COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.582   3.214   0.420  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.394   1.958  -0.032  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.139   1.537  -0.207  1.00  0.00           C  
HETATM    4  C   UNL     1       0.932   2.438   0.067  1.00  0.00           C  
HETATM    5  O   UNL     1       0.710   3.612   0.303  1.00  0.00           O  
HETATM    6  C   UNL     1       2.316   1.922   0.061  1.00  0.00           C  
HETATM    7  C   UNL     1       3.403   2.804   0.081  1.00  0.00           C  
HETATM    8  O   UNL     1       3.193   4.144   0.116  1.00  0.00           O  
HETATM    9  C   UNL     1       4.695   2.300   0.066  1.00  0.00           C  
HETATM   10  C   UNL     1       4.905   0.935   0.040  1.00  0.00           C  
HETATM   11  C   UNL     1       3.830   0.060   0.039  1.00  0.00           C  
HETATM   12  C   UNL     1       2.539   0.544   0.060  1.00  0.00           C  
HETATM   13  C   UNL     1       1.375  -0.411   0.101  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.006  -0.771  -0.559  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.612   1.115  -0.302  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.103   0.576   1.029  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.817   1.138   2.066  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.630   1.895  -0.932  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.215  -0.074  -1.177  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.374  -1.029  -1.388  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.360  -0.393  -2.272  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.801  -0.173  -3.613  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.594  -1.186  -2.341  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.044  -1.402  -0.101  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.783  -2.520  -0.056  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.926  -0.632   1.037  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.631  -1.029   2.267  1.00  0.00           C  
HETATM   28  C   UNL     1       0.203   0.155  -0.699  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.661  -0.466   2.586  1.00  0.00           O  
HETATM   30  I   UNL     1       4.169  -2.007   0.006  1.00  0.00           I  
HETATM   31  N   UNL     1      -4.135  -2.016   3.039  1.00  0.00           N  
HETATM   32  H   UNL     1      -2.029   3.832  -0.175  1.00  0.00           H  
HETATM   33  H   UNL     1       0.479   0.207  -1.752  1.00  0.00           H  
HETATM   34  H   UNL     1       3.135   4.510   1.009  1.00  0.00           H  
HETATM   35  H   UNL     1       5.538   2.976   0.074  1.00  0.00           H  
HETATM   36  H   UNL     1       5.912   0.548   0.019  1.00  0.00           H  
HETATM   37  H   UNL     1       1.677  -1.367  -0.328  1.00  0.00           H  
HETATM   38  H   UNL     1       1.068  -0.562   1.136  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.194  -0.968   0.496  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.815  -1.709  -1.081  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.922   0.310  -2.154  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.928   2.651  -0.408  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.003  -1.935  -1.868  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.025  -1.275  -1.343  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.307  -0.693  -3.001  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.367  -2.179  -2.728  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.457  -1.122  -4.023  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.569   0.248  -4.262  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.961   0.520  -3.547  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.164  -2.761   0.800  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.283  -2.423   2.818  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.631  -2.321   3.815  1.00  0.00           H  
CONECT    1    2   32                                                 
CONECT    2    1    3    3   15                                       
CONECT    3    2    2    4   28                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   12   12                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   34                                                 
CONECT    9    7    7   10   35                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10   12   30                                       
CONECT   12    6    6   11   13                                       
CONECT   13   12   28   37   38                                       
CONECT   14   19   28   39   40                                       
CONECT   15    2   16   18   19                                       
CONECT   16   15   17   17   26                                       
CONECT   17   16   16                                                 
CONECT   18   15   42                                                 
CONECT   19   14   15   20   41                                       
CONECT   20   19   21   24   43                                       
CONECT   21   20   23   22                                            
CONECT   22   21   47   48   49                                       
CONECT   23   21   44   45   46                                       
CONECT   24   20   25   26   26                                       
CONECT   25   24   50                                                 
CONECT   26   16   24   24   27                                       
CONECT   27   26   29   29   31                                       
CONECT   28    3   13   14   33                                       
CONECT   29   27   27                                                 
CONECT   30   11                                                      
CONECT   31   27   51   52                                            
CONECT   32    1                                                      
CONECT   33   28                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   19                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
