COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.663  -0.112  -0.480  1.00  0.00           C  
HETATM    2  C   UNL     1       4.628   1.946   0.009  1.00  0.00           C  
HETATM    3  C   UNL     1       4.478   1.149  -1.110  1.00  0.00           C  
HETATM    4  C   UNL     1       3.375   0.325  -1.230  1.00  0.00           C  
HETATM    5  C   UNL     1       2.421   0.297  -0.229  1.00  0.00           C  
HETATM    6  C   UNL     1       2.571   1.094   0.891  1.00  0.00           C  
HETATM    7  C   UNL     1       3.674   1.918   1.010  1.00  0.00           C  
HETATM    8  CA  UNL     1       1.218  -0.601  -0.359  1.00  0.00           C  
HETATM    9  C   UNL     1       1.434  -1.851   0.455  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.192  -0.248  -0.320  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.415   0.474   0.184  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.886   0.611   0.023  1.00  0.00           C  
HETATM   13  N   UNL     1       0.029   0.101   0.130  1.00  0.00           N  
HETATM   14  O   UNL     1       0.673  -2.127   1.352  1.00  0.00           O  
HETATM   15  OXT UNL     1       2.472  -2.658   0.183  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.307  -1.143  -1.130  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.772   1.503   0.830  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.103   0.263  -0.425  1.00  0.00           O  
HETATM   19  H   UNL     1      -3.590   0.008  -1.561  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.741  -1.171  -0.236  1.00  0.00           H  
HETATM   21  H   UNL     1       5.492   2.586   0.105  1.00  0.00           H  
HETATM   22  H   UNL     1       5.223   1.171  -1.892  1.00  0.00           H  
HETATM   23  H   UNL     1       3.257  -0.297  -2.105  1.00  0.00           H  
HETATM   24  H   UNL     1       1.826   1.073   1.672  1.00  0.00           H  
HETATM   25  H   UNL     1       3.791   2.541   1.885  1.00  0.00           H  
HETATM   26  HA  UNL     1       1.077  -0.869  -1.406  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.338   1.534  -0.060  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.489   0.355   1.265  1.00  0.00           H  
HETATM   29  H   UNL     1       0.121   0.817   0.778  1.00  0.00           H  
HETATM   30  HXT UNL     1       2.569  -3.448   0.732  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.857   0.755  -0.073  1.00  0.00           H  
CONECT    1   12   11   19   20                                       
CONECT    2    7    7    3   21                                       
CONECT    3    2    4    4   22                                       
CONECT    4    3    3    5   23                                       
CONECT    5    6    6    4    8                                       
CONECT    6    7    5    5   24                                       
CONECT    7    2    2    6   25                                       
CONECT    8    5    9   13   26                                       
CONECT    9   14   14    8   15                                       
CONECT   10   16   16   13   11                                       
CONECT   11    1   10   27   28                                       
CONECT   12    1   17   17   18                                       
CONECT   13    8   10   29                                            
CONECT   14    9    9                                                 
CONECT   15    9   30                                                 
CONECT   16   10   10                                                 
CONECT   17   12   12                                                 
CONECT   18   12   31                                                 
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   13                                                      
CONECT   30   15                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
