COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.659  -0.828  -0.038  1.00  0.00           O  
HETATM    2  C   UNL     1       3.955   0.143  -0.186  1.00  0.00           C  
HETATM    3  CA  UNL     1       2.479  -0.028  -0.435  1.00  0.00           C  
HETATM    4  N   UNL     1       2.219  -1.389  -0.923  1.00  0.00           N  
HETATM    5  C   UNL     1       1.712   0.202   0.869  1.00  0.00           C  
HETATM    6  C   UNL     1       0.231   0.153   0.596  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.446   1.311   0.257  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.803   1.272   0.006  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.490   0.062   0.094  1.00  0.00           C  
HETATM   10  B   UNL     1      -4.033   0.011  -0.192  1.00  0.00           B  
HETATM   11  O   UNL     1      -4.732  -1.222  -0.101  1.00  0.00           O  
HETATM   12  O   UNL     1      -4.731   1.198  -0.540  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.803  -1.101   0.435  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.446  -1.051   0.679  1.00  0.00           C  
HETATM   15  HA  UNL     1       2.151   0.695  -1.182  1.00  0.00           H  
HETATM   16  H1  UNL     1       2.662  -1.544  -1.816  1.00  0.00           H  
HETATM   17  H2  UNL     1       2.515  -2.078  -0.248  1.00  0.00           H  
HETATM   18  H   UNL     1       1.975  -0.575   1.587  1.00  0.00           H  
HETATM   19  H   UNL     1       1.974   1.178   1.278  1.00  0.00           H  
HETATM   20  H   UNL     1       0.087   2.247   0.189  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.330   2.176  -0.258  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.677  -1.154  -0.294  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.676   1.067  -0.696  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.331  -2.041   0.504  1.00  0.00           H  
HETATM   25  H   UNL     1       0.088  -1.953   0.940  1.00  0.00           H  
HETATM   26  OXT UNL     1       4.488   1.373  -0.123  1.00  0.00           O  
HETATM   27  HXT UNL     1       5.438   1.433   0.043  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   26                                       
CONECT    3    4    5    2   15                                       
CONECT    4    3   16   17                                            
CONECT    5    3    6   18   19                                       
CONECT    6    7    5   14   14                                       
CONECT    7    8    8    6   20                                       
CONECT    8    7    7    9   21                                       
CONECT    9    8   10   13   13                                       
CONECT   10   11    9   12                                            
CONECT   11   10   22                                                 
CONECT   12   10   23                                                 
CONECT   13    9    9   14   24                                       
CONECT   14    6    6   13   25                                       
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    7                                                      
CONECT   21    8                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26    2   27                                                 
CONECT   27   26                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
