COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       0.327  -0.637  -0.370  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.149  -0.568   0.025  1.00  0.00           C  
HETATM    3  OXT UNL     1       0.323  -3.090  -0.645  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.855  -0.246   0.661  1.00  0.00           O  
HETATM    5  B   UNL     1      -3.244   0.854   0.003  1.00  0.00           B  
HETATM    6  O   UNL     1      -4.003   2.018  -0.290  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.728   0.783  -0.402  1.00  0.00           C  
HETATM    8  C   UNL     1       0.866  -2.010  -0.061  1.00  0.00           C  
HETATM    9  O   UNL     1       1.786  -2.139   0.712  1.00  0.00           O  
HETATM   10  N   UNL     1       1.084   0.368   0.389  1.00  0.00           N  
HETATM   11  C   UNL     1       2.308   0.756  -0.326  1.00  0.00           C  
HETATM   12  C   UNL     1       3.068   1.801   0.494  1.00  0.00           C  
HETATM   13  N   UNL     1       4.291   2.189  -0.221  1.00  0.00           N  
HETATM   14  HA  UNL     1       0.428  -0.438  -1.436  1.00  0.00           H  
HETATM   15  H   UNL     1      -1.696  -1.370  -0.471  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.242  -0.678   1.105  1.00  0.00           H  
HETATM   17  HXT UNL     1       0.702  -3.950  -0.416  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.259  -0.991   0.818  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.925   1.968  -0.003  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.182   1.585   0.094  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.635   0.893  -1.482  1.00  0.00           H  
HETATM   22  H   UNL     1       0.513   1.174   0.592  1.00  0.00           H  
HETATM   23  H   UNL     1       2.938  -0.122  -0.470  1.00  0.00           H  
HETATM   24  H   UNL     1       2.044   1.176  -1.296  1.00  0.00           H  
HETATM   25  H   UNL     1       2.437   2.678   0.638  1.00  0.00           H  
HETATM   26  H   UNL     1       3.332   1.380   1.464  1.00  0.00           H  
HETATM   27  H   UNL     1       4.077   2.522  -1.149  1.00  0.00           H  
HETATM   28  H   UNL     1       4.811   2.879   0.300  1.00  0.00           H  
CONECT    1    2    8   10   14                                       
CONECT    2    7    1   15   16                                       
CONECT    3    8   17                                                 
CONECT    4    5   18                                                 
CONECT    5    4    6    7                                            
CONECT    6    5   19                                                 
CONECT    7    5    2   20   21                                       
CONECT    8    9    9    1    3                                       
CONECT    9    8    8                                                 
CONECT   10    1   11   22                                            
CONECT   11   10   12   23   24                                       
CONECT   12   11   13   25   26                                       
CONECT   13   12   27   28                                            
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
