COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OE1 UNL     1       4.545   0.489   0.586  1.00  0.00           O  
HETATM    2  CD  UNL     1       3.847   1.323   0.060  1.00  0.00           C  
HETATM    3  OE2 UNL     1       4.323   2.561  -0.150  1.00  0.00           O  
HETATM    4  CG  UNL     1       2.444   0.973  -0.365  1.00  0.00           C  
HETATM    5  CB  UNL     1       2.157  -0.490  -0.019  1.00  0.00           C  
HETATM    6  CA  UNL     1       0.733  -0.845  -0.450  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.228  -0.064   0.339  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.496   0.097  -0.384  1.00  0.00           C  
HETATM    9  CA  UNL     1      -2.469   0.915   0.468  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.621   0.279   1.783  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.809   0.976  -0.219  1.00  0.00           C  
HETATM   12  OXT UNL     1      -4.010   1.844  -1.222  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.703   0.243   0.134  1.00  0.00           O  
HETATM   14  C   UNL     1       0.491  -2.316  -0.223  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.390  -2.675   0.521  1.00  0.00           O  
HETATM   16  OXT UNL     1       1.256  -3.226  -0.846  1.00  0.00           O  
HETATM   17  HE2 UNL     1       5.229   2.737   0.136  1.00  0.00           H  
HETATM   18  HG1 UNL     1       1.735   1.616   0.157  1.00  0.00           H  
HETATM   19  HG2 UNL     1       2.343   1.118  -1.440  1.00  0.00           H  
HETATM   20  HB1 UNL     1       2.866  -1.133  -0.540  1.00  0.00           H  
HETATM   21  HB2 UNL     1       2.258  -0.635   1.057  1.00  0.00           H  
HETATM   22  HA  UNL     1       0.606  -0.616  -1.508  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.378  -0.483   1.244  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.314   0.615  -1.326  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.926  -0.884  -0.586  1.00  0.00           H  
HETATM   26  HA  UNL     1      -2.080   1.925   0.595  1.00  0.00           H  
HETATM   27  H1  UNL     1      -2.981  -0.659   1.692  1.00  0.00           H  
HETATM   28  H2  UNL     1      -1.749   0.285   2.291  1.00  0.00           H  
HETATM   29  HXT UNL     1      -4.886   1.847  -1.632  1.00  0.00           H  
HETATM   30  HXT UNL     1       1.064  -4.156  -0.669  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   17                                                 
CONECT    4    5    2   18   19                                       
CONECT    5    6    4   20   21                                       
CONECT    6   14    7    5   22                                       
CONECT    7    6    8   23                                            
CONECT    8    7    9   24   25                                       
CONECT    9   10    8   11   26                                       
CONECT   10    9   27   28                                            
CONECT   11    9   13   13   12                                       
CONECT   12   11   29                                                 
CONECT   13   11   11                                                 
CONECT   14   15   15   16    6                                       
CONECT   15   14   14                                                 
CONECT   16   14   30                                                 
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   12                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
