COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.561  -2.832   1.175  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.141  -1.788   0.480  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.379  -1.025  -0.385  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.038  -1.312  -0.561  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.457  -2.354   0.138  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.219  -3.116   1.004  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.012   0.114  -1.143  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.900   1.379  -0.332  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.867   2.219  -0.561  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.705   3.489   0.231  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.087   4.003   0.655  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.789   2.910   1.468  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.868   1.654   0.639  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.952   1.908  -1.522  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.605   1.769  -1.185  1.00  0.00           C  
HETATM   16  C   UNL     1       0.351   1.627  -2.186  1.00  0.00           C  
HETATM   17  C   UNL     1       1.681   1.490  -1.856  1.00  0.00           C  
HETATM   18  C   UNL     1       2.071   1.494  -0.514  1.00  0.00           C  
HETATM   19  C   UNL     1       1.107   1.631   0.490  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.221   1.773   0.152  1.00  0.00           C  
HETATM   21  C   UNL     1       3.493   1.348  -0.157  1.00  0.00           C  
HETATM   22  N   UNL     1       4.372   1.217  -1.094  1.00  0.00           N  
HETATM   23  N   UNL     1       5.729   1.049  -0.806  1.00  0.00           N  
HETATM   24  C   UNL     1       6.128   0.716   0.436  1.00  0.00           C  
HETATM   25  C   UNL     1       5.097   0.430   1.500  1.00  0.00           C  
HETATM   26  C   UNL     1       3.895   1.354   1.294  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.782   0.872   0.817  1.00  0.00           O  
HETATM   28  O   UNL     1       7.311   0.646   0.699  1.00  0.00           O  
HETATM   29  C   UNL     1       4.270   2.777   1.712  1.00  0.00           C  
HETATM   30  I   UNL     1       0.578  -2.783  -0.122  1.00  0.00           I  
HETATM   31  H   UNL     1      -4.157  -3.427   1.852  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.190  -1.566   0.614  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.443  -0.716  -1.238  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.766  -3.932   1.547  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.063  -0.110  -1.324  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.498   0.246  -2.095  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.101   3.297   1.117  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.214   4.239  -0.389  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.681   4.238  -0.229  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.972   4.896   1.268  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.795   3.239   1.728  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.222   2.711   2.377  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.237   1.782  -2.441  1.00  0.00           H  
HETATM   44  H   UNL     1       0.049   1.624  -3.223  1.00  0.00           H  
HETATM   45  H   UNL     1       2.422   1.380  -2.634  1.00  0.00           H  
HETATM   46  H   UNL     1       1.405   1.634   1.528  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.965   1.884   0.927  1.00  0.00           H  
HETATM   48  H   UNL     1       6.389   1.173  -1.506  1.00  0.00           H  
HETATM   49  H   UNL     1       5.529   0.608   2.484  1.00  0.00           H  
HETATM   50  H   UNL     1       4.775  -0.609   1.425  1.00  0.00           H  
HETATM   51  H   UNL     1       3.061   1.005   1.903  1.00  0.00           H  
HETATM   52  H   UNL     1       5.104   3.127   1.104  1.00  0.00           H  
HETATM   53  H   UNL     1       3.413   3.436   1.568  1.00  0.00           H  
HETATM   54  H   UNL     1       4.559   2.783   2.763  1.00  0.00           H  
CONECT    1    2    2    6   31                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    6   30                                       
CONECT    6    1    5    5   34                                       
CONECT    7    3    8   35   36                                       
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   14                                       
CONECT   10    9   11   37   38                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11   13   41   42                                       
CONECT   13    8   12   27   27                                       
CONECT   14    9   15   43                                            
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18   45                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   46                                       
CONECT   20   15   19   19   47                                       
CONECT   21   18   22   22   26                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   48                                            
CONECT   24   23   25   28   28                                       
CONECT   25   24   26   49   50                                       
CONECT   26   21   25   29   51                                       
CONECT   27   13   13                                                 
CONECT   28   24   24                                                 
CONECT   29   26   52   53   54                                       
CONECT   30    5                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
