COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.357   1.066   1.988  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.183   1.533   0.742  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.056   2.720   0.554  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.147   0.578  -0.423  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.572   0.267  -0.885  1.00  0.00           C  
HETATM    6  CA  UNL     1      -2.394  -0.237   0.303  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.848  -1.519   0.768  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.827  -0.426  -0.122  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.236  -1.530  -0.394  1.00  0.00           O  
HETATM   10  OXT UNL     1      -4.650   0.632  -0.200  1.00  0.00           O  
HETATM   11  O   UNL     1       0.516  -0.636  -0.038  1.00  0.00           O  
HETATM   12  C   UNL     1       1.643  -0.850  -0.888  1.00  0.00           C  
HETATM   13  C   UNL     1       2.778  -1.563  -0.178  1.00  0.00           C  
HETATM   14  O   UNL     1       2.277  -2.751   0.437  1.00  0.00           O  
HETATM   15  C   UNL     1       3.393  -0.660   0.894  1.00  0.00           C  
HETATM   16  C   UNL     1       3.854   0.638   0.220  1.00  0.00           C  
HETATM   17  O   UNL     1       2.720   1.276  -0.362  1.00  0.00           O  
HETATM   18  C   UNL     1       2.062   0.543  -1.396  1.00  0.00           C  
HETATM   19  C   UNL     1       0.658   1.200  -1.586  1.00  0.00           C  
HETATM   20  H   UNL     1      -0.373   1.717   2.703  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.029   1.172  -1.286  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.544  -0.500  -1.659  1.00  0.00           H  
HETATM   23  HA  UNL     1      -2.349   0.493   1.112  1.00  0.00           H  
HETATM   24  H1  UNL     1      -2.333  -1.841   1.592  1.00  0.00           H  
HETATM   25  H2  UNL     1      -1.879  -2.212   0.036  1.00  0.00           H  
HETATM   26  HXT UNL     1      -5.560   0.461  -0.477  1.00  0.00           H  
HETATM   27  H   UNL     1       1.332  -1.446  -1.746  1.00  0.00           H  
HETATM   28  H   UNL     1       3.545  -1.831  -0.905  1.00  0.00           H  
HETATM   29  H   UNL     1       2.948  -3.262   0.912  1.00  0.00           H  
HETATM   30  H   UNL     1       2.647  -0.434   1.656  1.00  0.00           H  
HETATM   31  H   UNL     1       4.247  -1.160   1.351  1.00  0.00           H  
HETATM   32  H   UNL     1       4.303   1.296   0.963  1.00  0.00           H  
HETATM   33  H   UNL     1       4.583   0.408  -0.557  1.00  0.00           H  
HETATM   34  H   UNL     1       2.649   0.498  -2.314  1.00  0.00           H  
HETATM   35  H   UNL     1       0.226   0.925  -2.549  1.00  0.00           H  
HETATM   36  H   UNL     1       0.716   2.284  -1.483  1.00  0.00           H  
CONECT    1    2   20                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   11   19                                       
CONECT    5    4    6   21   22                                       
CONECT    6    5    7    8   23                                       
CONECT    7    6   24   25                                            
CONECT    8    6    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   26                                                 
CONECT   11    4   12                                                 
CONECT   12   11   13   18   27                                       
CONECT   13   12   14   15   28                                       
CONECT   14   13   29                                                 
CONECT   15   13   16   30   31                                       
CONECT   16   15   17   32   33                                       
CONECT   17   16   18                                                 
CONECT   18   12   17   19   34                                       
CONECT   19    4   18   35   36                                       
CONECT   20    1                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26   10                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
