COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.278  -0.883   0.163  1.00  0.00           C  
HETATM    2  C   UNL     1       4.165  -1.165  -0.850  1.00  0.00           C  
HETATM    3  O   UNL     1       2.924  -1.327  -0.160  1.00  0.00           O  
HETATM    4  C   UNL     1       1.834  -1.583  -0.914  1.00  0.00           C  
HETATM    5  O   UNL     1       1.936  -1.667  -2.123  1.00  0.00           O  
HETATM    6  C   UNL     1       0.573  -1.755  -0.297  1.00  0.00           C  
HETATM    7  C   UNL     1       0.316  -2.895   0.368  1.00  0.00           C  
HETATM    8  C   UNL     1       1.376  -3.963   0.452  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.896  -3.097   0.970  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.977  -2.336   0.618  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.365  -2.806   0.969  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.816  -1.173  -0.037  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.956  -0.416  -0.393  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.068  -0.819  -0.106  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.811   0.754  -1.051  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.006   1.466  -1.378  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.448  -0.658  -0.394  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.071   0.456   0.547  1.00  0.00           C  
HETATM   19  C   UNL     1       0.032   0.210   1.903  1.00  0.00           C  
HETATM   20  C   UNL     1       0.379   1.232   2.768  1.00  0.00           C  
HETATM   21  C   UNL     1       0.624   2.500   2.277  1.00  0.00           C  
HETATM   22  C   UNL     1       0.521   2.749   0.920  1.00  0.00           C  
HETATM   23 CL   UNL     1       0.828   4.342   0.303  1.00  0.00          Cl  
HETATM   24  C   UNL     1       0.179   1.724   0.054  1.00  0.00           C  
HETATM   25 CL   UNL     1       0.057   2.033  -1.650  1.00  0.00          Cl  
HETATM   26  H   UNL     1       6.224  -0.759  -0.363  1.00  0.00           H  
HETATM   27  H   UNL     1       5.046   0.029   0.713  1.00  0.00           H  
HETATM   28  H   UNL     1       5.355  -1.718   0.859  1.00  0.00           H  
HETATM   29  H   UNL     1       4.088  -0.330  -1.546  1.00  0.00           H  
HETATM   30  H   UNL     1       4.398  -2.077  -1.400  1.00  0.00           H  
HETATM   31  H   UNL     1       2.019  -3.770   1.311  1.00  0.00           H  
HETATM   32  H   UNL     1       0.902  -4.938   0.564  1.00  0.00           H  
HETATM   33  H   UNL     1       1.975  -3.953  -0.459  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.303  -3.760   1.494  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.847  -2.069   1.610  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.948  -2.931   0.056  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.748   2.386  -1.903  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.635   0.847  -2.017  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.546   1.710  -0.463  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.159  -0.781   2.288  1.00  0.00           H  
HETATM   41  H   UNL     1       0.459   1.038   3.828  1.00  0.00           H  
HETATM   42  H   UNL     1       0.895   3.298   2.953  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.989  -3.784   1.648  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.467  -0.274  -1.414  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3   29   30                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7    7   17                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   31   32   33                                       
CONECT    9    7   10   43                                            
CONECT   10    9   12   12   11                                       
CONECT   11   10   34   35   36                                       
CONECT   12   10   10   17   13                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16                                                 
CONECT   16   15   37   38   39                                       
CONECT   17    6   12   18   44                                       
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20   40                                       
CONECT   20   19   21   21   41                                       
CONECT   21   20   20   22   42                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22                                                      
CONECT   24   18   22   22   25                                       
CONECT   25   24                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43    9                                                      
CONECT   44   17                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
