COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.330  -0.885   0.022  1.00  0.00           C  
HETATM    2  C   UNL     1       7.881   0.179   0.028  1.00  0.00           C  
HETATM    3  C   UNL     1       5.963  -0.614   1.221  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.073  -3.954  -0.629  1.00  0.00           C  
HETATM    5  C   UNL     1       0.807   1.356  -0.004  1.00  0.00           C  
HETATM    6  C   UNL     1       0.557   0.000   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.757  -0.471  -0.003  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.819   0.421  -0.010  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.579   1.785  -0.015  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.260   2.262  -0.012  1.00  0.00           C  
HETATM   11  C   UNL     1       0.001   3.711  -0.016  1.00  0.00           C  
HETATM   12  C   UNL     1       2.913  -0.331   0.011  1.00  0.00           C  
HETATM   13  C   UNL     1       3.939  -1.465   0.019  1.00  0.00           C  
HETATM   14  C   UNL     1       5.970  -0.618  -1.173  1.00  0.00           C  
HETATM   15  C   UNL     1       7.246  -0.087  -1.171  1.00  0.00           C  
HETATM   16  C   UNL     1       7.239  -0.081   1.224  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.679  -2.719  -1.001  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.667  -3.844   0.644  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.610  -2.547   1.007  1.00  0.00           C  
HETATM   20  I   UNL     1      -3.788  -0.295  -0.016  1.00  0.00           I  
HETATM   21  N   UNL     1      -1.004  -1.849   0.001  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.618   2.659  -0.023  1.00  0.00           O  
HETATM   23  O   UNL     1       1.594  -0.881   0.008  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.927   4.496  -0.023  1.00  0.00           O  
HETATM   25  O   UNL     1       1.270   4.167  -0.013  1.00  0.00           O  
HETATM   26  H   UNL     1       8.878   0.595   0.030  1.00  0.00           H  
HETATM   27  H   UNL     1       5.461  -0.818   2.155  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.957  -4.861  -1.204  1.00  0.00           H  
HETATM   29  H   UNL     1       1.824   1.719   0.003  1.00  0.00           H  
HETATM   30  H   UNL     1       3.047   0.287   0.899  1.00  0.00           H  
HETATM   31  H   UNL     1       3.054   0.280  -0.881  1.00  0.00           H  
HETATM   32  H   UNL     1       3.805  -2.083  -0.869  1.00  0.00           H  
HETATM   33  H   UNL     1       3.798  -2.076   0.911  1.00  0.00           H  
HETATM   34  H   UNL     1       5.473  -0.826  -2.110  1.00  0.00           H  
HETATM   35  H   UNL     1       7.748   0.117  -2.105  1.00  0.00           H  
HETATM   36  H   UNL     1       7.735   0.126   2.160  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.191  -2.462  -1.929  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.091  -4.651   1.223  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.982  -2.131   1.931  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.923   2.915   0.858  1.00  0.00           H  
HETATM   41  H   UNL     1       1.391   5.126  -0.016  1.00  0.00           H  
CONECT    1    3    3   14   13                                       
CONECT    2   16   16   15   26                                       
CONECT    3   16    1    1   27                                       
CONECT    4   17   17   18   28                                       
CONECT    5    6    6   10   29                                       
CONECT    6   23    5    5    7                                       
CONECT    7    6   21    8    8                                       
CONECT    8    7    7    9   20                                       
CONECT    9   10   10    8   22                                       
CONECT   10    5   11    9    9                                       
CONECT   11   24   24   10   25                                       
CONECT   12   13   23   30   31                                       
CONECT   13    1   12   32   33                                       
CONECT   14   15   15    1   34                                       
CONECT   15    2   14   14   35                                       
CONECT   16    2    2    3   36                                       
CONECT   17   21    4    4   37                                       
CONECT   18   19   19    4   38                                       
CONECT   19   21   18   18   39                                       
CONECT   20    8                                                      
CONECT   21    7   19   17                                            
CONECT   22    9   40                                                 
CONECT   23   12    6                                                 
CONECT   24   11   11                                                 
CONECT   25   11   41                                                 
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   22                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
