COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.952  -1.159   0.903  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.032  -0.799  -0.435  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.982   0.117  -0.847  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.852   0.674   0.072  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.776   0.317   1.407  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.833  -0.602   1.825  1.00  0.00           C  
HETATM    7  N   UNL     1       0.009  -2.086   1.323  1.00  0.00           N  
HETATM    8  C   UNL     1       0.797  -2.744   0.385  1.00  0.00           C  
HETATM    9  C   UNL     1       1.947  -2.125  -0.129  1.00  0.00           C  
HETATM   10  C   UNL     1       2.732  -2.796  -1.071  1.00  0.00           C  
HETATM   11  C   UNL     1       2.374  -4.058  -1.490  1.00  0.00           C  
HETATM   12  C   UNL     1       1.237  -4.670  -0.981  1.00  0.00           C  
HETATM   13  C   UNL     1       0.452  -4.020  -0.044  1.00  0.00           C  
HETATM   14  C   UNL     1       2.325  -0.774   0.321  1.00  0.00           C  
HETATM   15  N   UNL     1       3.363  -0.137  -0.257  1.00  0.00           N  
HETATM   16  O   UNL     1       1.702  -0.234   1.215  1.00  0.00           O  
HETATM   17  O   UNL     1       3.726   1.162   0.176  1.00  0.00           O  
HETATM   18  C   UNL     1       4.842   1.716  -0.523  1.00  0.00           C  
HETATM   19  C   UNL     1       6.256   3.757  -0.805  1.00  0.00           C  
HETATM   20  O   UNL     1       5.565   3.010   1.386  1.00  0.00           O  
HETATM   21  O   UNL     1       6.458   5.102  -0.369  1.00  0.00           O  
HETATM   22  C   UNL     1       5.144   3.113   0.025  1.00  0.00           C  
HETATM   23  I   UNL     1      -4.290   2.062  -0.559  1.00  0.00           I  
HETATM   24  F   UNL     1      -1.758  -0.951   3.128  1.00  0.00           F  
HETATM   25  F   UNL     1      -0.650  -4.624   0.450  1.00  0.00           F  
HETATM   26  F   UNL     1       0.895  -5.909  -1.400  1.00  0.00           F  
HETATM   27  H   UNL     1      -3.461   0.751   2.121  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.352  -1.232  -1.153  1.00  0.00           H  
HETATM   29  H   UNL     1       0.125  -2.269   2.268  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.044   0.398  -1.888  1.00  0.00           H  
HETATM   31  H   UNL     1       5.972   3.754  -1.858  1.00  0.00           H  
HETATM   32  H   UNL     1       7.179   3.191  -0.677  1.00  0.00           H  
HETATM   33  H   UNL     1       4.246   3.728  -0.033  1.00  0.00           H  
HETATM   34  H   UNL     1       7.151   5.573  -0.853  1.00  0.00           H  
HETATM   35  H   UNL     1       3.618  -2.326  -1.471  1.00  0.00           H  
HETATM   36  H   UNL     1       2.982  -4.575  -2.218  1.00  0.00           H  
HETATM   37  H   UNL     1       3.860  -0.567  -0.970  1.00  0.00           H  
HETATM   38  H   UNL     1       5.713   1.076  -0.384  1.00  0.00           H  
HETATM   39  H   UNL     1       4.607   1.786  -1.585  1.00  0.00           H  
HETATM   40  H   UNL     1       6.361   2.475   1.513  1.00  0.00           H  
CONECT    1    6    2    2    7                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4   30                                       
CONECT    4   23    5    3    3                                       
CONECT    5    6    6    4   27                                       
CONECT    6    5    5    1   24                                       
CONECT    7    1    8   29                                            
CONECT    8    7    9   13   13                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   35                                       
CONECT   11   10   12   12   36                                       
CONECT   12   11   11   13   26                                       
CONECT   13    8    8   12   25                                       
CONECT   14    9   16   16   15                                       
CONECT   15   14   17   37                                            
CONECT   16   14   14                                                 
CONECT   17   15   18                                                 
CONECT   18   17   22   38   39                                       
CONECT   19   22   21   31   32                                       
CONECT   20   22   40                                                 
CONECT   21   19   34                                                 
CONECT   22   19   18   20   33                                       
CONECT   23    4                                                      
CONECT   24    6                                                      
CONECT   25   13                                                      
CONECT   26   12                                                      
CONECT   27    5                                                      
CONECT   28    2                                                      
CONECT   29    7                                                      
CONECT   30    3                                                      
CONECT   31   19                                                      
CONECT   32   19                                                      
CONECT   33   22                                                      
CONECT   34   21                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
