COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.801   0.095  -0.423  1.00  0.00           C  
HETATM    2  O   UNL     1       1.795  -0.831  -1.209  1.00  0.00           O  
HETATM    3  O   UNL     1       2.964   0.678  -0.077  1.00  0.00           O  
HETATM    4  C   UNL     1       4.172   0.148  -0.683  1.00  0.00           C  
HETATM    5  C   UNL     1       5.366   0.919  -0.182  1.00  0.00           C  
HETATM    6  C   UNL     1       6.030   0.502   0.956  1.00  0.00           C  
HETATM    7  C   UNL     1       7.125   1.209   1.417  1.00  0.00           C  
HETATM    8  C   UNL     1       7.556   2.334   0.739  1.00  0.00           C  
HETATM    9  C   UNL     1       6.891   2.752  -0.399  1.00  0.00           C  
HETATM   10  C   UNL     1       5.799   2.042  -0.862  1.00  0.00           C  
HETATM   11  N   UNL     1       0.641   0.542   0.100  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.625  -0.089  -0.281  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.751   0.896  -0.097  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.519   2.014   0.312  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.870  -1.314   0.602  1.00  0.00           C  
HETATM   16  C   UNL     1       0.190  -2.351   0.327  1.00  0.00           C  
HETATM   17  C   UNL     1       1.364  -2.348   1.057  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.016  -3.307  -0.649  1.00  0.00           C  
HETATM   19  C   UNL     1       2.336  -3.298   0.805  1.00  0.00           C  
HETATM   20  C   UNL     1       0.956  -4.257  -0.901  1.00  0.00           C  
HETATM   21  C   UNL     1       2.133  -4.252  -0.175  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.017   0.534  -0.387  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.111   1.490  -0.208  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.402   0.743   0.007  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.468  -0.435  -0.253  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.232   2.366  -1.457  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.610   1.464   0.547  1.00  0.00           C  
HETATM   28 CL   UNL     1      -7.986   0.308   0.691  1.00  0.00          Cl  
HETATM   29  H   UNL     1       4.281  -0.903  -0.418  1.00  0.00           H  
HETATM   30  H   UNL     1       4.107   0.244  -1.767  1.00  0.00           H  
HETATM   31  H   UNL     1       5.694  -0.378   1.486  1.00  0.00           H  
HETATM   32  H   UNL     1       7.644   0.883   2.306  1.00  0.00           H  
HETATM   33  H   UNL     1       8.410   2.888   1.099  1.00  0.00           H  
HETATM   34  H   UNL     1       7.227   3.631  -0.928  1.00  0.00           H  
HETATM   35  H   UNL     1       5.283   2.366  -1.753  1.00  0.00           H  
HETATM   36  H   UNL     1       0.646   1.281   0.728  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.578  -0.396  -1.325  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.828  -1.021   1.651  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.852  -1.731   0.380  1.00  0.00           H  
HETATM   40  H   UNL     1       1.522  -1.603   1.822  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.935  -3.312  -1.216  1.00  0.00           H  
HETATM   42  H   UNL     1       3.253  -3.296   1.374  1.00  0.00           H  
HETATM   43  H   UNL     1       0.796  -5.005  -1.664  1.00  0.00           H  
HETATM   44  H   UNL     1       2.892  -4.994  -0.372  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.203  -0.361  -0.714  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.907   2.119   0.658  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.047   3.078  -1.324  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.299   2.907  -1.612  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.437   1.738  -2.323  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.378   1.877   1.529  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.884   2.272  -0.131  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   29   30                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   31                                       
CONECT    7    6    8    8   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   10   10   34                                       
CONECT   10    5    9    9   35                                       
CONECT   11    1   12   36                                            
CONECT   12   11   13   15   37                                       
CONECT   13   12   14   14   22                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   38   39                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   19   40                                       
CONECT   18   16   20   20   41                                       
CONECT   19   17   21   21   42                                       
CONECT   20   18   18   21   43                                       
CONECT   21   19   19   20   44                                       
CONECT   22   13   23   45                                            
CONECT   23   22   24   26   46                                       
CONECT   24   23   25   25   27                                       
CONECT   25   24   24                                                 
CONECT   26   23   47   48   49                                       
CONECT   27   24   50   28   51                                       
CONECT   28   27                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
