COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.307  -4.055  -0.268  1.00  0.00           O  
HETATM    2  N   UNL     1       2.500  -2.603   0.763  1.00  0.00           N  
HETATM    3  O   UNL     1       1.321  -2.842   0.894  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.295  -3.072  -0.970  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.561  -1.715  -0.371  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.916  -1.634   1.014  1.00  0.00           C  
HETATM    7  C   UNL     1       1.441  -0.692   0.715  1.00  0.00           C  
HETATM    8  C   UNL     1       2.717  -1.317   0.642  1.00  0.00           C  
HETATM    9  C   UNL     1       4.029  -0.647   0.465  1.00  0.00           C  
HETATM   10  C   UNL     1       4.094   0.742   0.357  1.00  0.00           C  
HETATM   11  C   UNL     1       5.312   1.364   0.192  1.00  0.00           C  
HETATM   12  C   UNL     1       6.480   0.605   0.133  1.00  0.00           C  
HETATM   13  C   UNL     1       6.415  -0.784   0.242  1.00  0.00           C  
HETATM   14  C   UNL     1       5.197  -1.406   0.412  1.00  0.00           C  
HETATM   15  C   UNL     1       0.582  -1.724   0.878  1.00  0.00           C  
HETATM   16 CL   UNL     1      11.636   0.207  -0.344  1.00  0.00          Cl  
HETATM   17  C   UNL     1      10.179   1.147  -0.270  1.00  0.00           C  
HETATM   18  C   UNL     1       8.960   0.518  -0.104  1.00  0.00           C  
HETATM   19  C   UNL     1      10.240   2.526  -0.372  1.00  0.00           C  
HETATM   20  C   UNL     1       9.082   3.281  -0.314  1.00  0.00           C  
HETATM   21  C   UNL     1       7.859   2.662  -0.154  1.00  0.00           C  
HETATM   22  C   UNL     1       7.791   1.274  -0.045  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.070  -1.500  -0.245  1.00  0.00           C  
HETATM   24  P   UNL     1      -3.412   0.273   0.010  1.00  0.00           P  
HETATM   25  O   UNL     1      -2.812   0.735   1.431  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.778   1.058  -1.072  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.204   0.552  -0.009  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.846   0.837  -1.199  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.212   1.049  -1.215  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.936   0.977  -0.038  1.00  0.00           C  
HETATM   31 BR   UNL     1      -9.804   1.267  -0.058  1.00  0.00          Br  
HETATM   32  C   UNL     1      -7.293   0.692   1.153  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.928   0.474   1.166  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.136  -0.945  -1.015  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.183  -0.687   1.484  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.275  -2.459   1.630  1.00  0.00           H  
HETATM   37  H   UNL     1       1.211   0.362   0.655  1.00  0.00           H  
HETATM   38  H   UNL     1       3.189   1.330   0.402  1.00  0.00           H  
HETATM   39  H   UNL     1       5.362   2.439   0.108  1.00  0.00           H  
HETATM   40  H   UNL     1       7.320  -1.372   0.196  1.00  0.00           H  
HETATM   41  H   UNL     1       5.148  -2.481   0.500  1.00  0.00           H  
HETATM   42  H   UNL     1       8.914  -0.558  -0.020  1.00  0.00           H  
HETATM   43  H   UNL     1      11.194   3.015  -0.497  1.00  0.00           H  
HETATM   44  H   UNL     1       9.135   4.357  -0.393  1.00  0.00           H  
HETATM   45  H   UNL     1       6.956   3.253  -0.109  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.562  -1.837  -1.158  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.449  -2.069   0.604  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.182   0.261   2.188  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.281   0.894  -2.118  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.713   1.272  -2.145  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.858   0.635   2.072  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.426   0.252   2.096  1.00  0.00           H  
HETATM   53  O   UNL     1      -1.046  -3.189  -2.284  1.00  0.00           O  
HETATM   54  H   UNL     1      -0.881  -4.080  -2.622  1.00  0.00           H  
CONECT    1    4    4                                                 
CONECT    2    3    8    8                                            
CONECT    3   15    2                                                 
CONECT    4    5    1    1   53                                       
CONECT    5   23    6    4   34                                       
CONECT    6    5   15   35   36                                       
CONECT    7   15   15    8   37                                       
CONECT    8    7    2    2    9                                       
CONECT    9   10    8   14   14                                       
CONECT   10   11   11    9   38                                       
CONECT   11   10   10   12   39                                       
CONECT   12   11   22   13   13                                       
CONECT   13   12   12   14   40                                       
CONECT   14    9    9   13   41                                       
CONECT   15    6    7    7    3                                       
CONECT   16   17                                                      
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   22   42                                       
CONECT   19   17   20   20   43                                       
CONECT   20   19   19   21   44                                       
CONECT   21   22   22   20   45                                       
CONECT   22   18   12   21   21                                       
CONECT   23   24    5   46   47                                       
CONECT   24   27   26   26   25                                       
CONECT   24   23                                                      
CONECT   25   24   48                                                 
CONECT   26   24   24                                                 
CONECT   27   28   28   33   24                                       
CONECT   28   29   27   27   49                                       
CONECT   29   30   30   28   50                                       
CONECT   30   31   29   29   32                                       
CONECT   31   30                                                      
CONECT   32   30   33   33   51                                       
CONECT   33   32   32   27   52                                       
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   32                                                      
CONECT   52   33                                                      
CONECT   53    4   54                                                 
CONECT   54   53                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
