COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.195  -1.693  -0.412  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.374  -2.806  -0.399  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.018  -2.664  -0.188  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.474  -1.395   0.012  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.308  -0.275  -0.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.663  -0.431  -0.215  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.023  -1.236   0.239  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.299  -2.212   0.252  1.00  0.00           O  
HETATM    9  I   UNL     1      -5.917   1.248  -0.237  1.00  0.00           I  
HETATM   10  C   UNL     1      -6.674  -1.855  -0.650  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.501  -0.008   0.432  1.00  0.00           N  
HETATM   12  C   UNL     1       0.856   0.135   0.743  1.00  0.00           C  
HETATM   13  C   UNL     1       1.786  -0.725   0.183  1.00  0.00           C  
HETATM   14  C   UNL     1       3.130  -0.579   0.495  1.00  0.00           C  
HETATM   15  C   UNL     1       3.539   0.437   1.375  1.00  0.00           C  
HETATM   16  C   UNL     1       2.585   1.295   1.930  1.00  0.00           C  
HETATM   17  C   UNL     1       1.266   1.145   1.612  1.00  0.00           C  
HETATM   18  N   UNL     1       4.280  -1.246   0.122  1.00  0.00           N  
HETATM   19  C   UNL     1       5.322  -0.644   0.758  1.00  0.00           C  
HETATM   20  N   UNL     1       4.889   0.340   1.491  1.00  0.00           N  
HETATM   21  C   UNL     1       6.766  -1.056   0.632  1.00  0.00           C  
HETATM   22  N   UNL     1       7.420  -0.240  -0.399  1.00  0.00           N  
HETATM   23  C   UNL     1       8.754  -0.766  -0.718  1.00  0.00           C  
HETATM   24  C   UNL     1       9.344   0.018  -1.893  1.00  0.00           C  
HETATM   25  C   UNL     1       9.435   1.499  -1.518  1.00  0.00           C  
HETATM   26  C   UNL     1       8.041   2.010  -1.143  1.00  0.00           C  
HETATM   27  C   UNL     1       7.488   1.169   0.010  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.795  -3.789  -0.554  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.378  -3.534  -0.177  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.894   0.710   0.152  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.879  -1.800  -1.719  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.000  -2.823  -0.267  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.214  -1.061  -0.134  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.066   0.777   0.356  1.00  0.00           H  
HETATM   35  H   UNL     1       1.467  -1.504  -0.493  1.00  0.00           H  
HETATM   36  H   UNL     1       2.892   2.078   2.607  1.00  0.00           H  
HETATM   37  H   UNL     1       0.533   1.813   2.040  1.00  0.00           H  
HETATM   38  H   UNL     1       4.335  -2.003  -0.482  1.00  0.00           H  
HETATM   39  H   UNL     1       7.270  -0.909   1.587  1.00  0.00           H  
HETATM   40  H   UNL     1       6.820  -2.108   0.352  1.00  0.00           H  
HETATM   41  H   UNL     1       9.403  -0.661   0.151  1.00  0.00           H  
HETATM   42  H   UNL     1       8.674  -1.819  -0.987  1.00  0.00           H  
HETATM   43  H   UNL     1      10.340  -0.362  -2.119  1.00  0.00           H  
HETATM   44  H   UNL     1       8.703  -0.098  -2.766  1.00  0.00           H  
HETATM   45  H   UNL     1      10.108   1.619  -0.668  1.00  0.00           H  
HETATM   46  H   UNL     1       9.815   2.067  -2.367  1.00  0.00           H  
HETATM   47  H   UNL     1       8.106   3.053  -0.834  1.00  0.00           H  
HETATM   48  H   UNL     1       7.379   1.926  -2.005  1.00  0.00           H  
HETATM   49  H   UNL     1       6.490   1.520   0.270  1.00  0.00           H  
HETATM   50  H   UNL     1       8.144   1.264   0.876  1.00  0.00           H  
CONECT    1   10    2    2    6                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5    7                                       
CONECT    5    6    6    4   30                                       
CONECT    6    1    9    5    5                                       
CONECT    7    8    8    4   11                                       
CONECT    8    7    7                                                 
CONECT    9    6                                                      
CONECT   10    1   31   32   33                                       
CONECT   11    7   12   34                                            
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   35                                       
CONECT   14   13   18   15   15                                       
CONECT   15   14   14   16   20                                       
CONECT   16   17   17   15   36                                       
CONECT   17   12   16   16   37                                       
CONECT   18   14   19   38                                            
CONECT   19   18   21   20   20                                       
CONECT   20   19   19   15                                            
CONECT   21   19   22   39   40                                       
CONECT   22   21   23   27                                            
CONECT   23   22   24   41   42                                       
CONECT   24   23   25   43   44                                       
CONECT   25   24   26   45   46                                       
CONECT   26   27   25   47   48                                       
CONECT   27   22   26   49   50                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
