COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.831   3.400   0.755  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.625   2.571  -0.333  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.424   1.903  -0.477  1.00  0.00           C  
HETATM    4  C   UNL     1       0.914   1.899   0.880  1.00  0.00           C  
HETATM    5  C   UNL     1       2.215   1.241   0.647  1.00  0.00           C  
HETATM    6  C   UNL     1       3.360   1.700   1.303  1.00  0.00           C  
HETATM    7  C   UNL     1       4.572   1.084   1.083  1.00  0.00           C  
HETATM    8  C   UNL     1       4.657   0.006   0.208  1.00  0.00           C  
HETATM    9  C   UNL     1       3.519  -0.454  -0.447  1.00  0.00           C  
HETATM   10  N   UNL     1       5.887  -0.616  -0.014  1.00  0.00           N  
HETATM   11  C   UNL     1       6.070  -1.890   0.382  1.00  0.00           C  
HETATM   12  C   UNL     1       7.305  -2.524   0.163  1.00  0.00           C  
HETATM   13  C   UNL     1       6.886   0.070  -0.632  1.00  0.00           C  
HETATM   14  C   UNL     1       8.087  -0.513  -0.857  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.990  -3.181   0.535  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.423   2.066   0.472  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.633   2.900   1.563  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.836   3.564   1.701  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.163   0.847  -1.862  1.00  0.00           S  
HETATM   20  N   UNL     1      -2.004  -0.695  -1.279  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.206   1.391   0.330  1.00  0.00           N  
HETATM   22  O   UNL     1       0.854   2.899   1.570  1.00  0.00           O  
HETATM   23  C   UNL     1       2.303   0.154  -0.227  1.00  0.00           C  
HETATM   24  O   UNL     1       5.163  -2.494   0.932  1.00  0.00           O  
HETATM   25  C   UNL     1       8.309  -1.837  -0.452  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.080  -1.319  -0.658  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.911  -2.573  -0.080  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.208  -2.512   0.552  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.304  -1.269  -0.042  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.257  -0.713  -0.622  1.00  0.00           N  
HETATM   31 CL   UNL     1      -6.594  -3.232   1.310  1.00  0.00          Cl  
HETATM   32  O   UNL     1      -3.367   0.868  -2.616  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.899   1.203  -2.406  1.00  0.00           O  
HETATM   34  H   UNL     1      -4.769   3.924   0.863  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.404   2.445  -1.070  1.00  0.00           H  
HETATM   36  H   UNL     1       3.295   2.538   1.982  1.00  0.00           H  
HETATM   37  H   UNL     1       5.457   1.439   1.589  1.00  0.00           H  
HETATM   38  H   UNL     1       3.589  -1.291  -1.125  1.00  0.00           H  
HETATM   39  H   UNL     1       7.457  -3.546   0.479  1.00  0.00           H  
HETATM   40  H   UNL     1       6.720   1.089  -0.945  1.00  0.00           H  
HETATM   41  H   UNL     1       8.872   0.041  -1.349  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.889  -4.156   0.988  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.857   3.028   2.303  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.000   4.212   2.549  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.159  -1.164  -1.371  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.169   0.558  -0.166  1.00  0.00           H  
HETATM   47  H   UNL     1       1.419  -0.207  -0.732  1.00  0.00           H  
HETATM   48  H   UNL     1       9.265  -2.308  -0.628  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.950  -3.064  -0.111  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.249  -0.745  -0.032  1.00  0.00           H  
CONECT    1    2    2   18   34                                       
CONECT    2    1    1    3   35                                       
CONECT    3    2   16   16   19                                       
CONECT    4    5   21   22   22                                       
CONECT    5    4    6    6   23                                       
CONECT    6    5    5    7   36                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7    9   10                                       
CONECT    9    8   23   23   38                                       
CONECT   10    8   11   13                                            
CONECT   11   10   12   24   24                                       
CONECT   12   11   25   25   39                                       
CONECT   13   10   14   14   40                                       
CONECT   14   13   13   25   41                                       
CONECT   15   27   27   28   42                                       
CONECT   16    3    3   17   21                                       
CONECT   17   16   18   18   43                                       
CONECT   18    1   17   17   44                                       
CONECT   19    3   20   32   32                                       
CONECT   19   33   33                                                 
CONECT   20   19   26   45                                            
CONECT   21    4   16   46                                            
CONECT   22    4    4                                                 
CONECT   23    5    9    9   47                                       
CONECT   24   11   11                                                 
CONECT   25   12   12   14   48                                       
CONECT   26   20   27   30   30                                       
CONECT   27   15   15   26   49                                       
CONECT   28   15   29   29   31                                       
CONECT   29   28   28   30   50                                       
CONECT   30   26   26   29                                            
CONECT   31   28                                                      
CONECT   32   19   19                                                 
CONECT   33   19   19                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
