COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.763   3.975  -0.258  1.00  0.00           C  
HETATM    2  C   UNL     1       5.690   2.934   2.055  1.00  0.00           C  
HETATM    3  N   UNL     1       5.131   3.073   0.708  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.125   0.953   1.801  1.00  0.00           C  
HETATM    5 CL   UNL     1      -0.356  -5.470   0.598  1.00  0.00          Cl  
HETATM    6  C   UNL     1       0.640  -4.206  -0.052  1.00  0.00           C  
HETATM    7  C   UNL     1       1.973  -4.259  -0.029  1.00  0.00           C  
HETATM    8  S   UNL     1       2.634  -2.809  -0.773  1.00  0.00           S  
HETATM    9  C   UNL     1       1.016  -2.193  -1.082  1.00  0.00           C  
HETATM   10  C   UNL     1       0.112  -3.068  -0.638  1.00  0.00           C  
HETATM   11  C   UNL     1       0.699  -0.881  -1.752  1.00  0.00           C  
HETATM   12  N   UNL     1       0.601   0.173  -0.740  1.00  0.00           N  
HETATM   13  C   UNL     1       1.741   0.903  -0.376  1.00  0.00           C  
HETATM   14  C   UNL     1       2.271   0.771   0.901  1.00  0.00           C  
HETATM   15  C   UNL     1       3.394   1.489   1.260  1.00  0.00           C  
HETATM   16  C   UNL     1       3.994   2.344   0.344  1.00  0.00           C  
HETATM   17  C   UNL     1       3.463   2.476  -0.933  1.00  0.00           C  
HETATM   18  C   UNL     1       2.344   1.753  -1.293  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.585   0.441  -0.159  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.685   1.371   0.614  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.786  -0.413  -0.470  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.977   0.094   0.303  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.303  -0.447   1.510  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.342  -0.017   2.212  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.766   1.142  -0.202  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.499   1.753  -1.435  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.307   2.757  -1.876  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.875   1.579   0.570  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.686   2.616   0.083  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.396   3.186  -1.120  1.00  0.00           C  
HETATM   31  H   UNL     1       6.518   3.429  -0.825  1.00  0.00           H  
HETATM   32  H   UNL     1       5.008   4.364  -0.940  1.00  0.00           H  
HETATM   33  H   UNL     1       6.235   4.802   0.272  1.00  0.00           H  
HETATM   34  H   UNL     1       6.426   2.130   2.062  1.00  0.00           H  
HETATM   35  H   UNL     1       6.169   3.868   2.348  1.00  0.00           H  
HETATM   36  H   UNL     1       4.890   2.701   2.758  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.962   1.266   2.407  1.00  0.00           H  
HETATM   38  H   UNL     1       2.557  -5.069   0.383  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.951  -2.899  -0.726  1.00  0.00           H  
HETATM   40  H   UNL     1       1.491  -0.634  -2.459  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.249  -0.964  -2.283  1.00  0.00           H  
HETATM   42  H   UNL     1       1.805   0.106   1.613  1.00  0.00           H  
HETATM   43  H   UNL     1       3.806   1.387   2.253  1.00  0.00           H  
HETATM   44  H   UNL     1       3.932   3.138  -1.646  1.00  0.00           H  
HETATM   45  H   UNL     1       1.931   1.855  -2.286  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.000  -0.365  -1.537  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.582  -1.445  -0.186  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.698  -1.250   1.906  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.663   1.425  -2.035  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.101   3.227  -2.826  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.534   2.960   0.657  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.021   3.984  -1.493  1.00  0.00           H  
CONECT    1    3   31   32   33                                       
CONECT    2    3   34   35   36                                       
CONECT    3    2   16    1                                            
CONECT    4   24   28   28   37                                       
CONECT    5    6                                                      
CONECT    6    5    7    7   10                                       
CONECT    7    6    6    8   38                                       
CONECT    8    7    9                                                 
CONECT    9   10   10    8   11                                       
CONECT   10    6    9    9   39                                       
CONECT   11    9   12   40   41                                       
CONECT   12   13   19   11                                            
CONECT   13   18   12   14   14                                       
CONECT   14   13   13   15   42                                       
CONECT   15   16   16   14   43                                       
CONECT   16   17    3   15   15                                       
CONECT   17   18   18   16   44                                       
CONECT   18   17   17   13   45                                       
CONECT   19   21   20   20   12                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   46   47                                       
CONECT   22   23   21   25   25                                       
CONECT   23   24   24   22   48                                       
CONECT   24   23   23    4                                            
CONECT   25   22   22   28   26                                       
CONECT   26   25   27   27   49                                       
CONECT   27   26   26   30   50                                       
CONECT   28    4    4   25   29                                       
CONECT   29   28   30   30   51                                       
CONECT   30   29   29   27   52                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
