COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.761   1.792  -0.112  1.00  0.00           N1+
HETATM    2  CA  UNL     1      -2.664   0.372  -0.476  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.860  -0.368   0.067  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.208  -1.555  -0.454  1.00  0.00           O  
HETATM    5  OXT UNL     1      -4.505   0.108   0.971  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.385  -0.221   0.119  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.167   0.445  -0.525  1.00  0.00           C  
HETATM    8  C   UNL     1       1.112  -0.147   0.069  1.00  0.00           C  
HETATM    9  C   UNL     1       2.330   0.519  -0.575  1.00  0.00           C  
HETATM   10  B   UNL     1       3.665  -0.100   0.045  1.00  0.00           B1-
HETATM   11  O   UNL     1       3.700  -1.444  -0.198  1.00  0.00           O  
HETATM   12  O   UNL     1       4.753   0.496  -0.530  1.00  0.00           O  
HETATM   13  O   UNL     1       3.685   0.121   1.394  1.00  0.00           O  
HETATM   14  H1  UNL     1      -3.604   2.183  -0.504  1.00  0.00           H  
HETATM   15  H2  UNL     1      -1.960   2.287  -0.476  1.00  0.00           H  
HETATM   16  H3  UNL     1      -2.784   1.881   0.892  1.00  0.00           H  
HETATM   17  HA  UNL     1      -2.639   0.275  -1.561  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.975  -2.030  -0.105  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.369  -0.045   1.194  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.357  -1.293  -0.075  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.184   0.270  -1.601  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.195   1.518  -0.332  1.00  0.00           H  
HETATM   23  H   UNL     1       1.128   0.028   1.144  1.00  0.00           H  
HETATM   24  H   UNL     1       1.140  -1.220  -0.125  1.00  0.00           H  
HETATM   25  H   UNL     1       2.313   0.343  -1.651  1.00  0.00           H  
HETATM   26  H   UNL     1       2.302   1.591  -0.382  1.00  0.00           H  
HETATM   27  H   UNL     1       2.917  -1.825   0.224  1.00  0.00           H  
HETATM   28  H   UNL     1       4.690   1.441  -0.336  1.00  0.00           H  
HETATM   29  H   UNL     1       4.506  -0.267   1.728  1.00  0.00           H  
CONECT    1    2   14   15   16                                       
CONECT    2    1    3    6   17                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   18                                                 
CONECT    5    3    3                                                 
CONECT    6    2    7   19   20                                       
CONECT    7    6    8   21   22                                       
CONECT    8    7    9   23   24                                       
CONECT    9    8   10   25   26                                       
CONECT   10    9   11   12   13                                       
CONECT   11   10   27                                                 
CONECT   12   10   28                                                 
CONECT   13   10   29                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    4                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
