COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.521  -2.286   0.165  1.00  0.00           C  
HETATM    2  N   UNL     1       1.343  -3.364   0.161  1.00  0.00           N  
HETATM    3  CA  UNL     1       2.106  -2.218  -0.351  1.00  0.00           C  
HETATM    4  C   UNL     1       1.453  -0.918   0.123  1.00  0.00           C  
HETATM    5  C   UNL     1       0.083  -0.791  -0.492  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.330  -1.656  -1.236  1.00  0.00           O  
HETATM    7  N   UNL     1      -0.683   0.282  -0.216  1.00  0.00           N  
HETATM    8  O   UNL     1       3.777  -2.951   1.140  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.015   0.405  -0.814  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.184   1.326   0.683  1.00  0.00           C  
HETATM   11  C   UNL     1       0.560   2.387  -0.131  1.00  0.00           C  
HETATM   12  C   UNL     1       1.081   3.477   0.808  1.00  0.00           C  
HETATM   13  S   UNL     1       1.963   4.735  -0.157  1.00  0.00           S  
HETATM   14  C   UNL     1      -3.049  -0.249   0.105  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.440  -0.120  -0.520  1.00  0.00           C  
HETATM   16  S   UNL     1      -5.666  -0.896   0.569  1.00  0.00           S  
HETATM   17  H1  UNL     1       1.717  -4.233  -0.191  1.00  0.00           H  
HETATM   18  H2  UNL     1       1.321  -3.362   1.170  1.00  0.00           H  
HETATM   19  HA  UNL     1       2.115  -2.244  -1.440  1.00  0.00           H  
HETATM   20  H   UNL     1       1.364  -0.931   1.209  1.00  0.00           H  
HETATM   21  H   UNL     1       2.068  -0.071  -0.181  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.259   1.460  -0.943  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.025  -0.091  -1.784  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.023   1.789   1.203  1.00  0.00           H  
HETATM   25  H   UNL     1       0.495   0.884   1.411  1.00  0.00           H  
HETATM   26  H   UNL     1       1.398   1.924  -0.651  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.120   2.829  -0.859  1.00  0.00           H  
HETATM   28  H   UNL     1       0.242   3.940   1.327  1.00  0.00           H  
HETATM   29  H   UNL     1       1.761   3.035   1.536  1.00  0.00           H  
HETATM   30  H   UNL     1       2.358   5.614   0.781  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.805  -1.303   0.234  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.039   0.248   1.075  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.684   0.934  -0.649  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.450  -0.617  -1.490  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.820  -0.711  -0.094  1.00  0.00           H  
HETATM   36  OXT UNL     1       4.497  -1.612  -0.463  1.00  0.00           O  
HETATM   37  HXT UNL     1       5.389  -1.686  -0.095  1.00  0.00           H  
CONECT    1    3    8    8   36                                       
CONECT    2    3   17   18                                            
CONECT    3    1    2    4   19                                       
CONECT    4    3    5   20   21                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    9   10                                            
CONECT    8    1    1                                                 
CONECT    9    7   14   22   23                                       
CONECT   10    7   11   24   25                                       
CONECT   11   10   12   26   27                                       
CONECT   12   11   13   28   29                                       
CONECT   13   12   30                                                 
CONECT   14    9   15   31   32                                       
CONECT   15   16   14   33   34                                       
CONECT   16   15   35                                                 
CONECT   17    2                                                      
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    4                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36    1   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
