COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.338  -0.014   1.681  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.123   0.002   0.183  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.035   0.855  -0.410  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.925   1.469   0.649  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.182   1.242   1.985  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.203  -0.675  -0.599  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.193  -0.501  -1.969  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.105   0.352  -2.563  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.024   1.028  -1.784  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.395  -3.018  -0.507  1.00  0.00           C  
HETATM   11 CL   UNL     1       4.905   2.900  -0.926  1.00  0.00          Cl  
HETATM   12  C   UNL     1       3.988   1.433  -0.774  1.00  0.00           C  
HETATM   13  C   UNL     1       3.694   0.931   0.478  1.00  0.00           C  
HETATM   14  C   UNL     1       2.956  -0.248   0.597  1.00  0.00           C  
HETATM   15  C   UNL     1       2.636  -0.791   1.935  1.00  0.00           C  
HETATM   16  N   UNL     1       3.169  -0.226   3.036  1.00  0.00           N  
HETATM   17  O   UNL     1       1.894  -1.748   2.040  1.00  0.00           O  
HETATM   18  C   UNL     1       3.549   0.772  -1.909  1.00  0.00           C  
HETATM   19  C   UNL     1       2.818  -0.397  -1.796  1.00  0.00           C  
HETATM   20  C   UNL     1       2.521  -0.912  -0.551  1.00  0.00           C  
HETATM   21  S   UNL     1       1.590  -2.401  -0.410  1.00  0.00           S  
HETATM   22  O   UNL     1       1.229  -2.775  -1.733  1.00  0.00           O  
HETATM   23  O   UNL     1       2.320  -3.250   0.465  1.00  0.00           O  
HETATM   24  N   UNL     1       0.180  -2.025   0.371  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.788  -1.122  -0.257  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.603   0.271   0.289  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.260   0.559   1.501  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.190   1.956   1.608  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.510   2.455   0.395  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.560   3.632   0.089  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.762   1.411  -0.412  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.208  -1.604   0.047  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.880  -0.914   1.975  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.382   0.037   2.201  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.053   2.536   0.463  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.894   0.969   0.665  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.887   1.050   2.793  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.542   2.092   2.221  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.474  -1.030  -2.576  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.099   0.489  -3.634  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.736   1.694  -2.249  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.407  -3.361  -0.291  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.237  -3.009  -1.586  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.676  -3.690  -0.040  1.00  0.00           H  
HETATM   45  H   UNL     1       4.033   1.449   1.362  1.00  0.00           H  
HETATM   46  H   UNL     1       3.761   0.537   2.952  1.00  0.00           H  
HETATM   47  H   UNL     1       2.959  -0.583   3.914  1.00  0.00           H  
HETATM   48  H   UNL     1       3.778   1.171  -2.886  1.00  0.00           H  
HETATM   49  H   UNL     1       2.478  -0.907  -2.685  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.006  -2.403   1.245  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.630  -1.113  -1.335  1.00  0.00           H  
HETATM   52  H   UNL     1       0.043   2.465   2.400  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.366  -1.613   1.125  1.00  0.00           H  
CONECT    1    5    2   33   34                                       
CONECT    2    3    3    6    1                                       
CONECT    3    9    4    2    2                                       
CONECT    4    3    5   35   36                                       
CONECT    5    4    1   37   38                                       
CONECT    6    7    7    2   32                                       
CONECT    7    8    6    6   39                                       
CONECT    8    9    9    7   40                                       
CONECT    9    8    8    3   41                                       
CONECT   10   32   42   43   44                                       
CONECT   11   12                                                      
CONECT   12   11   13   13   18                                       
CONECT   13   12   12   14   45                                       
CONECT   14   13   15   20   20                                       
CONECT   15   16   14   17   17                                       
CONECT   16   15   46   47                                            
CONECT   17   15   15                                                 
CONECT   18   12   19   19   48                                       
CONECT   19   18   18   20   49                                       
CONECT   20   14   14   19   21                                       
CONECT   21   20   22   22   24                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   25   21   50                                            
CONECT   25   26   32   24   51                                       
CONECT   26   27   27   31   25                                       
CONECT   27   28   26   26                                            
CONECT   28   27   29   52                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   26                                                 
CONECT   32    6   25   10   53                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
