COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.005   2.290   1.508  1.00  0.00           N  
HETATM    2  C   UNL     1       3.228   1.406   0.780  1.00  0.00           C  
HETATM    3  N   UNL     1       3.094   0.145   1.038  1.00  0.00           N  
HETATM    4  CA  UNL     1       2.299  -0.558   0.225  1.00  0.00           C  
HETATM    5  C   UNL     1       2.059  -1.997   0.405  1.00  0.00           C  
HETATM    6  OXT UNL     1       2.651  -2.658   1.421  1.00  0.00           O  
HETATM    7  O   UNL     1       1.327  -2.592  -0.362  1.00  0.00           O  
HETATM    8  C   UNL     1       1.733   0.153  -0.775  1.00  0.00           C  
HETATM    9  C   UNL     1       0.800  -0.390  -1.827  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.623  -0.281  -1.341  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.190  -1.318  -0.624  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.494  -1.218  -0.179  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.232  -0.080  -0.449  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.654   0.029   0.036  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.671   0.660   1.429  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.115   0.771   1.922  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.664   0.957  -1.165  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.358   0.859  -1.607  1.00  0.00           C  
HETATM   19  S   UNL     1       2.266   1.826  -0.633  1.00  0.00           S  
HETATM   20  H   UNL     1       4.049   3.224   1.249  1.00  0.00           H  
HETATM   21  H   UNL     1       4.504   1.977   2.279  1.00  0.00           H  
HETATM   22  HXT UNL     1       2.462  -3.603   1.498  1.00  0.00           H  
HETATM   23  H   UNL     1       0.915   0.184  -2.746  1.00  0.00           H  
HETATM   24  H   UNL     1       1.039  -1.436  -2.019  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.614  -2.207  -0.413  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.938  -2.028   0.381  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.226   0.652  -0.652  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.100  -0.965   0.082  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.099   0.037   2.117  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.225   1.654   1.384  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.561  -0.223   1.968  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.127   1.220   2.915  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.687   1.394   1.234  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.240   1.846  -1.376  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.913   1.671  -2.163  1.00  0.00           H  
CONECT    1    2   20   21                                            
CONECT    2    1    3    3   19                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    8    8                                       
CONECT    5    7    7    4    6                                       
CONECT    6    5   22                                                 
CONECT    7    5    5                                                 
CONECT    8    4    4   19    9                                       
CONECT    9    8   10   23   24                                       
CONECT   10    9   18   18   11                                       
CONECT   11   10   12   12   25                                       
CONECT   12   11   11   13   26                                       
CONECT   13   17   17   12   14                                       
CONECT   14   13   15   27   28                                       
CONECT   15   14   16   29   30                                       
CONECT   16   15   31   32   33                                       
CONECT   17   18   13   13   34                                       
CONECT   18   10   10   17   35                                       
CONECT   19    2    8                                                 
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    6                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
