COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.940  -1.060   2.353  1.00  0.00           C  
HETATM    2  C   UNL     1       3.295  -1.737   3.508  1.00  0.00           C  
HETATM    3  C   UNL     1       4.640  -1.815   3.869  1.00  0.00           C  
HETATM    4  C   UNL     1       5.613  -1.214   3.070  1.00  0.00           C  
HETATM    5  C   UNL     1       5.240  -0.536   1.910  1.00  0.00           C  
HETATM    6  C   UNL     1       3.895  -0.458   1.549  1.00  0.00           C  
HETATM    7  C   UNL     1       1.484  -0.975   1.962  1.00  0.00           C  
HETATM    8  CA  UNL     1       1.036  -2.136   1.066  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.446  -2.006   0.749  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.317  -2.019   1.612  1.00  0.00           O  
HETATM   11  OXT UNL     1      -0.736  -1.866  -0.567  1.00  0.00           O  
HETATM   12  N   UNL     1       1.823  -2.195  -0.140  1.00  0.00           N  
HETATM   13  C   UNL     1       2.569  -3.302  -0.507  1.00  0.00           C  
HETATM   14  C   UNL     1       3.304  -3.143  -1.796  1.00  0.00           C  
HETATM   15  O   UNL     1       2.665  -4.352   0.118  1.00  0.00           O  
HETATM   16  O   UNL     1       6.925  -1.289   3.423  1.00  0.00           O  
HETATM   17  C   UNL     1       7.841  -1.600   2.433  1.00  0.00           C  
HETATM   18  C   UNL     1       7.560  -2.630   1.554  1.00  0.00           C  
HETATM   19  C   UNL     1       8.483  -2.944   0.556  1.00  0.00           C  
HETATM   20  N   UNL     1       8.195  -4.004  -0.347  1.00  0.00           N1+
HETATM   21  O   UNL     1       9.028  -4.281  -1.241  1.00  0.00           O  
HETATM   22  O   UNL     1       7.115  -4.629  -0.222  1.00  0.00           O1-
HETATM   23  C   UNL     1       9.673  -2.222   0.455  1.00  0.00           C  
HETATM   24  O   UNL     1      10.577  -2.528  -0.521  1.00  0.00           O  
HETATM   25  C   UNL     1       9.939  -1.187   1.352  1.00  0.00           C  
HETATM   26  N   UNL     1      11.145  -0.438   1.265  1.00  0.00           N1+
HETATM   27  O   UNL     1      11.972  -0.724   0.367  1.00  0.00           O  
HETATM   28  O   UNL     1      11.345   0.485   2.089  1.00  0.00           O1-
HETATM   29  C   UNL     1       9.015  -0.873   2.349  1.00  0.00           C  
HETATM   30  H   UNL     1       2.544  -2.208   4.137  1.00  0.00           H  
HETATM   31  H   UNL     1       4.924  -2.345   4.774  1.00  0.00           H  
HETATM   32  H   UNL     1       5.993  -0.065   1.283  1.00  0.00           H  
HETATM   33  H   UNL     1       3.614   0.073   0.643  1.00  0.00           H  
HETATM   34  H   UNL     1       1.324  -0.015   1.454  1.00  0.00           H  
HETATM   35  H   UNL     1       0.860  -0.931   2.865  1.00  0.00           H  
HETATM   36  HA  UNL     1       1.171  -3.102   1.567  1.00  0.00           H  
HETATM   37  HXT UNL     1      -1.691  -1.776  -0.771  1.00  0.00           H  
HETATM   38  H   UNL     1       1.830  -1.383  -0.753  1.00  0.00           H  
HETATM   39  H   UNL     1       4.394  -3.258  -1.676  1.00  0.00           H  
HETATM   40  H   UNL     1       3.012  -3.899  -2.543  1.00  0.00           H  
HETATM   41  H   UNL     1       3.169  -2.172  -2.299  1.00  0.00           H  
HETATM   42  H   UNL     1       6.630  -3.188   1.641  1.00  0.00           H  
HETATM   43  H   UNL     1      10.120  -2.896  -1.292  1.00  0.00           H  
HETATM   44  H   UNL     1       9.215  -0.067   3.051  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   16                                       
CONECT    5    4    6    6   32                                       
CONECT    6    1    5    5   33                                       
CONECT    7    1    8   34   35                                       
CONECT    8    7    9   12   36                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   37                                                 
CONECT   12    8   13   38                                            
CONECT   13   12   14   15   15                                       
CONECT   14   13   39   40   41                                       
CONECT   15   13   13                                                 
CONECT   16    4   17                                                 
CONECT   17   16   18   18   29                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18   20   23   23                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20                                                      
CONECT   23   19   19   24   25                                       
CONECT   24   23   43                                                 
CONECT   25   23   26   29   29                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26                                                      
CONECT   29   17   25   25   44                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   24                                                      
CONECT   44   29                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
