COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.364   4.115  -0.275  1.00  0.00           N  
HETATM    2  C   UNL     1       3.136   3.128  -0.758  1.00  0.00           C  
HETATM    3  C   UNL     1       2.539   1.832  -0.379  1.00  0.00           C  
HETATM    4  C   UNL     1       1.391   2.133   0.343  1.00  0.00           C  
HETATM    5  C   UNL     1       1.312   3.609   0.390  1.00  0.00           C  
HETATM    6  O   UNL     1       0.443   4.255   0.940  1.00  0.00           O  
HETATM    7  O   UNL     1       4.156   3.276  -1.402  1.00  0.00           O  
HETATM    8  C   UNL     1       3.056   0.490  -0.702  1.00  0.00           C  
HETATM    9  C   UNL     1       4.208  -0.193  -0.083  1.00  0.00           C  
HETATM   10  C   UNL     1       4.297  -1.436  -0.725  1.00  0.00           C  
HETATM   11  O   UNL     1       3.303  -1.499  -1.637  1.00  0.00           O  
HETATM   12  C   UNL     1       2.565  -0.378  -1.629  1.00  0.00           C  
HETATM   13  C   UNL     1       0.445   1.176   0.941  1.00  0.00           C  
HETATM   14  C   UNL     1       0.639   0.434   2.069  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.459  -0.333   2.307  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.415  -0.116   1.336  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.900   0.838   0.443  1.00  0.00           C  
HETATM   18  C   UNL     1       5.117   0.148   0.914  1.00  0.00           C  
HETATM   19  C   UNL     1       6.108  -0.742   1.271  1.00  0.00           C  
HETATM   20  C   UNL     1       6.201  -1.973   0.640  1.00  0.00           C  
HETATM   21  C   UNL     1       5.304  -2.325  -0.354  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.661   1.258  -0.647  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.922   0.735  -0.841  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.433  -0.207   0.044  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.687  -0.635   1.121  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.605  -1.258   3.434  1.00  0.00           C  
HETATM   27  F   UNL     1      -3.663   1.139  -1.896  1.00  0.00           F  
HETATM   28  I   UNL     1      -5.352  -0.990  -0.267  1.00  0.00           I  
HETATM   29  O   UNL     1       5.405  -3.534  -0.965  1.00  0.00           O  
HETATM   30  C   UNL     1       6.462  -4.393  -0.533  1.00  0.00           C  
HETATM   31  H   UNL     1       2.544   5.062  -0.385  1.00  0.00           H  
HETATM   32  H   UNL     1       1.714  -0.190  -2.267  1.00  0.00           H  
HETATM   33  H   UNL     1       1.530   0.452   2.680  1.00  0.00           H  
HETATM   34  H   UNL     1       5.047   1.106   1.407  1.00  0.00           H  
HETATM   35  H   UNL     1       6.814  -0.480   2.044  1.00  0.00           H  
HETATM   36  H   UNL     1       6.980  -2.664   0.926  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.265   1.990  -1.335  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.094  -1.367   1.803  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.046  -0.732   4.281  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.253  -2.085   3.143  1.00  0.00           H  
HETATM   41  H   UNL     1       0.374  -1.645   3.716  1.00  0.00           H  
HETATM   42  H   UNL     1       6.343  -4.611   0.529  1.00  0.00           H  
HETATM   43  H   UNL     1       6.429  -5.324  -1.100  1.00  0.00           H  
HETATM   44  H   UNL     1       7.421  -3.901  -0.697  1.00  0.00           H  
CONECT    1    2    5   31                                            
CONECT    2    1    7    7    3                                       
CONECT    3    2    8    4    4                                       
CONECT    4    3    3   13    5                                       
CONECT    5    1    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    2    2                                                 
CONECT    8    3   12   12    9                                       
CONECT    9    8   10   18   18                                       
CONECT   10    9   21   21   11                                       
CONECT   11   10   12                                                 
CONECT   12    8    8   11   32                                       
CONECT   13    4   17   14   14                                       
CONECT   14   13   13   15   33                                       
CONECT   15   14   16   26                                            
CONECT   16   15   17   17   25                                       
CONECT   17   13   16   16   22                                       
CONECT   18    9    9   19   34                                       
CONECT   19   18   20   20   35                                       
CONECT   20   19   19   21   36                                       
CONECT   21   10   10   20   29                                       
CONECT   22   17   23   23   37                                       
CONECT   23   22   22   27   24                                       
CONECT   24   23   28   25   25                                       
CONECT   25   16   24   24   38                                       
CONECT   26   15   39   40   41                                       
CONECT   27   23                                                      
CONECT   28   24                                                      
CONECT   29   21   30                                                 
CONECT   30   29   42   43   44                                       
CONECT   31    1                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   22                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   30                                                      
CONECT   43   30                                                      
CONECT   44   30                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
