COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.375  -0.045   0.922  1.00  0.00           C  
HETATM    2  C   UNL     1       1.650   0.148  -1.390  1.00  0.00           C  
HETATM    3  C   UNL     1       0.252  -0.003  -1.557  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.525  -0.174  -0.466  1.00  0.00           C  
HETATM    5  O   UNL     1       1.863  -0.068   2.036  1.00  0.00           O  
HETATM    6  O5* UNL     1      -0.799   2.429   5.185  1.00  0.00           O  
HETATM    7  C5* UNL     1      -0.107   1.179   5.195  1.00  0.00           C  
HETATM    8  C4* UNL     1      -0.763   0.225   4.194  1.00  0.00           C  
HETATM    9  O4* UNL     1      -0.641   0.736   2.850  1.00  0.00           O  
HETATM   10  C1* UNL     1      -0.796  -0.381   1.960  1.00  0.00           C  
HETATM   11  N   UNL     1       0.047  -0.196   0.776  1.00  0.00           N  
HETATM   12  N   UNL     1       2.175   0.120  -0.148  1.00  0.00           N  
HETATM   13  O   UNL     1       2.372   0.304  -2.358  1.00  0.00           O  
HETATM   14  I   UNL     1      -0.597   0.035  -3.472  1.00  0.00           I  
HETATM   15  C2* UNL     1      -0.357  -1.642   2.728  1.00  0.00           C  
HETATM   16  C3* UNL     1       0.000  -1.122   4.143  1.00  0.00           C  
HETATM   17  O3* UNL     1      -0.468  -2.020   5.151  1.00  0.00           O  
HETATM   18  H   UNL     1      -1.593  -0.292  -0.575  1.00  0.00           H  
HETATM   19  H5* UNL     1      -0.356   2.999   5.828  1.00  0.00           H  
HETATM   20 H5*1 UNL     1       0.933   1.338   4.916  1.00  0.00           H  
HETATM   21 H5*2 UNL     1      -0.154   0.745   6.194  1.00  0.00           H  
HETATM   22  H4* UNL     1      -1.810   0.063   4.450  1.00  0.00           H  
HETATM   23  H1* UNL     1      -1.840  -0.474   1.660  1.00  0.00           H  
HETATM   24  H   UNL     1       3.131   0.224  -0.025  1.00  0.00           H  
HETATM   25 H2*1 UNL     1      -1.176  -2.359   2.784  1.00  0.00           H  
HETATM   26 H2*2 UNL     1       0.514  -2.094   2.254  1.00  0.00           H  
HETATM   27  H3* UNL     1       1.074  -0.961   4.238  1.00  0.00           H  
HETATM   28  H3* UNL     1      -0.020  -2.864   5.004  1.00  0.00           H  
CONECT    1    5    5   11   12                                       
CONECT    2    3   12   13   13                                       
CONECT    3    2    4    4   14                                       
CONECT    4    3    3   11   18                                       
CONECT    5    1    1                                                 
CONECT    6    7   19                                                 
CONECT    7    6    8   20   21                                       
CONECT    8    7    9   16   22                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   15   23                                       
CONECT   11    1    4   10                                            
CONECT   12    1    2   24                                            
CONECT   13    2    2                                                 
CONECT   14    3                                                      
CONECT   15   10   16   25   26                                       
CONECT   16    8   15   17   27                                       
CONECT   17   16   28                                                 
CONECT   18    4                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23   10                                                      
CONECT   24   12                                                      
CONECT   25   15                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
