COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.822   0.679   0.920  1.00  0.00           O  
HETATM    2  C   UNL     1       0.006   1.367   0.347  1.00  0.00           C  
HETATM    3  N   UNL     1       0.409   2.534  -0.247  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.353   3.197  -1.306  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.408   0.972   0.254  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.439   1.824   0.663  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.157   3.043   1.191  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.762   1.429   0.540  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.067   0.179   0.022  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.362  -0.207  -0.100  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.046  -0.678  -0.374  1.00  0.00           C  
HETATM   12 CL   UNL     1      -3.438  -2.243  -1.016  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -1.729  -0.293  -0.261  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.635  -1.235  -0.692  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.272  -2.150   0.449  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.736  -1.962   1.548  1.00  0.00           O  
HETATM   17  C   UNL     1       0.672  -3.303   0.214  1.00  0.00           C  
HETATM   18  C   UNL     1       2.025  -2.992   0.856  1.00  0.00           C  
HETATM   19  C   UNL     1       2.964  -2.384  -0.187  1.00  0.00           C  
HETATM   20  C   UNL     1       4.306  -2.056   0.472  1.00  0.00           C  
HETATM   21  C   UNL     1       5.218  -1.361  -0.540  1.00  0.00           C  
HETATM   22  C   UNL     1       5.485   0.077  -0.091  1.00  0.00           C  
HETATM   23  C   UNL     1       4.497   1.000  -0.758  1.00  0.00           C  
HETATM   24  C   UNL     1       3.801   1.846  -0.040  1.00  0.00           C  
HETATM   25  C   UNL     1       2.810   2.762  -0.712  1.00  0.00           C  
HETATM   26  C   UNL     1       1.682   3.095   0.264  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.252   2.620  -1.522  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.633   4.199  -0.980  1.00  0.00           H  
HETATM   29  H   UNL     1       0.259   3.266  -2.206  1.00  0.00           H  
HETATM   30  H   UNL     1       1.588   4.177   0.358  1.00  0.00           H  
HETATM   31  H   UNL     1       1.904   2.666   1.241  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.102   3.753   0.536  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.553   2.095   0.849  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.764   0.025  -0.948  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.982  -1.831  -1.536  1.00  0.00           H  
HETATM   36  H   UNL     1       0.242  -0.664  -0.994  1.00  0.00           H  
HETATM   37  H   UNL     1       0.258  -4.208   0.659  1.00  0.00           H  
HETATM   38  H   UNL     1       0.803  -3.453  -0.858  1.00  0.00           H  
HETATM   39  H   UNL     1       1.885  -2.284   1.673  1.00  0.00           H  
HETATM   40  H   UNL     1       2.461  -3.912   1.245  1.00  0.00           H  
HETATM   41  H   UNL     1       3.121  -3.098  -0.996  1.00  0.00           H  
HETATM   42  H   UNL     1       2.522  -1.472  -0.588  1.00  0.00           H  
HETATM   43  H   UNL     1       4.139  -1.398   1.325  1.00  0.00           H  
HETATM   44  H   UNL     1       4.777  -2.978   0.813  1.00  0.00           H  
HETATM   45  H   UNL     1       6.162  -1.901  -0.608  1.00  0.00           H  
HETATM   46  H   UNL     1       4.735  -1.352  -1.518  1.00  0.00           H  
HETATM   47  H   UNL     1       5.377   0.148   0.991  1.00  0.00           H  
HETATM   48  H   UNL     1       6.498   0.364  -0.373  1.00  0.00           H  
HETATM   49  H   UNL     1       4.364   0.964  -1.829  1.00  0.00           H  
HETATM   50  H   UNL     1       3.939   1.886   1.030  1.00  0.00           H  
HETATM   51  H   UNL     1       3.313   3.682  -1.012  1.00  0.00           H  
HETATM   52  H   UNL     1       2.402   2.268  -1.593  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   26                                            
CONECT    4    3   27   28   29                                       
CONECT    5    2    6   13   13                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   32                                                 
CONECT    8    6    6    9   33                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   34                                                 
CONECT   11    9    9   12   13                                       
CONECT   12   11                                                      
CONECT   13    5    5   11   14                                       
CONECT   14   13   15   35   36                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   37   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   18   20   41   42                                       
CONECT   20   19   21   43   44                                       
CONECT   21   20   22   45   46                                       
CONECT   22   21   23   47   48                                       
CONECT   23   22   24   24   49                                       
CONECT   24   23   23   25   50                                       
CONECT   25   24   26   51   52                                       
CONECT   26    3   25   30   31                                       
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30   26                                                      
CONECT   31   26                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
