COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.766   1.809   0.144  1.00  0.00           N  
HETATM    2  CA  UNL     1       2.673   0.384   0.486  1.00  0.00           C  
HETATM    3  C   UNL     1       3.871  -0.345  -0.067  1.00  0.00           C  
HETATM    4  O   UNL     1       4.515   0.146  -0.964  1.00  0.00           O  
HETATM    5  OXT UNL     1       4.221  -1.539   0.436  1.00  0.00           O  
HETATM    6  C   UNL     1       1.396  -0.203  -0.118  1.00  0.00           C  
HETATM    7  C   UNL     1       0.176   0.450   0.535  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.102  -0.136  -0.069  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.321   0.517   0.584  1.00  0.00           C  
HETATM   10  B   UNL     1      -3.655  -0.095  -0.046  1.00  0.00           B1-
HETATM   11  O   UNL     1      -3.686  -1.444   0.177  1.00  0.00           O  
HETATM   12  O   UNL     1      -4.744   0.489   0.538  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.675   0.145  -1.391  1.00  0.00           O  
HETATM   14  H1  UNL     1       3.667   2.127   0.470  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.787   1.865  -0.863  1.00  0.00           H  
HETATM   16  HA  UNL     1       2.648   0.271   1.570  1.00  0.00           H  
HETATM   17  HXT UNL     1       4.990  -2.006   0.081  1.00  0.00           H  
HETATM   18  H   UNL     1       1.379  -0.011  -1.191  1.00  0.00           H  
HETATM   19  H   UNL     1       1.370  -1.278   0.060  1.00  0.00           H  
HETATM   20  H   UNL     1       0.192   0.259   1.608  1.00  0.00           H  
HETATM   21  H   UNL     1       0.201   1.526   0.358  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.118   0.055  -1.142  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.127  -1.211   0.109  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.305   0.326   1.657  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.296   1.592   0.407  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.903  -1.816  -0.250  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.683   1.437   0.358  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.494  -0.240  -1.732  1.00  0.00           H  
CONECT    1    2   14   15                                            
CONECT    2    1    3    6   16                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   17                                                 
CONECT    6    2    7   18   19                                       
CONECT    7    6    8   20   21                                       
CONECT    8    7    9   22   23                                       
CONECT    9    8   10   24   25                                       
CONECT   10    9   11   12   13                                       
CONECT   11   10   26                                                 
CONECT   12   10   27                                                 
CONECT   13   10   28                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
