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.827   3.557   0.730  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.199   1.443   2.454  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.762   3.118   2.233  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.927   1.474   0.719  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.053   2.747  -0.172  1.00  0.00           H  
HETATM   39  H   UNL     1       1.947   0.200  -0.254  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.636  -1.527  -0.676  1.00  0.00           H  
HETATM   41  S   UNL     1       6.909   1.025   0.551  1.00  0.00           S  
HETATM   42  C   UNL     1       7.430  -0.671   0.930  1.00  0.00           C  
HETATM   43  C   UNL     1       8.614  -1.052   0.039  1.00  0.00           C  
HETATM   44  N   UNL     1       9.037  -2.425   0.346  1.00  0.00           N  
HETATM   45  C   UNL     1       7.995  -3.392  -0.025  1.00  0.00           C  
HETATM   46  C   UNL     1      10.310  -2.744  -0.313  1.00  0.00           C  
HETATM   47  H   UNL     1       7.728  -0.734   1.977  1.00  0.00           H  
HETATM   48  H   UNL     1       6.602  -1.356   0.746  1.00  0.00           H  
HETATM   49  H   UNL     1       8.316  -0.989  -1.007  1.00  0.00           H  
HETATM   50  H   UNL     1       9.442  -0.367   0.223  1.00  0.00           H  
HETATM   51  H   UNL     1       7.795  -3.318  -1.094  1.00  0.00           H  
HETATM   52  H   UNL     1       8.333  -4.400   0.213  1.00  0.00           H  
HETATM   53  H   UNL     1       7.083  -3.174   0.531  1.00  0.00           H  
HETATM   54  H   UNL     1      11.081  -2.056   0.033  1.00  0.00           H  
HETATM   55  H   UNL     1      10.599  -3.766  -0.069  1.00  0.00           H  
HETATM   56  H   UNL     1      10.194  -2.647  -1.393  1.00  0.00           H  
CONECT    1   12   12   13   24                                       
CONECT    2   15   15   12   25                                       
CONECT    3    7   17   26   27                                       
CONECT    4    5   21   28   29                                       
CONECT    5    4   16   30   31                                       
CONECT    6   16   20   20    7                                       
CONECT    7    6    8    3   32                                       
CONECT    8    7    9   33   34                                       
CONECT    9    8   10   35   36                                       
CONECT   10    9   17   37   38                                       
CONECT   11   17   19   19   12                                       
CONECT   12   11    2    1    1                                       
CONECT   13   14   14    1   22                                       
CONECT   14   15   18   13   13                                       
CONECT   15   23    2    2   14                                       
CONECT   16    5    6   39                                            
CONECT   17    3   10   11                                            
CONECT   18   14   40                                                 
CONECT   19   11   11                                                 
CONECT   20    6    6                                                 
CONECT   21    4   41                                                 
CONECT   22   13                                                      
CONECT   23   15                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   21   42                                                 
CONECT   42   41   43   47   48                                       
CONECT   43   42   44   49   50                                       
CONECT   44   43   45   46                                            
CONECT   45   44   51   52   53                                       
CONECT   46   44   54   55   56                                       
CONECT   47   42                                                      
CONECT   48   42                                                      
CONECT   49   43                                                      
CONECT   50   43                                                      
CONECT   51   45                                                      
CONECT   52   45                                                      
CONECT   53   45                                                      
CONECT   54   46                                                      
CONECT   55   46                                                      
CONECT   56   46                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
