COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.485  -1.126   1.676  1.00  0.00           O  
HETATM    2  C   UNL     1       0.889  -0.175   1.033  1.00  0.00           C  
HETATM    3  N   UNL     1       2.207  -0.039   0.786  1.00  0.00           N  
HETATM    4  C   UNL     1       3.153  -1.037   1.291  1.00  0.00           C  
HETATM    5  C   UNL     1       4.552  -0.655   0.881  1.00  0.00           C  
HETATM    6  C   UNL     1       5.321   0.149   1.701  1.00  0.00           C  
HETATM    7  C   UNL     1       6.603   0.499   1.331  1.00  0.00           C  
HETATM    8  C   UNL     1       7.134   0.046   0.127  1.00  0.00           C  
HETATM    9  O   UNL     1       8.362   0.258  -0.421  1.00  0.00           O  
HETATM   10  C   UNL     1       8.310  -0.031  -1.828  1.00  0.00           C  
HETATM   11  C   UNL     1       7.177  -1.081  -1.921  1.00  0.00           C  
HETATM   12  C   UNL     1       6.350  -0.758  -0.691  1.00  0.00           C  
HETATM   13  C   UNL     1       5.074  -1.114  -0.316  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.060   0.822   0.523  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.414   0.803   0.701  1.00  0.00           C  
HETATM   16  N   UNL     1       0.262   1.939  -0.214  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.867   2.617  -0.504  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.934   1.940   0.049  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.356   2.336  -0.025  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.864   3.580   0.195  1.00  0.00           N  
HETATM   21  N   UNL     1      -5.252   3.521   0.023  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.591   2.299  -0.289  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.428   1.510  -0.338  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.359   0.063  -0.655  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.109  -0.851   0.083  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.548  -0.387  -1.695  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.487  -1.735  -1.986  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.230  -2.639  -1.248  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.041  -2.197  -0.217  1.00  0.00           C  
HETATM   30 CL   UNL     1      -5.969  -3.339   0.705  1.00  0.00          Cl  
HETATM   31  H   UNL     1       2.529   0.719   0.274  1.00  0.00           H  
HETATM   32  H   UNL     1       3.092  -1.078   2.379  1.00  0.00           H  
HETATM   33  H   UNL     1       2.907  -2.014   0.876  1.00  0.00           H  
HETATM   34  H   UNL     1       4.915   0.507   2.636  1.00  0.00           H  
HETATM   35  H   UNL     1       7.197   1.127   1.979  1.00  0.00           H  
HETATM   36  H   UNL     1       8.055   0.863  -2.397  1.00  0.00           H  
HETATM   37  H   UNL     1       9.256  -0.449  -2.172  1.00  0.00           H  
HETATM   38  H   UNL     1       6.592  -0.944  -2.831  1.00  0.00           H  
HETATM   39  H   UNL     1       7.578  -2.093  -1.867  1.00  0.00           H  
HETATM   40  H   UNL     1       4.479  -1.747  -0.958  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.980   0.057   1.240  1.00  0.00           H  
HETATM   42  H   UNL     1       1.158   2.198  -0.481  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.925   3.534  -1.070  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.352   4.370   0.430  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.596   1.953  -0.483  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.742  -0.507   0.887  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.968   0.317  -2.273  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.859  -2.084  -2.792  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.180  -3.692  -1.480  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   14    1    1                                       
CONECT    3    4    2   31                                            
CONECT    4    3    5   32   33                                       
CONECT    5    4    6    6   13                                       
CONECT    6    5    5    7   34                                       
CONECT    7    6    8    8   35                                       
CONECT    8    7    7   12    9                                       
CONECT    9    8   10                                                 
CONECT   10   11    9   36   37                                       
CONECT   11   12   10   38   39                                       
CONECT   12   13   13    8   11                                       
CONECT   13    5   12   12   40                                       
CONECT   14   15   15    2   16                                       
CONECT   15   18   14   14   41                                       
CONECT   16   14   17   42                                            
CONECT   17   18   18   16   43                                       
CONECT   18   19   15   17   17                                       
CONECT   19   23   23   20   18                                       
CONECT   20   21   19   44                                            
CONECT   21   22   22   20                                            
CONECT   22   23   21   21   45                                       
CONECT   23   24   22   19   19                                       
CONECT   24   26   23   25   25                                       
CONECT   25   24   24   29   46                                       
CONECT   26   27   27   24   47                                       
CONECT   27   26   26   28   48                                       
CONECT   28   27   29   29   49                                       
CONECT   29   28   28   25   30                                       
CONECT   30   29                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
