COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.169  -3.775  -2.874  1.00  0.00           C  
HETATM    2  O   UNL     1       0.433  -2.664  -2.158  1.00  0.00           O  
HETATM    3  C   UNL     1       1.049  -2.948  -1.000  1.00  0.00           C  
HETATM    4  O   UNL     1       1.005  -4.069  -0.551  1.00  0.00           O  
HETATM    5  C   UNL     1       1.797  -1.869  -0.260  1.00  0.00           C  
HETATM    6  C   UNL     1       3.279  -2.242  -0.175  1.00  0.00           C  
HETATM    7  C   UNL     1       3.881  -2.261  -1.582  1.00  0.00           C  
HETATM    8  C   UNL     1       1.225  -1.728   1.152  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.199  -1.386   1.079  1.00  0.00           N  
HETATM   10  C   UNL     1       1.929  -0.611   1.879  1.00  0.00           C  
HETATM   11  N   UNL     1       2.624  -0.694   2.977  1.00  0.00           N  
HETATM   12  N   UNL     1       3.036   0.477   3.318  1.00  0.00           N  
HETATM   13  C   UNL     1       2.633   1.363   2.445  1.00  0.00           C  
HETATM   14  C   UNL     1       2.890   2.847   2.488  1.00  0.00           C  
HETATM   15  N   UNL     1       1.939   0.689   1.490  1.00  0.00           N  
HETATM   16  C   UNL     1       1.377   1.200   0.320  1.00  0.00           C  
HETATM   17  C   UNL     1       2.038   2.234  -0.332  1.00  0.00           C  
HETATM   18  C   UNL     1       1.538   2.751  -1.515  1.00  0.00           C  
HETATM   19  O   UNL     1       2.189   3.763  -2.144  1.00  0.00           O  
HETATM   20  C   UNL     1       1.615   4.247  -3.360  1.00  0.00           C  
HETATM   21  C   UNL     1       0.367   2.232  -2.057  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.302   1.219  -1.415  1.00  0.00           C  
HETATM   23  C   UNL     1       0.184   0.696  -0.205  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.616  -0.329   0.471  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.083  -0.126   0.453  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.943  -1.220   0.548  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.308  -1.025   0.531  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.826   0.255   0.420  1.00  0.00           C  
HETATM   29 CL   UNL     1      -6.545   0.493   0.400  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -3.977   1.345   0.326  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.610   1.161   0.346  1.00  0.00           C  
HETATM   32  H   UNL     1       0.609  -4.468  -3.191  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.871  -4.292  -2.218  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.700  -3.399  -3.748  1.00  0.00           H  
HETATM   35  H   UNL     1       1.691  -0.924  -0.792  1.00  0.00           H  
HETATM   36  H   UNL     1       3.804  -1.507   0.435  1.00  0.00           H  
HETATM   37  H   UNL     1       3.380  -3.229   0.276  1.00  0.00           H  
HETATM   38  H   UNL     1       3.356  -2.996  -2.192  1.00  0.00           H  
HETATM   39  H   UNL     1       3.780  -1.274  -2.033  1.00  0.00           H  
HETATM   40  H   UNL     1       4.937  -2.527  -1.521  1.00  0.00           H  
HETATM   41  H   UNL     1       1.353  -2.663   1.697  1.00  0.00           H  
HETATM   42  H   UNL     1       3.819   3.071   1.963  1.00  0.00           H  
HETATM   43  H   UNL     1       2.065   3.373   2.007  1.00  0.00           H  
HETATM   44  H   UNL     1       2.973   3.172   3.525  1.00  0.00           H  
HETATM   45  H   UNL     1       2.948   2.636   0.087  1.00  0.00           H  
HETATM   46  H   UNL     1       1.563   3.435  -4.086  1.00  0.00           H  
HETATM   47  H   UNL     1       0.611   4.623  -3.163  1.00  0.00           H  
HETATM   48  H   UNL     1       2.232   5.052  -3.758  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.018   2.627  -2.986  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.210   0.822  -1.843  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.540  -2.218   0.635  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.975  -1.871   0.605  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.386   2.341   0.240  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.949   2.013   0.277  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    3    1                                                 
CONECT    3    5    2    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    8    3   35                                       
CONECT    6    7    5   36   37                                       
CONECT    7    6   38   39   40                                       
CONECT    8   10    5    9   41                                       
CONECT    9    8   24   24                                            
CONECT   10   11   11   15    8                                       
CONECT   11   12   10   10                                            
CONECT   12   13   13   11                                            
CONECT   13   14   12   12   15                                       
CONECT   14   13   42   43   44                                       
CONECT   15   13   10   16                                            
CONECT   16   17   15   23   23                                       
CONECT   17   18   18   16   45                                       
CONECT   18   19   17   17   21                                       
CONECT   19   20   18                                                 
CONECT   20   19   46   47   48                                       
CONECT   21   18   22   22   49                                       
CONECT   22   21   21   23   50                                       
CONECT   23   16   16   22   24                                       
CONECT   24   23    9    9   25                                       
CONECT   25   24   26   26   31                                       
CONECT   26   25   25   27   51                                       
CONECT   27   26   28   28   52                                       
CONECT   28   27   27   30   29                                       
CONECT   29   28                                                      
CONECT   30   31   31   28   53                                       
CONECT   31   25   30   30   54                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
