COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.384   2.221  -0.199  1.00  0.00           C  
HETATM    2  N   UNL     1       2.122  -2.734   0.390  1.00  0.00           N  
HETATM    3  O   UNL     1       2.940   1.081  -0.231  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.535   0.396   0.848  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.059   0.055  -0.161  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.083  -1.087   0.132  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.493  -0.432   0.052  1.00  0.00           C  
HETATM    8  N   UNL     1       5.134   0.785  -0.046  1.00  0.00           N  
HETATM    9  N   UNL     1       1.290  -0.620  -0.073  1.00  0.00           N  
HETATM   10  N   UNL     1       3.641  -1.006   0.065  1.00  0.00           N  
HETATM   11  N   UNL     1      -3.273   1.785   0.741  1.00  0.00           N  
HETATM   12  C   UNL     1       2.345  -1.477   0.132  1.00  0.00           C  
HETATM   13  C   UNL     1       3.871   0.314  -0.076  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.883   0.198  -0.150  1.00  0.00           C  
HETATM   15  CA  UNL     1      -3.469   0.710  -0.241  1.00  0.00           C  
HETATM   16  H   UNL     1       6.456   2.410  -0.148  1.00  0.00           H  
HETATM   17  H   UNL     1       5.001   2.555  -1.163  1.00  0.00           H  
HETATM   18  H   UNL     1       4.881   2.764   0.601  1.00  0.00           H  
HETATM   19  H   UNL     1       2.865  -3.354   0.462  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.854   0.889   0.510  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.936   0.382  -1.194  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.206  -1.413   1.164  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.288  -1.921  -0.540  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.697  -1.266  -0.619  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.616  -0.759   1.085  1.00  0.00           H  
HETATM   26  H   UNL     1       5.877   0.174   0.078  1.00  0.00           H  
HETATM   27  H   UNL     1       1.455   0.294  -0.352  1.00  0.00           H  
HETATM   28  H   UNL     1       4.386  -1.625   0.119  1.00  0.00           H  
HETATM   29  H1  UNL     1      -3.437   1.452   1.679  1.00  0.00           H  
HETATM   30  H2  UNL     1      -2.352   2.189   0.656  1.00  0.00           H  
HETATM   31  OXT UNL     1      -5.419  -0.479  -1.178  1.00  0.00           O  
HETATM   32  HA  UNL     1      -3.286   1.095  -1.244  1.00  0.00           H  
HETATM   33  HXT UNL     1      -6.330  -0.788  -1.073  1.00  0.00           H  
CONECT    1    8   16   17   18                                       
CONECT    2   12   12   19                                            
CONECT    3   13   13                                                 
CONECT    4   14   14                                                 
CONECT    5    6    7   20   21                                       
CONECT    6    5    9   22   23                                       
CONECT    7    5   15   24   25                                       
CONECT    8    1   13   26                                            
CONECT    9    6   12   27                                            
CONECT   10   12   13   28                                            
CONECT   11   15   29   30                                            
CONECT   12    2    2    9   10                                       
CONECT   13    3    3    8   10                                       
CONECT   14    4    4   15   31                                       
CONECT   15    7   11   14   32                                       
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   14   33                                                 
CONECT   32   15                                                      
CONECT   33   31                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
