COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.468  -1.430   0.775  1.00  0.00           C  
HETATM    2  CG  UNL     1       3.509   0.768  -0.524  1.00  0.00           C  
HETATM    3  CB  UNL     1       3.525  -0.624  -1.101  1.00  0.00           C  
HETATM    4  CA  UNL     1       2.691  -1.552  -0.215  1.00  0.00           C  
HETATM    5  C   UNL     1       2.806  -2.967  -0.721  1.00  0.00           C  
HETATM    6  O   UNL     1       1.817  -3.563  -1.077  1.00  0.00           O  
HETATM    7  OXT UNL     1       4.007  -3.564  -0.777  1.00  0.00           O  
HETATM    8  N   UNL     1       1.288  -1.133  -0.253  1.00  0.00           N  
HETATM    9  O   UNL     1       0.893  -2.041   1.735  1.00  0.00           O  
HETATM   10  CA  UNL     1      -0.954  -1.005   0.737  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.413  -0.338  -0.313  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.689   0.042  -0.345  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.193   0.721  -1.393  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.447   1.098  -1.431  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.888   1.786  -2.531  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.335   0.839  -0.428  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.943   0.163   0.676  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.723  -0.076   1.579  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.536  -0.273   0.744  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.064  -0.941   1.788  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.801  -1.316   1.806  1.00  0.00           C  
HETATM   22  HB1 UNL     1       3.103  -0.606  -2.106  1.00  0.00           H  
HETATM   23  HB2 UNL     1       4.551  -0.988  -1.143  1.00  0.00           H  
HETATM   24  HA  UNL     1       3.058  -1.502   0.810  1.00  0.00           H  
HETATM   25  HXT UNL     1       4.030  -4.472  -1.108  1.00  0.00           H  
HETATM   26  H   UNL     1       0.949  -0.641  -1.017  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.276   1.982  -3.258  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.812   2.076  -2.584  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.253   1.142  -0.508  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.414  -1.860   2.656  1.00  0.00           H  
HETATM   31  CD1 UNL     1       4.477   1.149   0.387  1.00  0.00           C  
HETATM   32  CE1 UNL     1       4.464   2.424   0.917  1.00  0.00           C  
HETATM   33  CZ  UNL     1       3.481   3.324   0.534  1.00  0.00           C  
HETATM   34  CE2 UNL     1       2.511   2.940  -0.381  1.00  0.00           C  
HETATM   35  CD2 UNL     1       2.531   1.665  -0.912  1.00  0.00           C  
HETATM   36  OH  UNL     1       3.466   4.580   1.054  1.00  0.00           O  
HETATM   37  HD1 UNL     1       5.242   0.448   0.686  1.00  0.00           H  
HETATM   38  HE1 UNL     1       5.220   2.721   1.630  1.00  0.00           H  
HETATM   39  HE2 UNL     1       1.744   3.639  -0.681  1.00  0.00           H  
HETATM   40  HD2 UNL     1       1.776   1.366  -1.625  1.00  0.00           H  
HETATM   41  HH  UNL     1       3.976   5.223   0.543  1.00  0.00           H  
CONECT    1    8   10    9    9                                       
CONECT    2    3   31   35   35                                       
CONECT    3    2    4   22   23                                       
CONECT    4    3    5    8   24                                       
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   25                                                 
CONECT    8    4    1   26                                            
CONECT    9    1    1                                                 
CONECT   10   21    1   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12   19   19   11   13                                       
CONECT   13   12   14   14                                            
CONECT   14   16   13   13   15                                       
CONECT   15   14   27   28                                            
CONECT   16   17   14   29                                            
CONECT   17   18   18   19   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   12   12                                       
CONECT   20   21   21   19                                            
CONECT   21   20   20   10   30                                       
CONECT   22    3                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   21                                                      
CONECT   31    2   32   32   37                                       
CONECT   32   31   31   33   38                                       
CONECT   33   32   34   34   36                                       
CONECT   34   33   33   35   39                                       
CONECT   35   34    2    2   40                                       
CONECT   36   33   41                                                 
CONECT   37   31                                                      
CONECT   38   32                                                      
CONECT   39   34                                                      
CONECT   40   35                                                      
CONECT   41   36                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
