COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.461  -0.719   1.242  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.637   0.020   0.032  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.087   0.497  -0.067  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.987  -0.664  -0.068  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.391  -0.243  -0.162  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.602   0.541  -1.459  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.295  -1.477  -0.160  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.701   1.230   0.032  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.344   0.782   0.007  1.00  0.00           O  
HETATM   10  C   UNL     1       0.621   1.737   0.004  1.00  0.00           C  
HETATM   11  C   UNL     1       0.275   3.074   0.025  1.00  0.00           C  
HETATM   12  C   UNL     1       1.257   4.054   0.021  1.00  0.00           C  
HETATM   13  C   UNL     1       2.591   3.712  -0.003  1.00  0.00           C  
HETATM   14  C   UNL     1       2.968   2.372  -0.023  1.00  0.00           C  
HETATM   15  C   UNL     1       1.977   1.372  -0.014  1.00  0.00           C  
HETATM   16  N   UNL     1       4.191   1.741  -0.048  1.00  0.00           N  
HETATM   17  C   UNL     1       3.985   0.373  -0.060  1.00  0.00           C  
HETATM   18  C   UNL     1       2.647   0.125  -0.030  1.00  0.00           C  
HETATM   19  C   UNL     1       5.014  -0.622  -0.086  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.738   0.646   1.034  1.00  0.00           C  
HETATM   21  I   UNL     1       1.741  -1.764  -0.034  1.00  0.00           I  
HETATM   22  N   UNL     1       5.831  -1.411  -0.107  1.00  0.00           N  
HETATM   23  H   UNL     1      -2.650  -0.212   2.044  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.406  -0.619  -0.821  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.319   1.136   0.785  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.222   1.061  -0.991  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.897   1.841  -0.848  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.872   1.821   0.932  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.750  -1.304  -0.811  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.354  -0.093  -2.311  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.644   0.853  -1.529  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.958   1.420  -1.461  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.144  -2.036   0.764  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.337  -1.165  -0.230  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.047  -2.111  -1.011  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.094   1.525   1.032  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.780   0.958   0.964  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.588   0.087   1.958  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.767   3.358   0.043  1.00  0.00           H  
HETATM   40  H   UNL     1       0.972   5.095   0.037  1.00  0.00           H  
HETATM   41  H   UNL     1       3.346   4.484  -0.006  1.00  0.00           H  
HETATM   42  H   UNL     1       5.055   2.182  -0.056  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2    1    3    8   24                                       
CONECT    3    2    4   25   26                                       
CONECT    4    3    5   29                                            
CONECT    5    4    6    7   20                                       
CONECT    6    5   30   31   32                                       
CONECT    7    5   33   34   35                                       
CONECT    8    2    9   27   28                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   15   15                                       
CONECT   11   10   12   12   39                                       
CONECT   12   11   11   13   40                                       
CONECT   13   12   14   14   41                                       
CONECT   14   13   13   15   16                                       
CONECT   15   10   10   14   18                                       
CONECT   16   14   17   42                                            
CONECT   17   16   18   18   19                                       
CONECT   18   15   17   17   21                                       
CONECT   19   17   22   22   22                                       
CONECT   20    5   36   37   38                                       
CONECT   21   18                                                      
CONECT   22   19   19   19                                            
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
