COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.800  -2.037  -0.249  1.00  0.00           O  
HETATM    2  C   UNL     1       3.011  -2.090  -0.184  1.00  0.00           C  
HETATM    3  OXT UNL     1       3.631  -3.285  -0.144  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.807  -0.841  -0.156  1.00  0.00           C  
HETATM    5  N   UNL     1       5.171  -0.889   0.041  1.00  0.00           N  
HETATM    6  C   UNL     1       5.910   0.232   0.069  1.00  0.00           C  
HETATM    7  O   UNL     1       7.110   0.146   0.245  1.00  0.00           O  
HETATM    8  N   UNL     1       5.358   1.448  -0.093  1.00  0.00           N  
HETATM    9  C   UNL     1       4.030   1.574  -0.290  1.00  0.00           C  
HETATM   10  O   UNL     1       3.528   2.673  -0.437  1.00  0.00           O  
HETATM   11  C   UNL     1       3.201   0.363  -0.330  1.00  0.00           C  
HETATM   12  C   UNL     1       1.714   0.452  -0.554  1.00  0.00           C  
HETATM   13  C   UNL     1       1.005   0.619   0.792  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.483   0.709   0.568  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.231  -0.429   0.569  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.618  -0.351   0.362  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.417  -1.509   0.358  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.756  -1.410   0.156  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.363  -0.158  -0.052  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.821  -0.078  -0.270  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.565  -1.202  -0.269  1.00  0.00           O  
HETATM   22  O   UNL     1      -7.350   1.000  -0.450  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.603   1.000  -0.054  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.218   0.917   0.154  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.413   2.070   0.160  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.073   1.955   0.369  1.00  0.00           C  
HETATM   27  HXT UNL     1       3.070  -4.072  -0.169  1.00  0.00           H  
HETATM   28  H   UNL     1       5.919   2.239  -0.067  1.00  0.00           H  
HETATM   29  H   UNL     1       1.493   1.310  -1.189  1.00  0.00           H  
HETATM   30  H   UNL     1       1.363  -0.459  -1.038  1.00  0.00           H  
HETATM   31  H   UNL     1       1.225  -0.238   1.428  1.00  0.00           H  
HETATM   32  H   UNL     1       1.355   1.531   1.276  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.759  -1.388   0.729  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.965  -2.477   0.516  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.362  -2.304   0.154  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.515  -1.099  -0.416  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.073   1.960  -0.213  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.856   3.043   0.003  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.457   2.842   0.373  1.00  0.00           H  
HETATM   40  H   UNL     1       5.604  -1.748   0.162  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   27                                                 
CONECT    4    5    2   11   11                                       
CONECT    5    6    4   40                                            
CONECT    6    7    7    5    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   28                                            
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    4    4    9   12                                       
CONECT   12   11   13   29   30                                       
CONECT   13   12   14   31   32                                       
CONECT   14   26   13   15   15                                       
CONECT   15   14   14   16   33                                       
CONECT   16   24   15   17   17                                       
CONECT   17   16   16   18   34                                       
CONECT   18   19   19   17   35                                       
CONECT   19   23   20   18   18                                       
CONECT   20   22   22   19   21                                       
CONECT   21   20   36                                                 
CONECT   22   20   20                                                 
CONECT   23   24   24   19   37                                       
CONECT   24   25   23   23   16                                       
CONECT   25   26   26   24   38                                       
CONECT   26   25   25   14   39                                       
CONECT   27    3                                                      
CONECT   28    8                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   21                                                      
CONECT   37   23                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
CONECT   40    5                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
