COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.071  -5.379  -0.375  1.00  0.00           O  
HETATM    2  P   UNL     1      -5.264  -3.912  -0.402  1.00  0.00           P  
HETATM    3  O   UNL     1      -5.687  -3.454  -1.887  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.424  -3.504   0.636  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.736  -4.069   0.599  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.584  -3.464   1.720  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.802  -2.037   1.452  1.00  0.00           N1+
HETATM    8  C   UNL     1      -9.380  -1.872   0.112  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.725  -1.486   2.454  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.520  -1.324   1.524  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.890  -3.183   0.014  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.648  -3.424  -0.651  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.552  -2.573  -0.008  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.839  -1.167  -0.228  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.410  -0.301   0.710  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.812  -0.709   1.685  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.666   1.146   0.552  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.223   2.046   1.522  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.465   3.397   1.369  1.00  0.00           C  
HETATM   20 BR   UNL     1      -0.865   4.618   2.682  1.00  0.00          Br  
HETATM   21  C   UNL     1      -2.147   3.858   0.256  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.347   1.619  -0.571  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.589   2.970  -0.710  1.00  0.00           C  
HETATM   24  I   UNL     1      -3.619   3.681  -2.390  1.00  0.00           I  
HETATM   25  C   UNL     1      -0.201  -2.922  -0.635  1.00  0.00           C  
HETATM   26  O   UNL     1       0.854  -2.202   0.055  1.00  0.00           O  
HETATM   27  C   UNL     1       2.110  -2.399  -0.377  1.00  0.00           C  
HETATM   28  O   UNL     1       2.320  -3.149  -1.301  1.00  0.00           O  
HETATM   29  C   UNL     1       3.257  -1.686   0.291  1.00  0.00           C  
HETATM   30  C   UNL     1       4.569  -2.083  -0.388  1.00  0.00           C  
HETATM   31  C   UNL     1       5.734  -1.359   0.290  1.00  0.00           C  
HETATM   32  C   UNL     1       7.046  -1.756  -0.389  1.00  0.00           C  
HETATM   33  C   UNL     1       8.211  -1.032   0.289  1.00  0.00           C  
HETATM   34  C   UNL     1       9.523  -1.429  -0.389  1.00  0.00           C  
HETATM   35  C   UNL     1      10.688  -0.705   0.289  1.00  0.00           C  
HETATM   36  C   UNL     1      12.000  -1.102  -0.390  1.00  0.00           C  
HETATM   37  C   UNL     1      13.165  -0.378   0.288  1.00  0.00           C  
HETATM   38  C   UNL     1      14.477  -0.775  -0.391  1.00  0.00           C  
HETATM   39  C   UNL     1      15.642  -0.051   0.287  1.00  0.00           C  
HETATM   40  C   UNL     1      16.954  -0.449  -0.392  1.00  0.00           C  
HETATM   41  C   UNL     1      18.119   0.276   0.286  1.00  0.00           C  
HETATM   42  H   UNL     1      -5.830  -2.502  -1.979  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.198  -3.852  -0.364  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.671  -5.149   0.735  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.545  -3.977   1.765  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.065  -3.581   2.671  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.332  -2.401   0.059  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.542  -0.812  -0.086  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.696  -2.280  -0.632  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.296  -1.609   3.449  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.887  -0.427   2.256  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.677  -2.015   2.402  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.908  -1.590   0.662  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.701  -0.249   1.522  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.999  -1.603   2.440  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.388  -4.479  -0.563  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.743  -3.160  -1.704  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.518  -2.773   1.063  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.691   1.687   2.391  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.334   4.916   0.140  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.689   0.928  -1.328  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.026  -3.995  -0.548  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.205  -2.640  -1.688  1.00  0.00           H  
HETATM   64  H   UNL     1       3.115  -0.609   0.204  1.00  0.00           H  
