COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.466  -1.541  -1.972  1.00  0.00           O  
HETATM    2  C   UNL     1       7.167  -1.085  -1.587  1.00  0.00           C  
HETATM    3  C   UNL     1       6.377  -2.247  -0.981  1.00  0.00           C  
HETATM    4  C   UNL     1       4.987  -1.759  -0.569  1.00  0.00           C  
HETATM    5  C   UNL     1       5.125  -0.641   0.467  1.00  0.00           C  
HETATM    6  C   UNL     1       5.915   0.521  -0.139  1.00  0.00           C  
HETATM    7  C   UNL     1       7.305   0.033  -0.551  1.00  0.00           C  
HETATM    8  N   UNL     1       3.794  -0.173   0.861  1.00  0.00           N  
HETATM    9  C   UNL     1       3.058   0.755   0.215  1.00  0.00           C  
HETATM   10  C   UNL     1       1.887   0.903   0.901  1.00  0.00           C  
HETATM   11  C   UNL     1       1.927   0.027   2.004  1.00  0.00           C  
HETATM   12  N   UNL     1       3.064  -0.616   1.971  1.00  0.00           N  
HETATM   13  C   UNL     1       0.776   1.821   0.550  1.00  0.00           C  
HETATM   14  C   UNL     1       1.020   3.159   0.280  1.00  0.00           C  
HETATM   15  N   UNL     1       0.032   3.981  -0.033  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.229   3.585  -0.108  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.220   4.502  -0.444  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.573   2.257   0.146  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.736   1.575   0.149  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.532   0.281   0.467  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.587  -0.747   0.561  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.639  -1.605   1.658  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.634  -2.566   1.735  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.579  -2.695   0.747  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.557  -1.845  -0.376  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.347  -1.768  -1.454  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.116  -0.896  -2.351  1.00  0.00           N  
HETATM   28  S   UNL     1      -4.863  -0.037  -1.971  1.00  0.00           S  
HETATM   29  C   UNL     1      -4.547  -0.868  -0.446  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.209   0.066   0.687  1.00  0.00           C  
HETATM   31 CL   UNL     1      -0.452  -1.434   1.122  1.00  0.00          Cl  
HETATM   32  C   UNL     1      -0.551   1.351   0.478  1.00  0.00           C  
HETATM   33  H   UNL     1       9.023  -0.856  -2.364  1.00  0.00           H  
HETATM   34  H   UNL     1       6.641  -0.706  -2.463  1.00  0.00           H  
HETATM   35  H   UNL     1       6.279  -3.043  -1.719  1.00  0.00           H  
HETATM   36  H   UNL     1       6.904  -2.626  -0.105  1.00  0.00           H  
HETATM   37  H   UNL     1       4.461  -1.379  -1.445  1.00  0.00           H  
HETATM   38  H   UNL     1       4.424  -2.586  -0.137  1.00  0.00           H  
HETATM   39  H   UNL     1       5.652  -1.020   1.343  1.00  0.00           H  
HETATM   40  H   UNL     1       5.389   0.900  -1.015  1.00  0.00           H  
HETATM   41  H   UNL     1       6.014   1.317   0.599  1.00  0.00           H  
HETATM   42  H   UNL     1       7.832  -0.347   0.325  1.00  0.00           H  
HETATM   43  H   UNL     1       7.868   0.860  -0.983  1.00  0.00           H  
HETATM   44  H   UNL     1       3.343   1.284  -0.682  1.00  0.00           H  
HETATM   45  H   UNL     1       1.151  -0.095   2.745  1.00  0.00           H  
HETATM   46  H   UNL     1       2.031   3.536   0.327  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.985   5.427  -0.621  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.145   4.217  -0.500  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.905  -1.521   2.446  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.667  -3.227   2.588  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.344  -3.453   0.831  1.00  0.00           H  
CONECT    1    2   33                                                 
CONECT    2    1    3    7   34                                       
CONECT    3    2    4   35   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    4    6    8   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    2    6   42   43                                       
CONECT    8    5    9   12                                            
CONECT    9    8   10   10   44                                       
CONECT   10    9    9   11   13                                       
CONECT   11   10   12   12   45                                       
CONECT   12    8   11   11                                            
CONECT   13   10   14   14   32                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15   17   18                                       
CONECT   17   16   47   48                                            
CONECT   18   16   19   32   32                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   30   30                                       
CONECT   21   20   22   22   29                                       
CONECT   22   21   21   23   49                                       
CONECT   23   22   24   24   50                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   29   29                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   28                                            
CONECT   28   27   29                                                 
CONECT   29   21   25   25   28                                       
CONECT   30   20   20   31   32                                       
CONECT   31   30                                                      
CONECT   32   13   18   18   30                                       
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
