COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.595  -0.724  -0.075  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.166   0.647  -0.034  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.366  -0.686  -1.069  1.00  0.00           C  
HETATM    4  C   UNL     1       3.847   0.328   0.721  1.00  0.00           C  
HETATM    5  C   UNL     1       4.535   2.339   2.038  1.00  0.00           C  
HETATM    6  C   UNL     1       1.609  -4.018   0.517  1.00  0.00           C  
HETATM    7  C   UNL     1       3.841  -4.111   1.098  1.00  0.00           C  
HETATM    8  C   UNL     1       2.962  -2.023   0.695  1.00  0.00           C  
HETATM    9  C   UNL     1       1.717  -2.621   0.424  1.00  0.00           C  
HETATM   10  C   UNL     1       0.799  -1.532   0.092  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.634  -1.670  -0.268  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.020  -0.634  -0.543  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.409   1.255  -0.037  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.506   0.589  -0.554  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.127  -1.306  -1.058  1.00  0.00           C  
HETATM   16  C   UNL     1       3.427   1.306   1.821  1.00  0.00           C  
HETATM   17  C   UNL     1       4.750   3.130   0.743  1.00  0.00           C  
HETATM   18  C   UNL     1       6.111   2.313  -1.121  1.00  0.00           C  
HETATM   19  C   UNL     1       7.084   3.435  -0.864  1.00  0.00           C  
HETATM   20  C   UNL     1       8.233   3.354  -1.872  1.00  0.00           C  
HETATM   21  C   UNL     1       4.055   1.096  -0.588  1.00  0.00           C  
HETATM   22  N   UNL     1       0.409  -4.654   0.261  1.00  0.00           N  
HETATM   23  N   UNL     1       2.691  -4.714   0.851  1.00  0.00           N  
HETATM   24  N   UNL     1       3.988  -2.807   1.028  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.760  -1.252  -0.541  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.454  -2.535  -1.018  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.197  -2.745  -0.836  1.00  0.00           N  
HETATM   28  N   UNL     1       1.476  -0.411   0.170  1.00  0.00           N  
HETATM   29  N   UNL     1       2.799  -0.680   0.536  1.00  0.00           N  
HETATM   30  N   UNL     1       5.012   2.184  -0.350  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.989  -2.562  -1.558  1.00  0.00           O  
HETATM   32  O   UNL     1       6.316   1.526  -2.021  1.00  0.00           O  
HETATM   33 BR   UNL     1      -5.608   2.999   0.665  1.00  0.00          Br  
HETATM   34  H   UNL     1      -1.460   0.252   0.366  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.311   1.169   0.370  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.224  -1.203  -1.471  1.00  0.00           H  
HETATM   37  H   UNL     1       4.777  -0.163   1.007  1.00  0.00           H  
HETATM   38  H   UNL     1       4.245   3.021   2.837  1.00  0.00           H  
HETATM   39  H   UNL     1       5.459   1.829   2.311  1.00  0.00           H  
HETATM   40  H   UNL     1       4.693  -4.715   1.371  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.473   1.070  -0.563  1.00  0.00           H  
HETATM   42  H   UNL     1       2.509   1.814   1.523  1.00  0.00           H  
HETATM   43  H   UNL     1       3.254   0.758   2.747  1.00  0.00           H  
HETATM   44  H   UNL     1       3.857   3.711   0.517  1.00  0.00           H  
HETATM   45  H   UNL     1       5.603   3.798   0.862  1.00  0.00           H  
HETATM   46  H   UNL     1       6.572   4.391  -0.973  1.00  0.00           H  
HETATM   47  H   UNL     1       7.481   3.348   0.147  1.00  0.00           H  
HETATM   48  H   UNL     1       7.836   3.441  -2.883  1.00  0.00           H  
HETATM   49  H   UNL     1       8.936   4.165  -1.686  1.00  0.00           H  
HETATM   50  H   UNL     1       8.744   2.397  -1.763  1.00  0.00           H  
HETATM   51  H   UNL     1       4.449   0.422  -1.348  1.00  0.00           H  
HETATM   52  H   UNL     1       3.104   1.509  -0.924  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.420  -4.151   0.279  1.00  0.00           H  
HETATM   54  H   UNL     1       0.396  -5.603   0.063  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.116  -3.263  -0.904  1.00  0.00           H  
CONECT    1   11   11   25   34                                       
CONECT    2   12   12   13   35                                       
CONECT    3   15   15   14   36                                       
CONECT    4   16   29   21   37                                       
CONECT    5   16   17   38   39                                       
CONECT    6   23   23   22    9                                       
CONECT    7   24   24   23   40                                       
CONECT    8   24    9    9   29                                       
CONECT    9    8    8    6   10                                       
CONECT   10    9   28   28   11                                       
CONECT   11   10   27    1    1                                       
CONECT   12   25    2    2   15                                       
CONECT   13    2   33   14   14                                       
CONECT   14   13   13    3   41                                       
CONECT   15   12   31    3    3                                       
CONECT   16    5    4   42   43                                       
CONECT   17    5   30   44   45                                       
CONECT   18   32   32   30   19                                       
CONECT   19   18   20   46   47                                       
CONECT   20   19   48   49   50                                       
CONECT   21    4   30   51   52                                       
CONECT   22    6   53   54                                            
CONECT   23    7    6    6                                            
CONECT   24    7    7    8                                            
CONECT   25    1   26   12                                            
CONECT   26   27   27   25                                            
CONECT   27   11   26   26                                            
CONECT   28   29   10   10                                            
CONECT   29    8    4   28                                            
CONECT   30   18   17   21                                            
CONECT   31   15   55                                                 
CONECT   32   18   18                                                 
CONECT   33   13                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
