COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.600   0.895   0.136  1.00  0.00           C  
HETATM    2  C   UNL     1       7.523  -0.093  -0.317  1.00  0.00           C  
HETATM    3  N   UNL     1       6.210   0.553  -0.251  1.00  0.00           N  
HETATM    4  C   UNL     1       5.104  -0.132  -0.606  1.00  0.00           C  
HETATM    5  O   UNL     1       5.197  -1.282  -0.980  1.00  0.00           O  
HETATM    6  C   UNL     1       3.753   0.532  -0.539  1.00  0.00           C  
HETATM    7  O   UNL     1       2.720  -0.369  -0.993  1.00  0.00           O  
HETATM    8  C   UNL     1       3.361   0.824   0.932  1.00  0.00           C  
HETATM    9  O   UNL     1       3.887   2.080   1.367  1.00  0.00           O  
HETATM   10  C   UNL     1       1.814   0.870   0.851  1.00  0.00           C  
HETATM   11  O   UNL     1       1.359   2.222   0.764  1.00  0.00           O  
HETATM   12  C   UNL     1       1.479   0.103  -0.443  1.00  0.00           C  
HETATM   13  N   UNL     1       0.604  -1.032  -0.140  1.00  0.00           N  
HETATM   14  C   UNL     1       1.001  -2.315   0.096  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.037  -3.065   0.331  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.162  -2.313   0.261  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.763  -0.999  -0.036  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.691  -0.056  -0.167  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.967  -0.344  -0.009  1.00  0.00           C  
HETATM   20  I   UNL     1      -4.379   1.189  -0.219  1.00  0.00           I  
HETATM   21  N   UNL     1      -3.388  -1.563   0.276  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.534  -2.571   0.419  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.985  -3.844   0.719  1.00  0.00           N  
HETATM   24  H   UNL     1       8.399   1.207   1.161  1.00  0.00           H  
HETATM   25  H   UNL     1       9.577   0.415   0.087  1.00  0.00           H  
HETATM   26  H   UNL     1       8.591   1.768  -0.517  1.00  0.00           H  
HETATM   27  H   UNL     1       7.724  -0.404  -1.342  1.00  0.00           H  
HETATM   28  H   UNL     1       7.532  -0.965   0.336  1.00  0.00           H  
HETATM   29  H   UNL     1       6.136   1.472   0.048  1.00  0.00           H  
HETATM   30  H   UNL     1       3.747   1.450  -1.127  1.00  0.00           H  
HETATM   31  H   UNL     1       3.693   0.019   1.588  1.00  0.00           H  
HETATM   32  H   UNL     1       4.849   1.986   1.396  1.00  0.00           H  
HETATM   33  H   UNL     1       1.371   0.374   1.715  1.00  0.00           H  
HETATM   34  H   UNL     1       1.595   2.651   1.598  1.00  0.00           H  
HETATM   35  H   UNL     1       0.989   0.770  -1.152  1.00  0.00           H  
HETATM   36  H   UNL     1       2.025  -2.659   0.089  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.351  -4.572   0.821  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.935  -4.010   0.826  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    1    3   27   28                                       
CONECT    3    2    4   29                                            
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7    8   30                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   31                                       
CONECT    9    8   32                                                 
CONECT   10    8   11   12   33                                       
CONECT   11   10   34                                                 
CONECT   12    7   10   13   35                                       
CONECT   13   12   14   17                                            
CONECT   14   13   15   15   36                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   22   22                                       
CONECT   17   13   16   18   18                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   21   21                                       
CONECT   20   19                                                      
CONECT   21   19   19   22                                            
CONECT   22   16   16   21   23                                       
CONECT   23   22   37   38                                            
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
