COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -4.483  -0.313   1.342  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.262  -0.641   0.872  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.847  -1.778   0.996  1.00  0.00           O  
HETATM    4  CA  UNL     1      -2.436   0.370   0.213  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.834   1.636   0.046  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.024   2.436  -0.547  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.548   1.586  -0.990  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.180   0.101  -0.283  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.532  -1.117  -0.238  1.00  0.00           N  
HETATM   10  S   UNL     1       0.984  -1.273  -0.884  1.00  0.00           S  
HETATM   11  O   UNL     1       1.384  -2.617  -0.651  1.00  0.00           O  
HETATM   12  O   UNL     1       0.930  -0.692  -2.180  1.00  0.00           O  
HETATM   13  C   UNL     1       2.065  -0.260   0.070  1.00  0.00           C  
HETATM   14  C   UNL     1       2.274   1.066  -0.278  1.00  0.00           C  
HETATM   15  C   UNL     1       3.128   1.827   0.506  1.00  0.00           C  
HETATM   16  C   UNL     1       3.739   1.243   1.599  1.00  0.00           C  
HETATM   17  N   UNL     1       3.516  -0.022   1.901  1.00  0.00           N  
HETATM   18  C   UNL     1       2.711  -0.775   1.179  1.00  0.00           C  
HETATM   19  HXT UNL     1      -4.953  -1.046   1.761  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.220   3.479  -0.746  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.965  -1.882   0.173  1.00  0.00           H  
HETATM   22  H   UNL     1       1.783   1.495  -1.138  1.00  0.00           H  
HETATM   23  H   UNL     1       3.314   2.863   0.264  1.00  0.00           H  
HETATM   24  H   UNL     1       4.405   1.829   2.214  1.00  0.00           H  
HETATM   25  H   UNL     1       2.550  -1.806   1.459  1.00  0.00           H  
CONECT    1    2   19                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    8    8    2    5                                       
CONECT    5    4    6    6                                            
CONECT    6    7    5    5   20                                       
CONECT    7    8    6                                                 
CONECT    8    9    4    4    7                                       
CONECT    9   10    8   21                                            
CONECT   10   13   11   11    9                                       
CONECT   10   12   12                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   14   14   18   10                                       
CONECT   14   15   13   13   22                                       
CONECT   15   16   16   14   23                                       
CONECT   16   15   15   17   24                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   13   25                                       
CONECT   19    1                                                      
CONECT   20    6                                                      
CONECT   21    9                                                      
CONECT   22   14                                                      
CONECT   23   15                                                      
CONECT   24   16                                                      
CONECT   25   18                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