HETATM   65  H   UNL     1       3.294  -1.964   1.344  1.00  0.00           H  
HETATM   66  H   UNL     1       4.711  -3.160  -0.301  1.00  0.00           H  
HETATM   67  H   UNL     1       4.532  -1.805  -1.441  1.00  0.00           H  
HETATM   68  H   UNL     1       5.592  -0.282   0.203  1.00  0.00           H  
HETATM   69  H   UNL     1       5.771  -1.637   1.343  1.00  0.00           H  
HETATM   70  H   UNL     1       7.188  -2.833  -0.302  1.00  0.00           H  
HETATM   71  H   UNL     1       7.009  -1.478  -1.442  1.00  0.00           H  
HETATM   72  H   UNL     1       8.069   0.045   0.203  1.00  0.00           H  
HETATM   73  H   UNL     1       8.248  -1.310   1.343  1.00  0.00           H  
HETATM   74  H   UNL     1       9.665  -2.507  -0.303  1.00  0.00           H  
HETATM   75  H   UNL     1       9.486  -1.151  -1.443  1.00  0.00           H  
HETATM   76  H   UNL     1      10.546   0.372   0.202  1.00  0.00           H  
HETATM   77  H   UNL     1      10.725  -0.983   1.342  1.00  0.00           H  
HETATM   78  H   UNL     1      12.142  -2.180  -0.303  1.00  0.00           H  
HETATM   79  H   UNL     1      11.963  -0.825  -1.443  1.00  0.00           H  
HETATM   80  H   UNL     1      13.023   0.699   0.201  1.00  0.00           H  
HETATM   81  H   UNL     1      13.202  -0.656   1.341  1.00  0.00           H  
HETATM   82  H   UNL     1      14.619  -1.853  -0.304  1.00  0.00           H  
HETATM   83  H   UNL     1      14.440  -0.498  -1.444  1.00  0.00           H  
HETATM   84  H   UNL     1      15.500   1.026   0.200  1.00  0.00           H  
HETATM   85  H   UNL     1      15.679  -0.329   1.340  1.00  0.00           H  
HETATM   86  H   UNL     1      17.096  -1.526  -0.305  1.00  0.00           H  
HETATM   87  H   UNL     1      16.917  -0.171  -1.445  1.00  0.00           H  
HETATM   88  H   UNL     1      17.977   1.353   0.199  1.00  0.00           H  
HETATM   89  H   UNL     1      18.156  -0.002   1.340  1.00  0.00           H  
HETATM   90  H   UNL     1      19.054  -0.007  -0.197  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   11    1    1    3                                       
CONECT    2    4                                                      
CONECT    3    2   42                                                 
CONECT    4    2    5                                                 
CONECT    5    4    6   43   44                                       
CONECT    6    5    7   45   46                                       
CONECT    7   10    6    8    9                                       
CONECT    8    7   47   48   49                                       
CONECT    9    7   50   51   52                                       
CONECT   10    7   53   54   55                                       
CONECT   11   12    2                                                 
CONECT   12   13   11   56   57                                       
CONECT   13   14   25   12   58                                       
CONECT   14   15   13                                                 
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   18   22   15                                       
CONECT   18   19   17   17   59                                       
CONECT   19   20   21   21   18                                       
CONECT   20   19                                                      
CONECT   21   19   19   23   60                                       
CONECT   22   23   23   17   61                                       
CONECT   23   21   24   22   22                                       
CONECT   24   23                                                      
CONECT   25   26   13   62   63                                       
CONECT   26   27   25                                                 
CONECT   27   29   28   28   26                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   64   65                                       
CONECT   30   31   29   66   67                                       
CONECT   31   32   30   68   69                                       
CONECT   32   33   31   70   71                                       
CONECT   33   34   32   72   73                                       
CONECT   34   35   33   74   75                                       
CONECT   35   36   34   76   77                                       
CONECT   36   37   35   78   79                                       
CONECT   37   38   36   80   81                                       
CONECT   38   39   37   82   83                                       
CONECT   39   40   38   84   85                                       
CONECT   40   41   39   86   87                                       
CONECT   41   40   88   89   90                                       
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   18                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
