COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.538   0.629  -0.604  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.262   1.394   0.290  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.240   1.967   1.008  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.819   1.698   0.602  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.915   0.916  -0.352  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.472   1.220  -0.040  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.195   1.988   0.858  1.00  0.00           O  
HETATM    8  N   UNL     1      -1.490   0.640  -0.757  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.164   1.014  -0.553  1.00  0.00           C  
HETATM   10  C   UNL     1       0.136   2.268  -0.039  1.00  0.00           C  
HETATM   11  C   UNL     1       1.451   2.636   0.164  1.00  0.00           C  
HETATM   12  C   UNL     1       2.480   1.761  -0.144  1.00  0.00           C  
HETATM   13 BR   UNL     1       4.276   2.282   0.139  1.00  0.00          Br  
HETATM   14  C   UNL     1       2.201   0.510  -0.655  1.00  0.00           C  
HETATM   15  C   UNL     1       0.875   0.122  -0.860  1.00  0.00           C  
HETATM   16  C   UNL     1       0.569  -1.214  -1.406  1.00  0.00           C  
HETATM   17  O   UNL     1       0.022  -1.317  -2.487  1.00  0.00           O  
HETATM   18  N   UNL     1       0.896  -2.319  -0.707  1.00  0.00           N  
HETATM   19  C   UNL     1       1.643  -2.213   0.553  1.00  0.00           C  
HETATM   20  C   UNL     1       0.872  -2.958   1.647  1.00  0.00           C  
HETATM   21  C   UNL     1       1.700  -2.975   2.934  1.00  0.00           C  
HETATM   22  C   UNL     1       0.608  -4.395   1.191  1.00  0.00           C  
HETATM   23  C   UNL     1       0.506  -3.651  -1.188  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.248  -4.380  -0.077  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.539  -5.817  -0.514  1.00  0.00           C  
HETATM   26  H   UNL     1      -8.149   1.738   0.773  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.639   2.766   0.480  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.601   1.408   1.630  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.095  -0.152  -0.230  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.133   1.206  -1.380  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.707  -0.038  -1.417  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.660   2.956   0.203  1.00  0.00           H  
HETATM   33  H   UNL     1       1.679   3.613   0.563  1.00  0.00           H  
HETATM   34  H   UNL     1       3.006  -0.169  -0.893  1.00  0.00           H  
HETATM   35  H   UNL     1       2.630  -2.661   0.431  1.00  0.00           H  
HETATM   36  H   UNL     1       1.750  -1.164   0.828  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.076  -2.454   1.831  1.00  0.00           H  
HETATM   38  H   UNL     1       1.891  -1.951   3.257  1.00  0.00           H  
HETATM   39  H   UNL     1       1.151  -3.505   3.712  1.00  0.00           H  
HETATM   40  H   UNL     1       2.648  -3.480   2.750  1.00  0.00           H  
HETATM   41  H   UNL     1       1.556  -4.891   0.984  1.00  0.00           H  
HETATM   42  H   UNL     1       0.081  -4.934   1.979  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.140  -3.550  -2.061  1.00  0.00           H  
HETATM   44  H   UNL     1       1.397  -4.218  -1.457  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.186  -3.863   0.123  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.076  -6.336   0.280  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.148  -5.806  -1.417  1.00  0.00           H  
HETATM   48  H   UNL     1       0.400  -6.333  -0.715  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   26                                                 
CONECT    4    2    5   27   28                                       
CONECT    5    4    6   29   30                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   31                                            
CONECT    9    8   10   10   15                                       
CONECT   10    9    9   11   32                                       
CONECT   11   10   12   12   33                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12                                                      
CONECT   14   12   15   15   34                                       
CONECT   15    9   14   14   16                                       
CONECT   16   15   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   23                                            
CONECT   19   18   20   35   36                                       
CONECT   20   19   21   22   37                                       
CONECT   21   20   38   39   40                                       
CONECT   22   20   24   41   42                                       
CONECT   23   18   24   43   44                                       
CONECT   24   22   23   25   45                                       
CONECT   25   24   46   47   48                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
