COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.569  -5.363   0.045  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.849  -4.034   0.018  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.356  -3.410   1.151  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.642  -2.062   1.127  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.421  -1.323  -0.036  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.725   0.124  -0.066  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.130   0.586  -0.007  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.578   1.328   1.087  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.887   1.756   1.138  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.760   1.451   0.102  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.049   1.875   0.155  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.318   0.713  -0.989  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.009   0.286  -1.049  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.717   1.028  -0.146  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.876   2.517  -0.330  1.00  0.00           C  
HETATM   16  C   UNL     1       0.553   3.078  -0.356  1.00  0.00           C  
HETATM   17  C   UNL     1       1.475   1.894  -0.185  1.00  0.00           C  
HETATM   18  C   UNL     1       0.720   0.727  -0.061  1.00  0.00           C  
HETATM   19  C   UNL     1       1.377  -0.503   0.108  1.00  0.00           C  
HETATM   20  C   UNL     1       2.752  -0.550   0.150  1.00  0.00           C  
HETATM   21  C   UNL     1       3.493   0.613   0.025  1.00  0.00           C  
HETATM   22 BR   UNL     1       5.381   0.541   0.096  1.00  0.00          Br  
HETATM   23  C   UNL     1       2.855   1.831  -0.133  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.911  -1.954  -1.173  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.623  -3.302  -1.140  1.00  0.00           C  
HETATM   26  H   UNL     1      -1.310  -5.927  -0.216  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.528  -3.982   2.051  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.036  -1.577   2.008  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.899   1.565   1.893  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.234   2.330   1.984  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.194   2.744  -0.242  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.000   0.477  -1.792  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.665  -0.284  -1.900  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.381   2.730  -1.272  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.435   2.944   0.502  1.00  0.00           H  
HETATM   36  H   UNL     1       0.746   3.568  -1.310  1.00  0.00           H  
HETATM   37  H   UNL     1       0.693   3.783   0.463  1.00  0.00           H  
HETATM   38  H   UNL     1       0.802  -1.412   0.205  1.00  0.00           H  
HETATM   39  H   UNL     1       3.254  -1.497   0.280  1.00  0.00           H  
HETATM   40  H   UNL     1       3.438   2.735  -0.229  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.735  -1.385  -2.074  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.229  -3.790  -2.019  1.00  0.00           H  
CONECT    1    2   26                                                 
CONECT    2   25    1    3    3                                       
CONECT    3    2    2    4   27                                       
CONECT    4    5    5    3   28                                       
CONECT    5   24    6    4    4                                       
CONECT    6   14   14    5    7                                       
CONECT    7    6    8    8   13                                       
CONECT    8    7    7    9   29                                       
CONECT    9    8   10   10   30                                       
CONECT   10    9    9   12   11                                       
CONECT   11   10   31                                                 
CONECT   12   13   13   10   32                                       
CONECT   13    7   12   12   33                                       
CONECT   14   18   15    6    6                                       
CONECT   15   16   14   34   35                                       
CONECT   16   17   15   36   37                                       
CONECT   17   23   18   18   16                                       
CONECT   18   17   17   19   14                                       
CONECT   19   20   20   18   38                                       
CONECT   20   21   19   19   39                                       
CONECT   21   22   23   23   20                                       
CONECT   22   21                                                      
CONECT   23   21   21   17   40                                       
CONECT   24   25   25    5   41                                       
CONECT   25   24   24    2   42                                       
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
