COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.909   2.714  -0.823  1.00  0.00           O  
HETATM    2  C   UNL     1       4.453   1.658  -0.568  1.00  0.00           C  
HETATM    3  OXT UNL     1       5.798   1.574  -0.568  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.641   0.469  -0.251  1.00  0.00           C  
HETATM    5  N   UNL     1       2.272   0.561  -0.246  1.00  0.00           N  
HETATM    6  C   UNL     1       4.258  -0.719   0.030  1.00  0.00           C  
HETATM    7  O   UNL     1       5.610  -0.813   0.020  1.00  0.00           O  
HETATM    8  C   UNL     1       3.427  -1.891   0.342  1.00  0.00           C  
HETATM    9  O   UNL     1       3.940  -2.970   0.599  1.00  0.00           O  
HETATM   10  C   UNL     1       2.029  -1.739   0.339  1.00  0.00           C  
HETATM   11  C   UNL     1       1.483  -0.509   0.040  1.00  0.00           C  
HETATM   12  C   UNL     1       0.015  -0.348   0.036  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.585   0.617   0.849  1.00  0.00           C  
HETATM   14  C   UNL     1       0.267   1.494   1.730  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.953   0.766   0.845  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.775  -1.158  -0.784  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.143  -1.007  -0.787  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.742  -0.047   0.030  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.214   0.114   0.026  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.900   0.966   0.727  1.00  0.00           N  
HETATM   21  O   UNL     1      -6.087   0.864   0.513  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.330  -0.103  -0.386  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.416  -0.449  -0.810  1.00  0.00           O  
HETATM   24  N   UNL     1      -5.122  -0.612  -0.731  1.00  0.00           N  
HETATM   25  HXT UNL     1       6.288   2.381  -0.778  1.00  0.00           H  
HETATM   26  H   UNL     1       5.944  -1.696   0.232  1.00  0.00           H  
HETATM   27  H   UNL     1       1.388  -2.579   0.564  1.00  0.00           H  
HETATM   28  H   UNL     1       0.483   2.429   1.212  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.268   1.707   2.656  1.00  0.00           H  
HETATM   30  H   UNL     1       1.201   0.982   1.960  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.417   1.512   1.474  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.312  -1.901  -1.416  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.754  -1.633  -1.422  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.936  -1.324  -1.362  1.00  0.00           H  
HETATM   35  H   UNL     1       1.856   1.412  -0.453  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   25                                                 
CONECT    4    6    6    2    5                                       
CONECT    5    4   11   35                                            
CONECT    6    7    8    4    4                                       
CONECT    7    6   26                                                 
CONECT    8    9    9    6   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   27                                       
CONECT   11   10   10    5   12                                       
CONECT   12   11   13   13   16                                       
CONECT   13   14   12   12   15                                       
CONECT   14   13   28   29   30                                       
CONECT   15   13   18   18   31                                       
CONECT   16   12   17   17   32                                       
CONECT   17   16   16   18   33                                       
CONECT   18   15   15   17   19                                       
CONECT   19   18   24   20   20                                       
CONECT   20   19   19   21                                            
CONECT   21   22   20                                                 
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   19   22   34                                            
CONECT   25    3                                                      
CONECT   26    7                                                      
CONECT   27   10                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   24                                                      
CONECT   35    5                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
