COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.437   0.884   4.761  1.00  0.00           O  
HETATM    2  O   UNL     1       0.307  -0.481   6.080  1.00  0.00           O  
HETATM    3  C   UNL     1       0.608   0.012   4.869  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.087  -0.520   3.644  1.00  0.00           C  
HETATM    5  C   UNL     1       0.434   0.206   2.403  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.093  -1.202   1.286  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.261  -0.327   1.178  1.00  0.00           C  
HETATM    8  N   UNL     1       0.040   0.168  -0.038  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.836  -0.062  -2.020  1.00  0.00           O  
HETATM   10  OXT UNL     1      -1.934   1.747  -1.130  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.883   0.455  -1.489  1.00  0.00           C  
HETATM   12  CA  UNL     1      -0.635  -0.349  -1.229  1.00  0.00           C  
HETATM   13  C   UNL     1       0.286  -0.244  -2.416  1.00  0.00           C  
HETATM   14  C   UNL     1       1.224   0.768  -2.475  1.00  0.00           C  
HETATM   15  C   UNL     1       0.189  -1.158  -3.449  1.00  0.00           C  
HETATM   16  C   UNL     1       2.073   0.862  -3.562  1.00  0.00           C  
HETATM   17  C   UNL     1       1.035  -1.062  -4.538  1.00  0.00           C  
HETATM   18  C   UNL     1       1.977  -0.052  -4.595  1.00  0.00           C  
HETATM   19  H   UNL     1       0.754  -0.139   6.867  1.00  0.00           H  
HETATM   20  H   UNL     1       0.110  -1.588   3.549  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.161  -0.357   3.735  1.00  0.00           H  
HETATM   22  H   UNL     1       0.237   1.274   2.497  1.00  0.00           H  
HETATM   23  H   UNL     1       1.508   0.042   2.311  1.00  0.00           H  
HETATM   24  H   UNL     1       0.706   0.869  -0.124  1.00  0.00           H  
HETATM   25  HXT UNL     1      -2.734   2.264  -1.297  1.00  0.00           H  
HETATM   26  HA  UNL     1      -0.904  -1.394  -1.069  1.00  0.00           H  
HETATM   27  H   UNL     1       1.299   1.482  -1.669  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.546  -1.947  -3.405  1.00  0.00           H  
HETATM   29  H   UNL     1       2.809   1.651  -3.606  1.00  0.00           H  
HETATM   30  H   UNL     1       0.961  -1.776  -5.345  1.00  0.00           H  
HETATM   31  H   UNL     1       2.639   0.022  -5.445  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2    3   19                                                 
CONECT    3    1    1    2    4                                       
CONECT    4    3    5   20   21                                       
CONECT    5    4    7   22   23                                       
CONECT    6    7    7                                                 
CONECT    7    5    6    6    8                                       
CONECT    8    7   12   24                                            
CONECT    9   11   11                                                 
CONECT   10   11   25                                                 
CONECT   11    9    9   10   12                                       
CONECT   12    8   11   13   26                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   16   27                                       
CONECT   15   13   17   17   28                                       
CONECT   16   14   18   18   29                                       
CONECT   17   15   15   18   30                                       
CONECT   18   16   16   17   31                                       
CONECT   19    2                                                      
CONECT   20    4                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    8                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
