COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.119   2.805  -2.078  1.00  0.00           O  
HETATM    2  P   UNL     1      -2.997   2.000  -1.252  1.00  0.00           P  
HETATM    3  O   UNL     1      -1.919   1.380  -2.276  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.315   2.922  -0.317  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.781   0.659  -0.315  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.081   0.796   0.131  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.679  -0.226   0.846  1.00  0.00           C  
HETATM    8 BR   UNL     1      -7.459  -0.036   1.456  1.00  0.00          Br  
HETATM    9  C   UNL     1      -4.977  -1.388   1.114  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.678  -1.529   0.670  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.078  -0.508  -0.052  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.798  -0.645  -0.491  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.131  -1.867  -0.173  1.00  0.00           C  
HETATM   14  C   UNL     1       0.266  -1.839  -0.737  1.00  0.00           C  
HETATM   15  C   UNL     1       1.307  -1.341   0.023  1.00  0.00           C  
HETATM   16  C   UNL     1       0.506  -2.315  -2.013  1.00  0.00           C  
HETATM   17  C   UNL     1       1.787  -2.290  -2.533  1.00  0.00           C  
HETATM   18  C   UNL     1       2.830  -1.789  -1.779  1.00  0.00           C  
HETATM   19  C   UNL     1       2.593  -1.315  -0.497  1.00  0.00           C  
HETATM   20  O   UNL     1       3.618  -0.821   0.247  1.00  0.00           O  
HETATM   21  C   UNL     1       4.914  -0.819  -0.355  1.00  0.00           C  
HETATM   22  C   UNL     1       5.931  -0.231   0.625  1.00  0.00           C  
HETATM   23  C   UNL     1       7.319  -0.229  -0.019  1.00  0.00           C  
HETATM   24  C   UNL     1       8.335   0.359   0.961  1.00  0.00           C  
HETATM   25  C   UNL     1       9.723   0.361   0.317  1.00  0.00           C  
HETATM   26  C   UNL     1      10.740   0.950   1.297  1.00  0.00           C  
HETATM   27  C   UNL     1      12.127   0.951   0.653  1.00  0.00           C  
HETATM   28  C   UNL     1      13.144   1.540   1.633  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.803   3.206  -1.524  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.211   0.880  -1.846  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.630   1.702  -0.077  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.447  -2.185   1.672  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.130  -2.436   0.880  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.083  -1.984   0.910  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.680  -2.704  -0.604  1.00  0.00           H  
HETATM   36  H   UNL     1       1.120  -0.973   1.021  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.308  -2.708  -2.603  1.00  0.00           H  
HETATM   38  H   UNL     1       1.972  -2.663  -3.529  1.00  0.00           H  
HETATM   39  H   UNL     1       3.831  -1.770  -2.186  1.00  0.00           H  
HETATM   40  H   UNL     1       5.200  -1.841  -0.605  1.00  0.00           H  
HETATM   41  H   UNL     1       4.893  -0.215  -1.263  1.00  0.00           H  
HETATM   42  H   UNL     1       5.645   0.791   0.875  1.00  0.00           H  
HETATM   43  H   UNL     1       5.952  -0.835   1.532  1.00  0.00           H  
HETATM   44  H   UNL     1       7.604  -1.251  -0.269  1.00  0.00           H  
HETATM   45  H   UNL     1       7.297   0.375  -0.927  1.00  0.00           H  
HETATM   46  H   UNL     1       8.049   1.381   1.211  1.00  0.00           H  
HETATM   47  H   UNL     1       8.357  -0.244   1.868  1.00  0.00           H  
HETATM   48  H   UNL     1      10.009  -0.661   0.067  1.00  0.00           H  
HETATM   49  H   UNL     1       9.701   0.965  -0.590  1.00  0.00           H  
HETATM   50  H   UNL     1      10.454   1.971   1.547  1.00  0.00           H  
HETATM   51  H   UNL     1      10.761   0.346   2.204  1.00  0.00           H  
HETATM   52  H   UNL     1      12.413  -0.070   0.403  1.00  0.00           H  
HETATM   53  H   UNL     1      12.106   1.555  -0.254  1.00  0.00           H  
HETATM   54  H   UNL     1      12.858   2.561   1.883  1.00  0.00           H  
HETATM   55  H   UNL     1      13.165   0.936   2.540  1.00  0.00           H  
HETATM   56  H   UNL     1      14.133   1.541   1.174  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    5    4    4    1                                       
CONECT    2    3                                                      
CONECT    3    2   30                                                 
CONECT    4    2    2                                                 
CONECT    5   11   11    6    2                                       
CONECT    6    7    7    5   31                                       
CONECT    7    9    6    6    8                                       
CONECT    8    7                                                      
CONECT    9   10   10    7   32                                       
CONECT   10    9    9   11   33                                       
CONECT   11   10   12    5    5                                       
CONECT   12   13   11                                                 
CONECT   13   14   12   34   35                                       
CONECT   14   16   13   15   15                                       
CONECT   15   14   14   19   36                                       
CONECT   16   17   17   14   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   15   20                                       
CONECT   20   21   19                                                 
CONECT   21   22   20   40   41                                       
CONECT   22   21   23   42   43                                       
CONECT   23   22   24   44   45                                       
CONECT   24   23   25   46   47                                       
CONECT   25   24   26   48   49                                       
CONECT   26   27   25   50   51                                       
CONECT   27   26   28   52   53                                       
CONECT   28   27   54   55   56                                       
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
