COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.991   0.484   4.545  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.166   0.751   3.690  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.088   1.420   4.116  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.222   0.206   2.323  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.436   0.771   1.309  1.00  0.00           C  
HETATM    6  F   UNL     1      -0.625   1.816   1.581  1.00  0.00           F  
HETATM    7  C   UNL     1      -1.491   0.250   0.031  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.331  -0.820  -0.245  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.389  -1.327  -1.502  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.490  -0.554  -2.301  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.507  -1.076  -3.739  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.545  -0.248  -4.593  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.562  -0.770  -6.031  1.00  0.00           C  
HETATM   14  C   UNL     1       0.399   0.056  -6.886  1.00  0.00           C  
HETATM   15  C   UNL     1       0.382  -0.465  -8.324  1.00  0.00           C  
HETATM   16  N   UNL     1       1.305   0.329  -9.144  1.00  0.00           N  
HETATM   17  C   UNL     1       0.749   1.687  -9.212  1.00  0.00           C  
HETATM   18  C   UNL     1       1.241  -0.221 -10.505  1.00  0.00           C  
HETATM   19  C   UNL     1       2.171   0.553 -11.404  1.00  0.00           C  
HETATM   20  C   UNL     1       3.153  -0.061 -12.015  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.110  -1.379   0.763  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.059  -0.876   2.031  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.885   1.088   5.800  1.00  0.00           C  
HETATM   24  C   UNL     1       0.213   0.834   6.593  1.00  0.00           C  
HETATM   25  C   UNL     1       1.211  -0.016   6.147  1.00  0.00           C  
HETATM   26 BR   UNL     1       2.715  -0.358   7.241  1.00  0.00          Br  
HETATM   27  C   UNL     1       1.112  -0.617   4.904  1.00  0.00           C  
HETATM   28  C   UNL     1       0.015  -0.376   4.103  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.888   0.681  -0.754  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.482  -0.636  -1.896  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.802   0.490  -2.290  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.516  -0.993  -4.143  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.196  -2.120  -3.749  1.00  0.00           H  
HETATM   34  H   UNL     1       0.462  -0.331  -4.188  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.857   0.796  -4.582  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.571  -0.688  -6.436  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.251  -1.815  -6.042  1.00  0.00           H  
HETATM   38  H   UNL     1       1.407  -0.026  -6.481  1.00  0.00           H  
HETATM   39  H   UNL     1       0.087   1.101  -6.875  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.626  -0.382  -8.729  1.00  0.00           H  
HETATM   41  H   UNL     1       0.693  -1.510  -8.335  1.00  0.00           H  
HETATM   42  H   UNL     1       1.402   2.318  -9.813  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.241   1.651  -9.666  1.00  0.00           H  
HETATM   44  H   UNL     1       0.672   2.098  -8.205  1.00  0.00           H  
HETATM   45  H   UNL     1       1.541  -1.268 -10.488  1.00  0.00           H  
HETATM   46  H   UNL     1       0.221  -0.141 -10.881  1.00  0.00           H  
HETATM   47  H   UNL     1       2.026   1.614 -11.545  1.00  0.00           H  
HETATM   48  H   UNL     1       3.819   0.493 -12.659  1.00  0.00           H  
HETATM   49  H   UNL     1       3.297  -1.122 -11.874  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.757  -2.215   0.542  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.666  -1.313   2.810  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.662   1.751   6.149  1.00  0.00           H  
HETATM   53  H   UNL     1       0.297   1.300   7.564  1.00  0.00           H  
HETATM   54  H   UNL     1       1.893  -1.280   4.562  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.060  -0.846   3.134  1.00  0.00           H  
CONECT    1    2   23   23   28                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5   22                                       
CONECT    5    4    4    6    7                                       
CONECT    6    5                                                      
CONECT    7    5    8    8   29                                       
CONECT    8    7    7    9   21                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   30   31                                       
CONECT   11   10   12   32   33                                       
CONECT   12   11   13   34   35                                       
CONECT   13   12   14   36   37                                       
CONECT   14   13   15   38   39                                       
CONECT   15   14   16   40   41                                       
CONECT   16   15   17   18                                            
CONECT   17   16   42   43   44                                       
CONECT   18   16   19   45   46                                       
CONECT   19   18   20   20   47                                       
CONECT   20   19   19   48   49                                       
CONECT   21    8   22   22   50                                       
CONECT   22    4   21   21   51                                       
CONECT   23    1    1   24   52                                       
CONECT   24   23   25   25   53                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25                                                      
CONECT   27   25   28   28   54                                       
CONECT   28    1   27   27   55                                       
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
