COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.993  -0.400   1.043  1.00  0.00           O  
HETATM    2  C   UNL     1       3.416   0.068   0.090  1.00  0.00           C  
HETATM    3  OXT UNL     1       3.900   1.164  -0.515  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.158  -0.582  -0.424  1.00  0.00           C  
HETATM    5  N   UNL     1       2.096  -1.972   0.049  1.00  0.00           N  
HETATM    6  C   UNL     1       0.939   0.186   0.092  1.00  0.00           C  
HETATM    7  O   UNL     1       0.999   1.538  -0.368  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.339  -0.474  -0.429  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.557   0.217   0.186  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.781  -0.416  -0.313  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.009   0.040   0.103  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.085   1.034   0.943  1.00  0.00           N  
HETATM   13  N   UNL     1      -5.158  -0.554  -0.365  1.00  0.00           N  
HETATM   14  HXT UNL     1       4.712   1.544  -0.152  1.00  0.00           H  
HETATM   15  HA  UNL     1       2.161  -0.569  -1.514  1.00  0.00           H  
HETATM   16  H1  UNL     1       2.092  -2.011   1.058  1.00  0.00           H  
HETATM   17  H2  UNL     1       1.294  -2.449  -0.334  1.00  0.00           H  
HETATM   18  H   UNL     1       0.936   0.173   1.182  1.00  0.00           H  
HETATM   19  H   UNL     1       1.005   1.625  -1.331  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.378  -0.382  -1.515  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.341  -1.529  -0.153  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.518   0.125   1.271  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.555   1.271  -0.090  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.724  -1.156  -0.938  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.952   1.355   1.237  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.101  -1.294  -0.990  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.024  -0.233  -0.071  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   14                                                 
CONECT    4    2    5    6   15                                       
CONECT    5    4   16   17                                            
CONECT    6    4    7    8   18                                       
CONECT    7    6   19                                                 
CONECT    8    6    9   20   21                                       
CONECT    9    8   10   22   23                                       
CONECT   10    9   11   24                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11   25                                            
CONECT   13   11   26   27                                            
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
