COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.742  -0.165   0.435  1.00  0.00           C  
HETATM    2  N   UNL     1       4.598   0.875   0.681  1.00  0.00           N  
HETATM    3  C   UNL     1       4.100   1.960   0.049  1.00  0.00           C  
HETATM    4  N   UNL     1       2.996   1.620  -0.558  1.00  0.00           N  
HETATM    5  C   UNL     1       2.751   0.320  -0.338  1.00  0.00           C  
HETATM    6  C   UNL     1       1.574  -0.461  -0.862  1.00  0.00           C  
HETATM    7  N   UNL     1       0.430  -0.289   0.042  1.00  0.00           N  
HETATM    8  CA  UNL     1      -0.739  -1.038  -0.439  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.655  -2.463   0.044  1.00  0.00           C  
HETATM   10  OXT UNL     1      -1.621  -3.338  -0.277  1.00  0.00           O  
HETATM   11  O   UNL     1       0.282  -2.818   0.719  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.016  -0.392   0.100  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.165   1.012  -0.490  1.00  0.00           C  
HETATM   14  B   UNL     1      -3.476   1.676   0.062  1.00  0.00           B  
HETATM   15  O   UNL     1      -3.548   3.086   0.217  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.591   0.866   0.407  1.00  0.00           O  
HETATM   17  H   UNL     1       3.844  -1.180   0.789  1.00  0.00           H  
HETATM   18  H   UNL     1       5.410   0.840   1.210  1.00  0.00           H  
HETATM   19  H   UNL     1       4.542   2.945   0.046  1.00  0.00           H  
HETATM   20  H   UNL     1       1.311  -0.098  -1.856  1.00  0.00           H  
HETATM   21  H   UNL     1       1.836  -1.518  -0.919  1.00  0.00           H  
HETATM   22  H   UNL     1       0.208   0.688   0.162  1.00  0.00           H  
HETATM   23  HA  UNL     1      -0.756  -1.024  -1.529  1.00  0.00           H  
HETATM   24  HXT UNL     1      -1.524  -4.241   0.056  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.877  -0.998  -0.183  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.960  -0.325   1.186  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.304   1.618  -0.208  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.222   0.946  -1.577  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.394   3.401   0.564  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.448  -0.080   0.268  1.00  0.00           H  
CONECT    1    5    5    2   17                                       
CONECT    2    1    3   18                                            
CONECT    3    2    4    4   19                                       
CONECT    4    5    3    3                                            
CONECT    5    6    1    1    4                                       
CONECT    6    7    5   20   21                                       
CONECT    7    8    6   22                                            
CONECT    8   12    9    7   23                                       
CONECT    9   11   11    8   10                                       
CONECT   10    9   24                                                 
CONECT   11    9    9                                                 
CONECT   12   13    8   25   26                                       
CONECT   13   14   12   27   28                                       
CONECT   14   16   15   13                                            
CONECT   15   14   29                                                 
CONECT   16   14   30                                                 
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24   10                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
