COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.372   0.558  -0.666  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.766  -1.904   0.448  1.00  0.00           C  
HETATM    3  C   UNL     1       9.235   0.412   0.102  1.00  0.00           C  
HETATM    4  C   UNL     1       7.832   0.962   0.090  1.00  0.00           C  
HETATM    5  C   UNL     1       6.832  -0.192   0.005  1.00  0.00           C  
HETATM    6  C   UNL     1       5.408   0.367  -0.008  1.00  0.00           C  
HETATM    7  C   UNL     1       4.407  -0.787  -0.092  1.00  0.00           C  
HETATM    8  C   UNL     1       2.983  -0.228  -0.105  1.00  0.00           C  
HETATM    9  C   UNL     1       1.982  -1.382  -0.189  1.00  0.00           C  
HETATM   10  C   UNL     1       0.580  -0.831  -0.202  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.776  -1.166  -0.186  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.084   0.066  -0.748  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.354  -0.175  -0.024  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.051  -1.404   0.532  1.00  0.00           C  
HETATM   15  I   UNL     1      -6.304   0.580   0.107  1.00  0.00           I  
HETATM   16  N   UNL     1      -0.473  -1.670  -0.272  1.00  0.00           N  
HETATM   17  N   UNL     1      10.288   1.250   0.172  1.00  0.00           N  
HETATM   18  O   UNL     1       9.417  -0.786   0.049  1.00  0.00           O  
HETATM   19  O   UNL     1       0.398   0.367  -0.148  1.00  0.00           O  
HETATM   20  O   UNL     1      11.606   0.732   0.184  1.00  0.00           O  
HETATM   21  H   UNL     1      -3.611   1.518  -1.099  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.531  -2.865   0.882  1.00  0.00           H  
HETATM   23  H   UNL     1       7.657   1.530   1.003  1.00  0.00           H  
HETATM   24  H   UNL     1       7.707   1.616  -0.774  1.00  0.00           H  
HETATM   25  H   UNL     1       7.008  -0.759  -0.909  1.00  0.00           H  
HETATM   26  H   UNL     1       6.958  -0.846   0.868  1.00  0.00           H  
HETATM   27  H   UNL     1       5.232   0.935   0.906  1.00  0.00           H  
HETATM   28  H   UNL     1       5.282   1.021  -0.871  1.00  0.00           H  
HETATM   29  H   UNL     1       4.583  -1.354  -1.006  1.00  0.00           H  
HETATM   30  H   UNL     1       2.807   0.340   0.809  1.00  0.00           H  
HETATM   31  H   UNL     1       2.158  -1.949  -1.103  1.00  0.00           H  
HETATM   32  H   UNL     1       2.108  -2.036   0.674  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.318   0.638  -1.250  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.822  -1.978   1.025  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.328  -2.622  -0.383  1.00  0.00           H  
HETATM   36  H   UNL     1      10.143   2.208   0.215  1.00  0.00           H  
HETATM   37  H   UNL     1      12.294   1.410   0.237  1.00  0.00           H  
HETATM   38  H   UNL     1       4.533  -1.441   0.771  1.00  0.00           H  
HETATM   39  H   UNL     1       2.857   0.426  -0.968  1.00  0.00           H  
CONECT    1   12   13   13   21                                       
CONECT    2   11   14   14   22                                       
CONECT    3   17    4   18   18                                       
CONECT    4    5    3   23   24                                       
CONECT    5    6    4   25   26                                       
CONECT    6    7    5   27   28                                       
CONECT    7    8    6   29   38                                       
CONECT    8    9    7   30   39                                       
CONECT    9    8   10   31   32                                       
CONECT   10    9   16   19   19                                       
CONECT   11   16   12   12    2                                       
CONECT   12   11   11    1   33                                       
CONECT   13    1    1   14   15                                       
CONECT   14    2    2   13   34                                       
CONECT   15   13                                                      
CONECT   16   10   11   35                                            
CONECT   17   20    3   36                                            
CONECT   18    3    3                                                 
CONECT   19   10   10                                                 
CONECT   20   17   37                                                 
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
