COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.356   0.636   0.320  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.391  -0.672  -0.169  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.619  -1.309  -0.358  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.790  -0.644  -0.061  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.749   0.653   0.424  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.534   1.288   0.619  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.133  -1.378  -0.487  1.00  0.00           C  
HETATM    8 CL   UNL     1      -7.228   1.483   0.796  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -2.035  -2.651  -0.969  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.673  -2.927  -1.130  1.00  0.00           C  
HETATM   11  C   UNL     1       0.010  -1.797  -0.734  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.896  -0.871  -0.354  1.00  0.00           O  
HETATM   13  C   UNL     1       1.465  -1.629  -0.732  1.00  0.00           C  
HETATM   14  O   UNL     1       2.184  -2.539  -1.103  1.00  0.00           O  
HETATM   15  N   UNL     1       2.009  -0.467  -0.318  1.00  0.00           N  
HETATM   16  C   UNL     1       3.464  -0.299  -0.315  1.00  0.00           C  
HETATM   17  C   UNL     1       3.806   1.189  -0.423  1.00  0.00           C  
HETATM   18  C   UNL     1       4.031  -0.853   0.966  1.00  0.00           C  
HETATM   19  O   UNL     1       3.322  -0.969   1.943  1.00  0.00           O  
HETATM   20  N   UNL     1       5.327  -1.220   1.026  1.00  0.00           N  
HETATM   21  C   UNL     1       5.851  -1.861   2.235  1.00  0.00           C  
HETATM   22  C   UNL     1       3.257   1.744  -1.739  1.00  0.00           C  
HETATM   23  C   UNL     1       3.599   3.231  -1.847  1.00  0.00           C  
HETATM   24  C   UNL     1       2.970   3.985  -0.673  1.00  0.00           C  
HETATM   25  C   UNL     1       3.519   3.430   0.643  1.00  0.00           C  
HETATM   26  C   UNL     1       3.177   1.942   0.750  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.409   1.133   0.469  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.652  -2.319  -0.737  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.741  -1.135  -0.206  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.509   2.299   0.998  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.855  -3.320  -1.186  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.240  -3.847  -1.493  1.00  0.00           H  
HETATM   33  H   UNL     1       1.436   0.258  -0.023  1.00  0.00           H  
HETATM   34  H   UNL     1       3.893  -0.833  -1.163  1.00  0.00           H  
HETATM   35  H   UNL     1       4.888   1.315  -0.399  1.00  0.00           H  
HETATM   36  H   UNL     1       5.728  -1.189   3.085  1.00  0.00           H  
HETATM   37  H   UNL     1       5.306  -2.786   2.421  1.00  0.00           H  
HETATM   38  H   UNL     1       3.705   1.207  -2.575  1.00  0.00           H  
HETATM   39  H   UNL     1       2.174   1.617  -1.763  1.00  0.00           H  
HETATM   40  H   UNL     1       4.681   3.358  -1.822  1.00  0.00           H  
HETATM   41  H   UNL     1       3.207   3.627  -2.784  1.00  0.00           H  
HETATM   42  H   UNL     1       3.214   5.045  -0.750  1.00  0.00           H  
HETATM   43  H   UNL     1       1.888   3.859  -0.698  1.00  0.00           H  
HETATM   44  H   UNL     1       4.601   3.557   0.667  1.00  0.00           H  
HETATM   45  H   UNL     1       3.071   3.967   1.479  1.00  0.00           H  
HETATM   46  H   UNL     1       2.095   1.816   0.726  1.00  0.00           H  
HETATM   47  H   UNL     1       3.568   1.547   1.688  1.00  0.00           H  
HETATM   48  H   UNL     1       5.912  -1.060   0.269  1.00  0.00           H  
HETATM   49  H   UNL     1       6.909  -2.083   2.098  1.00  0.00           H  
CONECT    1    2   27    6    6                                       
CONECT    2    1    7    3    3                                       
CONECT    3    2    2   28    4                                       
CONECT    4    3   29    5    5                                       
CONECT    5    4    4    6    8                                       
CONECT    6    5    1    1   30                                       
CONECT    7    2    9    9   12                                       
CONECT    8    5                                                      
CONECT    9    7    7   10   31                                       
CONECT   10    9   11   11   32                                       
CONECT   11   10   10   13   12                                       
CONECT   12    7   11                                                 
CONECT   13   11   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   33                                            
CONECT   16   15   34   17   18                                       
CONECT   17   16   26   35   22                                       
CONECT   18   16   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   48                                            
CONECT   21   20   36   37   49                                       
CONECT   22   17   38   39   23                                       
CONECT   23   22   24   40   41                                       
CONECT   24   23   25   42   43                                       
CONECT   25   24   26   44   45                                       
CONECT   26   17   25   46   47                                       
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
