COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.114  -1.841   0.393  1.00  0.00           O  
HETATM    2  C   UNL     1       3.865  -0.675   0.194  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.805   0.259   0.411  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.501  -0.271  -0.303  1.00  0.00           C  
HETATM    5  N   UNL     1       1.838  -1.431  -0.912  1.00  0.00           N  
HETATM    6  C   UNL     1       1.661   0.239   0.870  1.00  0.00           C  
HETATM    7  C   UNL     1       0.323   0.766   0.348  1.00  0.00           C  
HETATM    8  C   UNL     1       0.561   1.798  -0.724  1.00  0.00           C  
HETATM    9  O   UNL     1       0.567   2.972  -0.441  1.00  0.00           O  
HETATM   10  O   UNL     1       0.768   1.412  -1.993  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.483   1.389   1.506  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.458  -0.322  -0.184  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.300  -0.776   0.886  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.774   0.524   1.575  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.753   1.186   0.773  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.891   0.406   0.417  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.423  -0.776  -0.441  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.753  -0.291  -1.606  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.455  -1.621   0.389  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.947  -2.689  -0.414  1.00  0.00           O  
HETATM   21  HXT UNL     1       5.665  -0.050   0.725  1.00  0.00           H  
HETATM   22  HA  UNL     1       2.605   0.520  -1.046  1.00  0.00           H  
HETATM   23  H1  UNL     1       1.730  -2.178  -0.243  1.00  0.00           H  
HETATM   24  H2  UNL     1       0.948  -1.171  -1.311  1.00  0.00           H  
HETATM   25  H   UNL     1       1.482  -0.577   1.570  1.00  0.00           H  
HETATM   26  H   UNL     1       2.195   1.043   1.377  1.00  0.00           H  
HETATM   27  H   UNL     1       0.916   2.110  -2.645  1.00  0.00           H  
HETATM   28  H   UNL     1       0.075   1.319   2.440  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.729   2.427   1.284  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.710  -1.366   1.588  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.110   0.356   2.598  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.377   0.034   1.319  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.591   1.017  -0.153  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.281  -1.381  -0.734  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.303   0.269  -2.172  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.990  -2.037   1.243  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.631  -3.274  -0.768  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   21                                                 
CONECT    4    2    5    6   22                                       
CONECT    5    4   23   24                                            
CONECT    6    4    7   25   26                                       
CONECT    7    6    8   11   12                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   27                                                 
CONECT   11    7   14   28   29                                       
CONECT   12    7   13                                                 
CONECT   13   12   14   19   30                                       
CONECT   14   11   13   15   31                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   32   33                                       
CONECT   17   16   18   19   34                                       
CONECT   18   17   35                                                 
CONECT   19   13   17   20   36                                       
CONECT   20   19   37                                                 
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
