COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -3.636  -1.823  -0.006  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.296  -0.520   0.001  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.160   0.333   0.005  1.00  0.00           O  
HETATM    4  CA  UNL     1      -1.867  -0.127   0.004  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.941  -1.068  -0.001  1.00  0.00           N  
HETATM    6  C   UNL     1       0.359  -0.768   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       1.335  -1.783  -0.005  1.00  0.00           C  
HETATM    8  C   UNL     1       2.654  -1.451  -0.003  1.00  0.00           C  
HETATM    9  C   UNL     1       3.693  -2.542  -0.009  1.00  0.00           C  
HETATM   10  C   UNL     1       3.060  -0.118   0.003  1.00  0.00           C  
HETATM   11  C   UNL     1       2.145   0.891   0.009  1.00  0.00           C  
HETATM   12  C   UNL     1       2.602   2.327   0.017  1.00  0.00           C  
HETATM   13  C   UNL     1       0.776   0.587   0.008  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.202   1.607   0.013  1.00  0.00           C  
HETATM   15  O   UNL     1       0.154   2.916   0.021  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.532   1.232   0.005  1.00  0.00           C  
HETATM   17  HXT UNL     1      -4.581  -2.030  -0.007  1.00  0.00           H  
HETATM   18  H   UNL     1       1.037  -2.821  -0.010  1.00  0.00           H  
HETATM   19  H   UNL     1       3.944  -2.800  -1.038  1.00  0.00           H  
HETATM   20  H   UNL     1       4.588  -2.195   0.506  1.00  0.00           H  
HETATM   21  H   UNL     1       3.299  -3.422   0.500  1.00  0.00           H  
HETATM   22  H   UNL     1       4.114   0.118   0.004  1.00  0.00           H  
HETATM   23  H   UNL     1       2.588   2.707   1.039  1.00  0.00           H  
HETATM   24  H   UNL     1       3.615   2.389  -0.379  1.00  0.00           H  
HETATM   25  H   UNL     1       1.933   2.925  -0.602  1.00  0.00           H  
HETATM   26  H   UNL     1       0.258   3.300  -0.861  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.309   1.982   0.009  1.00  0.00           H  
CONECT    1    2   17                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4   16    5    5    2                                       
CONECT    5    6    4    4                                            
CONECT    6   13    7    7    5                                       
CONECT    7    6    6    8   18                                       
CONECT    8   10   10    7    9                                       
CONECT    9    8   19   20   21                                       
CONECT   10   11    8    8   22                                       
CONECT   11   12   13   13   10                                       
CONECT   12   11   23   24   25                                       
CONECT   13   11   11   14    6                                       
CONECT   14   15   13   16   16                                       
CONECT   15   14   26                                                 
CONECT   16   14   14    4   27                                       
CONECT   17    1                                                      
CONECT   18    7                                                      
CONECT   19    9                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   12                                                      
CONECT   24   12                                                      
CONECT   25   12                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
