COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.630   0.317  -0.178  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.017   0.134  -0.146  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.854   1.237  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.314   2.506   0.108  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.941   2.687   0.076  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.099   1.606  -0.065  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.732  -0.844  -0.323  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.196  -1.964  -0.416  1.00  0.00           O  
HETATM    9  N   UNL     1      -0.396  -0.664  -0.354  1.00  0.00           N  
HETATM   10  O   UNL     1      -4.543  -1.112  -0.254  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.203   1.067   0.030  1.00  0.00           O  
HETATM   12  CA  UNL     1       0.495  -1.817  -0.499  1.00  0.00           C  
HETATM   13  C   UNL     1       0.754  -2.425   0.856  1.00  0.00           C  
HETATM   14  CB  UNL     1       1.820  -1.363  -1.115  1.00  0.00           C  
HETATM   15  OG  UNL     1       2.499  -0.466  -0.197  1.00  0.00           O  
HETATM   16  OXT UNL     1       1.549  -3.501   0.968  1.00  0.00           O  
HETATM   17  O   UNL     1       0.245  -1.945   1.841  1.00  0.00           O  
HETATM   18  C   UNL     1       3.684   0.026  -0.590  1.00  0.00           C  
HETATM   19  O   UNL     1       4.140  -0.284  -1.666  1.00  0.00           O  
HETATM   20  CA  UNL     1       4.447   0.963   0.309  1.00  0.00           C  
HETATM   21  N   UNL     1       5.861   0.981  -0.088  1.00  0.00           N  
HETATM   22  C   UNL     1       3.865   2.373   0.188  1.00  0.00           C  
HETATM   23  O   UNL     1       4.510   3.237   1.125  1.00  0.00           O  
HETATM   24  H   UNL     1      -4.966   3.360   0.219  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.528   3.681   0.163  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.030   1.753  -0.089  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.026   0.229  -0.280  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.663  -1.564   0.592  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.561   0.927   0.917  1.00  0.00           H  
HETATM   30  HA  UNL     1       0.028  -2.559  -1.147  1.00  0.00           H  
HETATM   31  HB1 UNL     1       2.449  -2.233  -1.305  1.00  0.00           H  
HETATM   32  HB2 UNL     1       1.625  -0.844  -2.053  1.00  0.00           H  
HETATM   33  HXT UNL     1       1.685  -3.856   1.857  1.00  0.00           H  
HETATM   34  HA  UNL     1       4.364   0.624   1.342  1.00  0.00           H  
HETATM   35  H1  UNL     1       6.286   0.076   0.045  1.00  0.00           H  
HETATM   36  H2  UNL     1       5.965   1.293  -1.042  1.00  0.00           H  
HETATM   37  H1  UNL     1       4.028   2.747  -0.823  1.00  0.00           H  
HETATM   38  H2  UNL     1       2.796   2.344   0.396  1.00  0.00           H  
HETATM   39  H   UNL     1       4.190   4.150   1.103  1.00  0.00           H  
CONECT    1    7    2    2    6                                       
CONECT    2    1    1   10    3                                       
CONECT    3    2   11    4    4                                       
CONECT    4    3    3    5   24                                       
CONECT    5    4    6    6   25                                       
CONECT    6    1    5    5   26                                       
CONECT    7    1    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    7   12   27                                            
CONECT   10    2   28                                                 
CONECT   11    3   29                                                 
CONECT   12    9   13   14   30                                       
CONECT   13   12   17   17   16                                       
CONECT   14   12   15   31   32                                       
CONECT   15   14   18                                                 
CONECT   16   13   33                                                 
CONECT   17   13   13                                                 
CONECT   18   15   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   18   22   21   34                                       
CONECT   21   20   35   36                                            
CONECT   22   20   23   37   38                                       
CONECT   23   22   39                                                 
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
