COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -1.277  -1.076  -4.084  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.453   0.122  -3.879  1.00  0.00           C  
HETATM    3  C   UNL     1       0.640   0.163  -4.915  1.00  0.00           C  
HETATM    4  O   UNL     1       1.086  -0.866  -5.363  1.00  0.00           O  
HETATM    5  CB  UNL     1       0.168   0.081  -2.482  1.00  0.00           C  
HETATM    6  SG  UNL     1      -1.146   0.032  -1.238  1.00  0.00           S  
HETATM    7  N   UNL     1      -1.344   1.056   4.172  1.00  0.00           N  
HETATM    8  CA  UNL     1      -0.498  -0.132   4.005  1.00  0.00           C  
HETATM    9  C   UNL     1       0.185  -0.084   2.637  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.876  -0.055   1.536  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.202  -0.007   0.189  1.00  0.00           C  
HETATM   12  O   UNL     1       1.008   0.002   0.117  1.00  0.00           O  
HETATM   13  C   UNL     1       0.547  -0.161   5.089  1.00  0.00           C  
HETATM   14  O   UNL     1       0.960   0.873   5.558  1.00  0.00           O  
HETATM   15  OXT UNL     1       1.021  -1.335   5.534  1.00  0.00           O  
HETATM   16  OXT UNL     1       1.120   1.343  -5.338  1.00  0.00           O  
HETATM   17  H1  UNL     1      -1.926  -1.116  -3.313  1.00  0.00           H  
HETATM   18  H2  UNL     1      -0.662  -1.870  -3.988  1.00  0.00           H  
HETATM   19  HA  UNL     1      -1.076   1.012  -3.974  1.00  0.00           H  
HETATM   20  HB1 UNL     1       0.779   0.970  -2.330  1.00  0.00           H  
HETATM   21  HB2 UNL     1       0.790  -0.808  -2.387  1.00  0.00           H  
HETATM   22  H1  UNL     1      -0.735   1.857   4.103  1.00  0.00           H  
HETATM   23  H2  UNL     1      -1.958   1.090   3.372  1.00  0.00           H  
HETATM   24  HA  UNL     1      -1.114  -1.029   4.071  1.00  0.00           H  
HETATM   25  H   UNL     1       0.802   0.812   2.571  1.00  0.00           H  
HETATM   26  H   UNL     1       0.813  -0.966   2.513  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.493  -0.951   1.602  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.504   0.827   1.660  1.00  0.00           H  
HETATM   29  HXT UNL     1       1.692  -1.354   6.230  1.00  0.00           H  
HETATM   30  HXT UNL     1       1.822   1.369  -6.002  1.00  0.00           H  
CONECT    1    2   17   18                                            
CONECT    2    1    3    5   19                                       
CONECT    3    2    4    4   16                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   20   21                                       
CONECT    6    5   11                                                 
CONECT    7    8   22   23                                            
CONECT    8    7    9   13   24                                       
CONECT    9    8   10   25   26                                       
CONECT   10    9   11   27   28                                       
CONECT   11    6   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13    8   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   29                                                 
CONECT   16    3   30                                                 
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
