COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.881   0.124   0.003  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.642   0.651  -0.003  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.495   1.857  -0.008  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.461  -0.237  -0.002  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.178   0.307  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.628  -1.624   0.004  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.526  -2.456   0.005  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.252  -1.923  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.070  -0.538  -0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       0.295   0.030  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       0.458   1.398   0.002  1.00  0.00           C  
HETATM   12  N   UNL     1       1.365  -0.808  -0.002  1.00  0.00           N  
HETATM   13  CA  UNL     1       2.654  -0.334  -0.002  1.00  0.00           C  
HETATM   14  C   UNL     1       3.781  -1.283  -0.001  1.00  0.00           C  
HETATM   15  OXT UNL     1       5.048  -0.823  -0.001  1.00  0.00           O  
HETATM   16  O   UNL     1       3.569  -2.479   0.000  1.00  0.00           O  
HETATM   17  C   UNL     1       2.898   1.011  -0.003  1.00  0.00           C  
HETATM   18  O   UNL     1       4.170   1.481  -0.004  1.00  0.00           O  
HETATM   19  C   UNL     1       1.757   1.938   0.008  1.00  0.00           C  
HETATM   20  O   UNL     1       1.933   3.147   0.007  1.00  0.00           O  
HETATM   21  H   UNL     1      -6.623   0.745   0.002  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.043   1.378  -0.003  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.622  -2.047   0.009  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.661  -3.527   0.010  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.394  -2.580   0.000  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.403   2.050   0.002  1.00  0.00           H  
HETATM   27  HXT UNL     1       5.755  -1.484  -0.001  1.00  0.00           H  
HETATM   28  H   UNL     1       4.232   2.446  -0.004  1.00  0.00           H  
HETATM   29  H   UNL     1       1.215  -1.766  -0.001  1.00  0.00           H  
CONECT    1    2   21                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2    6    6                                       
CONECT    5    9    9    4   22                                       
CONECT    6    4    4    7   23                                       
CONECT    7    8    8    6   24                                       
CONECT    8    9    7    7   25                                       
CONECT    9   10    5    5    8                                       
CONECT   10   11   11   12    9                                       
CONECT   11   19   10   10   26                                       
CONECT   12   13   10   29                                            
CONECT   13   17   17   14   12                                       
CONECT   14   16   16   13   15                                       
CONECT   15   14   27                                                 
CONECT   16   14   14                                                 
CONECT   17   18   19   13   13                                       
CONECT   18   17   28                                                 
CONECT   19   20   20   17   11                                       
CONECT   20   19   19                                                 
CONECT   21    1                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   11                                                      
CONECT   27   15                                                      
CONECT   28   18                                                      
CONECT   29   12                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
