COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.110  -0.226   3.639  1.00  0.00           C  
HETATM    2  C   UNL     1       1.137  -0.104   3.057  1.00  0.00           C  
HETATM    3  C   UNL     1       1.281   0.573   1.861  1.00  0.00           C  
HETATM    4  C   UNL     1       0.170   1.132   1.245  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.081   1.008   1.831  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.219   0.324   3.024  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.263  -0.966   4.943  1.00  0.00           C  
HETATM    8  CA  UNL     1      -0.098   0.011   6.107  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.250  -0.728   7.411  1.00  0.00           C  
HETATM   10  C   UNL     1       0.151   0.883  -0.922  1.00  0.00           C  
HETATM   11  C   UNL     1       0.241   1.276  -2.250  1.00  0.00           C  
HETATM   12  C   UNL     1       0.082   0.345  -3.258  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.166  -0.982  -2.943  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.255  -1.375  -1.616  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.091  -0.445  -0.607  1.00  0.00           C  
HETATM   16  N   UNL     1       1.235   0.625   6.046  1.00  0.00           N  
HETATM   17  O   UNL     1       0.307   1.799   0.069  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.322  -1.899  -3.936  1.00  0.00           O  
HETATM   19  O   UNL     1       0.716  -1.214   7.947  1.00  0.00           O  
HETATM   20  OXT UNL     1      -1.462  -0.847   7.977  1.00  0.00           O  
HETATM   21  I   UNL     1       3.172   0.757   0.980  1.00  0.00           I  
HETATM   22  I   UNL     1       0.217   0.939  -5.263  1.00  0.00           I  
HETATM   23  I   UNL     1      -2.761   1.849   0.905  1.00  0.00           I  
HETATM   24  I   UNL     1      -0.630  -3.381  -1.140  1.00  0.00           I  
HETATM   25  H   UNL     1       2.001  -0.539   3.537  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.193   0.227   3.481  1.00  0.00           H  
HETATM   27  H   UNL     1       0.497  -1.744   5.011  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.252  -1.422   4.988  1.00  0.00           H  
HETATM   29  HA  UNL     1      -0.859   0.789   6.039  1.00  0.00           H  
HETATM   30  H   UNL     1       0.434   2.310  -2.495  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.160  -0.751   0.425  1.00  0.00           H  
HETATM   32  H1  UNL     1       1.904  -0.127   6.112  1.00  0.00           H  
HETATM   33  H2  UNL     1       1.331   1.018   5.122  1.00  0.00           H  
HETATM   34  H   UNL     1       0.556  -2.255  -4.128  1.00  0.00           H  
HETATM   35  HXT UNL     1      -1.560  -1.322   8.814  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   25                                       
CONECT    3    2    4    4   21                                       
CONECT    4    3    3    5   17                                       
CONECT    5    4    6    6   23                                       
CONECT    6    1    5    5   26                                       
CONECT    7    1    8   27   28                                       
CONECT    8    7    9   16   29                                       
CONECT    9    8   19   19   20                                       
CONECT   10   11   11   15   17                                       
CONECT   11   10   10   12   30                                       
CONECT   12   11   13   13   22                                       
CONECT   13   12   12   14   18                                       
CONECT   14   13   15   15   24                                       
CONECT   15   10   14   14   31                                       
CONECT   16    8   32   33                                            
CONECT   17    4   10                                                 
CONECT   18   13   34                                                 
CONECT   19    9    9                                                 
CONECT   20    9   35                                                 
CONECT   21    3                                                      
CONECT   22   12                                                      
CONECT   23    5                                                      
CONECT   24   14                                                      
CONECT   25    2                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   20                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
