COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.206   1.704   2.390  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.841   1.802   3.272  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.779   2.665   2.778  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.345   3.111   1.605  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.166   2.529   1.392  1.00  0.00           N  
HETATM    6  C   UNL     1       0.581   2.821   0.169  1.00  0.00           C  
HETATM    7  C   UNL     1       0.305   1.901  -1.058  1.00  0.00           C  
HETATM    8  S   UNL     1       1.346   2.411  -2.451  1.00  0.00           S  
HETATM    9  O   UNL     1       0.906   3.724  -2.834  1.00  0.00           O  
HETATM   10  O   UNL     1       2.702   2.108  -2.084  1.00  0.00           O  
HETATM   11  C   UNL     1       0.660   0.432  -0.760  1.00  0.00           C  
HETATM   12  CA  UNL     1      -1.182   2.004  -1.524  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.487   1.207  -2.784  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.351   1.627  -3.927  1.00  0.00           O  
HETATM   15  OXT UNL     1      -1.932  -0.047  -2.514  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.554   3.382  -1.793  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.768   3.723  -2.199  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.213   4.953  -2.474  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.609   5.129  -2.917  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.071   6.232  -3.182  1.00  0.00           O  
HETATM   21  H   UNL     1       1.130   1.144   2.399  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.965   1.304   4.222  1.00  0.00           H  
HETATM   23  H   UNL     1       1.642   2.781   0.446  1.00  0.00           H  
HETATM   24  H   UNL     1       0.369   3.869  -0.078  1.00  0.00           H  
HETATM   25  H   UNL     1       1.691   0.328  -0.406  1.00  0.00           H  
HETATM   26  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   27  H   UNL     1       0.545  -0.189  -1.657  1.00  0.00           H  
HETATM   28  HA  UNL     1      -1.852   1.653  -0.730  1.00  0.00           H  
HETATM   29  HXT UNL     1      -2.140  -0.600  -3.297  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.862   4.115  -1.666  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.410   2.854  -2.295  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.587   5.832  -2.384  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.216   4.212  -2.997  1.00  0.00           H  
HETATM   34  H   UNL     1       1.011   1.580  -3.440  1.00  0.00           H  
CONECT    1    2    2    5   21                                       
CONECT    2    1    1    3   22                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5                                            
CONECT    5    1    4    6                                            
CONECT    6    5    7   23   24                                       
CONECT    7    6    8   11   12                                       
CONECT    8    7    9    9   10                                       
CONECT    8   10   34                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    7   25   26   27                                       
CONECT   12    7   13   16   28                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   29                                                 
CONECT   16   12   17   30                                            
CONECT   17   16   18   18   31                                       
CONECT   18   17   17   19   32                                       
CONECT   19   18   20   20   33                                       
CONECT   20   19   19                                                 
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   17                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34    8                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
