COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.823   3.223   1.066  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.180   3.092   0.044  1.00  0.00           C  
HETATM    3  OXT UNL     1      -3.558   3.736  -1.077  1.00  0.00           O  
HETATM    4  CA  UNL     1      -1.977   2.230   0.032  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.781   2.786   0.041  1.00  0.00           N  
HETATM    6  C   UNL     1       0.338   2.058   0.032  1.00  0.00           C  
HETATM    7  C   UNL     1       1.600   2.681   0.041  1.00  0.00           C  
HETATM    8  C   UNL     1       2.729   1.923   0.031  1.00  0.00           C  
HETATM    9  C   UNL     1       2.661   0.531   0.010  1.00  0.00           C  
HETATM   10  I   UNL     1       4.429  -0.592  -0.006  1.00  0.00           I  
HETATM   11  C   UNL     1       1.457  -0.108   0.002  1.00  0.00           C  
HETATM   12  C   UNL     1       0.273   0.641   0.012  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.993   0.012   0.003  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.129   0.830   0.018  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.290  -0.073   0.010  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.669   0.132   0.014  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.523  -0.949   0.004  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.016  -2.240  -0.010  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.654  -2.459  -0.014  1.00  0.00           C  
HETATM   20 CL   UNL     1      -3.036  -4.081  -0.032  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -2.775  -1.379  -0.005  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.395  -1.299  -0.016  1.00  0.00           N  
HETATM   23  HXT UNL     1      -4.348   4.291  -1.020  1.00  0.00           H  
HETATM   24  H   UNL     1       1.671   3.759   0.056  1.00  0.00           H  
HETATM   25  H   UNL     1       3.695   2.407   0.038  1.00  0.00           H  
HETATM   26  H   UNL     1       1.416  -1.187  -0.014  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.068   1.136   0.026  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.591  -0.791   0.007  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.693  -3.081  -0.017  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.795  -2.062  -0.027  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   23                                                 
CONECT    4    5    2   14   14                                       
CONECT    5    6    6    4                                            
CONECT    6    7    5    5   12                                       
CONECT    7    8    8    6   24                                       
CONECT    8    7    7    9   25                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9                                                      
CONECT   11    9    9   12   26                                       
CONECT   12    6   11   13   13                                       
CONECT   13   12   12   14   22                                       
CONECT   14    4    4   13   15                                       
CONECT   15   14   21   21   16                                       
CONECT   16   15   17   17   27                                       
CONECT   17   16   16   18   28                                       
CONECT   18   19   19   17   29                                       
CONECT   19   21   20   18   18                                       
CONECT   20   19                                                      
CONECT   21   22   15   15   19                                       
CONECT   22   13   21   30                                            
CONECT   23    3                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   11                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30   22                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
