COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.996   0.175   0.172  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.121   0.696  -0.224  1.00  0.00           C  
HETATM    3  S   UNL     1      -3.799   2.255  -0.979  1.00  0.00           S  
HETATM    4  C   UNL     1      -1.904   0.869  -0.054  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.076   2.043  -0.670  1.00  0.00           C  
HETATM    6  C   UNL     1       7.965  -0.650   0.284  1.00  0.00           C  
HETATM    7  C   UNL     1       4.370   0.439   0.896  1.00  0.00           C  
HETATM    8  C   UNL     1       5.803   0.112   1.230  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.455   0.079  -0.066  1.00  0.00           C  
HETATM   10  C   UNL     1       4.064   1.626   0.258  1.00  0.00           C  
HETATM   11  C   UNL     1       6.501  -0.444  -0.012  1.00  0.00           C  
HETATM   12  C   UNL     1       2.751   1.929  -0.048  1.00  0.00           C  
HETATM   13  O   UNL     1       8.430  -1.765   0.283  1.00  0.00           O  
HETATM   14  C   UNL     1       3.364  -0.451   1.225  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.593   0.739  -0.534  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.582  -1.169   0.546  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.541   0.373   0.357  1.00  0.00           C  
HETATM   18  C   UNL     1       1.740   1.040   0.285  1.00  0.00           C  
HETATM   19  O   UNL     1       0.448   1.335  -0.016  1.00  0.00           O  
HETATM   20  O   UNL     1       8.750   0.405   0.549  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.955  -1.078   0.228  1.00  0.00           C  
HETATM   22  C   UNL     1       2.050  -0.154   0.921  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.835   0.158  -0.385  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.829  -1.740   0.690  1.00  0.00           C  
HETATM   25 CL   UNL     1      -9.521  -1.803   0.413  1.00  0.00          Cl  
HETATM   26  O   UNL     1       5.908  -1.693  -0.374  1.00  0.00           O  
HETATM   27  C   UNL     1       5.163   2.592  -0.102  1.00  0.00           C  
HETATM   28  C   UNL     1       5.953  -1.974  -1.774  1.00  0.00           C  
HETATM   29  C   UNL     1       5.294  -3.329  -2.043  1.00  0.00           C  
HETATM   30  H   UNL     1      -1.295   2.740  -0.934  1.00  0.00           H  
HETATM   31  H   UNL     1       6.314   1.015   1.561  1.00  0.00           H  
HETATM   32  H   UNL     1       5.829  -0.633   2.026  1.00  0.00           H  
HETATM   33  H   UNL     1       6.393   0.261  -0.836  1.00  0.00           H  
HETATM   34  H   UNL     1       2.513   2.857  -0.547  1.00  0.00           H  
HETATM   35  H   UNL     1       3.606  -1.381   1.719  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.500   1.703  -1.012  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.705  -1.686   0.906  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.518   0.228   1.437  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.333  -0.573  -0.141  1.00  0.00           H  
HETATM   40  H   UNL     1       9.682   0.224   0.733  1.00  0.00           H  
HETATM   41  H   UNL     1       1.265  -0.849   1.178  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.715   0.668  -0.746  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.929  -2.706   1.163  1.00  0.00           H  
HETATM   44  H   UNL     1       5.604   2.301  -1.056  1.00  0.00           H  
HETATM   45  H   UNL     1       4.751   3.598  -0.185  1.00  0.00           H  
HETATM   46  H   UNL     1       5.930   2.576   0.672  1.00  0.00           H  
HETATM   47  H   UNL     1       5.419  -1.196  -2.318  1.00  0.00           H  
HETATM   48  H   UNL     1       6.991  -2.003  -2.106  1.00  0.00           H  
HETATM   49  H   UNL     1       5.828  -4.108  -1.499  1.00  0.00           H  
HETATM   50  H   UNL     1       4.256  -3.300  -1.712  1.00  0.00           H  
HETATM   51  H   UNL     1       5.328  -3.543  -3.112  1.00  0.00           H  
CONECT    1    2    2    4                                            
CONECT    2    1    1    3    9                                       
CONECT    3    2    5                                                 
CONECT    4    1    5    5   17                                       
CONECT    5    3    4    4   30                                       
CONECT    6   11   13   13   20                                       
CONECT    7    8   10   10   14                                       
CONECT    8    7   11   31   32                                       
CONECT    9    2   15   15   16                                       
CONECT   10    7    7   12   27                                       
CONECT   11    6    8   26   33                                       
CONECT   12   10   18   18   34                                       
CONECT   13    6    6                                                 
CONECT   14    7   22   22   35                                       
CONECT   15    9    9   23   36                                       
CONECT   16    9   24   24   37                                       
CONECT   17    4   19   38   39                                       
CONECT   18   12   12   19   22                                       
CONECT   19   17   18                                                 
CONECT   20    6   40                                                 
CONECT   21   23   23   24   25                                       
CONECT   22   14   14   18   41                                       
CONECT   23   15   21   21   42                                       
CONECT   24   16   16   21   43                                       
CONECT   25   21                                                      
CONECT   26   11   28                                                 
CONECT   27   10   44   45   46                                       
CONECT   28   26   29   47   48                                       
CONECT   29   28   49   50   51                                       
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
