COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.601   0.597  -1.564  1.00  0.00           C  
HETATM    2  C   UNL     1       5.805  -0.084  -1.576  1.00  0.00           C  
HETATM    3  C   UNL     1       6.022  -1.065  -0.617  1.00  0.00           C  
HETATM    4  C   UNL     1       7.320  -1.830  -0.594  1.00  0.00           C  
HETATM    5  C   UNL     1       5.038  -1.332   0.316  1.00  0.00           C  
HETATM    6  N   UNL     1       3.899  -0.670   0.307  1.00  0.00           N  
HETATM    7  C   UNL     1       3.651   0.276  -0.593  1.00  0.00           C  
HETATM    8  C   UNL     1       2.362   0.997  -0.562  1.00  0.00           C  
HETATM    9  O   UNL     1       1.391   0.871   0.369  1.00  0.00           O  
HETATM   10  C   UNL     1       1.928   1.919  -1.460  1.00  0.00           C  
HETATM   11  N   UNL     1       0.714   2.326  -1.065  1.00  0.00           N  
HETATM   12  C   UNL     1       0.393   1.697   0.031  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.893   1.875   0.797  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.191   3.268   0.911  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.030   1.170   0.054  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.309   1.244   0.892  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.446   0.539   0.150  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.724   0.612   0.987  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.861  -0.093   0.245  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.139  -0.020   1.082  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.260  -0.714   0.351  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.060  -0.002  -0.522  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.088  -0.639  -1.193  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.314  -1.988  -0.990  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.513  -2.700  -0.117  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.483  -2.064   0.550  1.00  0.00           C  
HETATM   27  H   UNL     1       4.401   1.368  -2.293  1.00  0.00           H  
HETATM   28  H   UNL     1       6.559   0.142  -2.316  1.00  0.00           H  
HETATM   29  H   UNL     1       7.144  -2.831  -0.199  1.00  0.00           H  
HETATM   30  H   UNL     1       7.717  -1.904  -1.606  1.00  0.00           H  
HETATM   31  H   UNL     1       5.205  -2.094   1.062  1.00  0.00           H  
HETATM   32  H   UNL     1       2.464   2.261  -2.333  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.786   1.444   1.792  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.299   3.718   0.062  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.196   1.660  -0.905  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.764   0.126  -0.111  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.143   0.754   1.852  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.575   2.288   1.058  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.612   1.028  -0.810  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.179  -0.505  -0.016  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.558   0.123   1.947  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.990   1.656   1.153  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.027   0.396  -0.715  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.595  -1.137   0.079  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.974  -0.509   2.042  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.406   1.024   1.248  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.884   1.051  -0.681  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.714  -0.083  -1.875  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.117  -2.485  -1.514  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.690  -3.753   0.041  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.854  -2.621   1.229  1.00  0.00           H  
HETATM   52 BR   UNL     1       8.614  -0.892   0.551  1.00  0.00          Br  
CONECT    1    2    2    7   27                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   29   30   52                                       
CONECT    5    3    3    6   31                                       
CONECT    6    7    7    5                                            
CONECT    7    1    8    6    6                                       
CONECT    8    9    7   10   10                                       
CONECT    9   12    8                                                 
CONECT   10    8    8   11   32                                       
CONECT   11   12   12   10                                            
CONECT   12   13    9   11   11                                       
CONECT   13   15   12   14   33                                       
CONECT   14   13   34                                                 
CONECT   15   16   13   35   36                                       
CONECT   16   17   15   37   38                                       
CONECT   17   16   18   39   40                                       
CONECT   18   17   19   41   42                                       
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   22   20   26   26                                       
CONECT   22   23   23   21   47                                       
CONECT   23   22   22   24   48                                       
CONECT   24   23   25   25   49                                       
CONECT   25   24   24   26   50                                       
CONECT   26   21   21   25   51                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52    4                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
