COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.427   1.980   0.357  1.00  0.00           N  
HETATM    2  CA  UNL     1       1.480   0.548   0.679  1.00  0.00           C  
HETATM    3  C   UNL     1       0.249  -0.151   0.100  1.00  0.00           C  
HETATM    4  C   UNL     1       0.226   0.030  -1.419  1.00  0.00           C  
HETATM    5  C   UNL     1       0.305  -1.643   0.435  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.016   0.460   0.705  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.477  -0.369   0.019  1.00  0.00           S  
HETATM    8  O   UNL     1      -2.543  -0.130  -1.380  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.852   0.480   0.843  1.00  0.00           C  
HETATM   10  C   UNL     1       2.727  -0.054   0.083  1.00  0.00           C  
HETATM   11  O   UNL     1       3.296   0.508  -0.822  1.00  0.00           O  
HETATM   12  OXT UNL     1       3.204  -1.215   0.558  1.00  0.00           O  
HETATM   13  H1  UNL     1       1.411   2.126  -0.641  1.00  0.00           H  
HETATM   14  H2  UNL     1       0.634   2.421   0.800  1.00  0.00           H  
HETATM   15  HA  UNL     1       1.496   0.419   1.761  1.00  0.00           H  
HETATM   16  H   UNL     1       1.128  -0.406  -1.850  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.651  -0.468  -1.831  1.00  0.00           H  
HETATM   18  H   UNL     1       0.186   1.093  -1.658  1.00  0.00           H  
HETATM   19  H   UNL     1       0.321  -1.772   1.518  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.573  -2.141   0.023  1.00  0.00           H  
HETATM   21  H   UNL     1       1.206  -2.079   0.004  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.000   0.331   1.788  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.056   1.523   0.467  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.821   1.542   0.600  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.797   0.057   0.501  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.765   0.350   1.921  1.00  0.00           H  
HETATM   27  HXT UNL     1       4.006  -1.562   0.144  1.00  0.00           H  
CONECT    1    2   13   14                                            
CONECT    2    1    3   10   15                                       
CONECT    3    2    4    5    6                                       
CONECT    4    3   16   17   18                                       
CONECT    5    3   19   20   21                                       
CONECT    6    3    7   22   23                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   24   25   26                                       
CONECT   10    2   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   27                                                 
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   12                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
