COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.156   1.262   0.010  1.00  0.00           C  
HETATM    2  C   UNL     1       4.092   1.089   1.179  1.00  0.00           C  
HETATM    3  C   UNL     1       5.812  -0.268  -0.040  1.00  0.00           C  
HETATM    4  OXT UNL     1      -5.063   3.683   1.332  1.00  0.00           O  
HETATM    5  C   UNL     1       8.905  -1.592  -1.552  1.00  0.00           C  
HETATM    6  C   UNL     1       6.596  -1.576  -2.507  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.327   1.713   1.758  1.00  0.00           O  
HETATM    8  C   UNL     1       7.073  -2.853  -0.413  1.00  0.00           C  
HETATM    9  C   UNL     1       6.350   1.880   1.146  1.00  0.00           C  
HETATM   10  C   UNL     1       5.655   2.477   2.400  1.00  0.00           C  
HETATM   11  C   UNL     1       4.159   2.396   1.996  1.00  0.00           C  
HETATM   12  CA  UNL     1      -3.066   2.927   0.092  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.500   3.577  -1.223  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.655   2.774  -1.871  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.343   3.829  -2.772  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.281   5.130  -1.946  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.109   4.970  -0.961  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.280   2.664   0.946  1.00  0.00           C  
HETATM   19  O   UNL     1       3.602   1.485  -1.095  1.00  0.00           O  
HETATM   20  N   UNL     1       5.450   0.802   0.695  1.00  0.00           N  
HETATM   21  O   UNL     1       7.094  -0.418  -0.424  1.00  0.00           O  
HETATM   22  C   UNL     1       7.412  -1.594  -1.213  1.00  0.00           C  
HETATM   23  O   UNL     1       4.982  -1.097  -0.357  1.00  0.00           O  
HETATM   24  N   UNL     1       1.825   1.164   0.193  1.00  0.00           N  
HETATM   25  C   UNL     1       0.900   1.331  -0.937  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.022   0.110  -1.003  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.711  -0.078   0.350  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.496   1.163   0.691  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.385   1.661  -0.191  1.00  0.00           N  
HETATM   30  O   UNL     1      -4.548   1.535   1.284  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.645  -1.259   0.278  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.461  -1.561   1.353  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.318  -2.643   1.288  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.360  -3.424   0.147  1.00  0.00           C  
HETATM   35 BR   UNL     1      -4.533  -4.905   0.056  1.00  0.00          Br  
HETATM   36  C   UNL     1      -2.544  -3.121  -0.929  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.691  -2.036  -0.864  1.00  0.00           C  
HETATM   38  C   UNL     1       0.343  -0.328   1.431  1.00  0.00           C  
HETATM   39  C   UNL     1       1.270   0.883   1.524  1.00  0.00           C  
HETATM   40  H   UNL     1       3.745   0.273   1.814  1.00  0.00           H  
HETATM   41  HXT UNL     1      -5.830   3.465   1.879  1.00  0.00           H  
HETATM   42  H   UNL     1       9.147  -0.696  -2.122  1.00  0.00           H  
HETATM   43  H   UNL     1       9.486  -1.605  -0.631  1.00  0.00           H  
HETATM   44  H   UNL     1       9.143  -2.475  -2.145  1.00  0.00           H  
HETATM   45  H   UNL     1       5.533  -1.577  -2.266  1.00  0.00           H  
HETATM   46  H   UNL     1       6.838  -0.679  -3.077  1.00  0.00           H  
HETATM   47  H   UNL     1       6.835  -2.459  -3.100  1.00  0.00           H  
HETATM   48  H   UNL     1       7.312  -3.736  -1.006  1.00  0.00           H  
HETATM   49  H   UNL     1       7.655  -2.866   0.508  1.00  0.00           H  
HETATM   50  H   UNL     1       6.010  -2.854  -0.172  1.00  0.00           H  
HETATM   51  H   UNL     1       6.450   2.639   0.370  1.00  0.00           H  
HETATM   52  H   UNL     1       7.326   1.474   1.410  1.00  0.00           H  
HETATM   53  H   UNL     1       5.853   1.869   3.283  1.00  0.00           H  
HETATM   54  H   UNL     1       5.962   3.510   2.562  1.00  0.00           H  
HETATM   55  H   UNL     1       3.880   3.251   1.380  1.00  0.00           H  
HETATM   56  H   UNL     1       3.523   2.333   2.879  1.00  0.00           H  
HETATM   57  HA  UNL     1      -2.387   3.595   0.621  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.655   3.653  -1.907  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.265   1.950  -2.469  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.345   2.407  -1.110  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.796   3.945  -3.708  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.377   3.548  -2.968  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.102   5.982  -2.603  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.213   5.270  -1.399  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.473   5.032   0.064  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.363   5.744  -1.140  1.00  0.00           H  
HETATM   67  H   UNL     1       0.304   2.232  -0.792  1.00  0.00           H  
HETATM   68  H   UNL     1       1.467   1.411  -1.865  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.775   0.264  -1.777  1.00  0.00           H  
HETATM   70  H   UNL     1       0.565  -0.778  -1.239  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.573   1.182  -1.013  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.428  -0.952   2.244  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.954  -2.880   2.127  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.576  -3.731  -1.820  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.057  -1.796  -1.705  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.150  -0.484   2.390  1.00  0.00           H  
HETATM   77  H   UNL     1       0.927  -1.211   1.173  1.00  0.00           H  
HETATM   78  H   UNL     1       2.081   0.668   2.220  1.00  0.00           H  
HETATM   79  H   UNL     1       0.705   1.747   1.874  1.00  0.00           H  
CONECT    1    2   19   19   24                                       
CONECT    2   20   11    1   40                                       
CONECT    3   23   23   20   21                                       
CONECT    4   18   41                                                 
CONECT    5   22   42   43   44                                       
CONECT    6   22   45   46   47                                       
CONECT    7   28   28                                                 
CONECT    8   22   48   49   50                                       
CONECT    9   10   20   51   52                                       
CONECT   10    9   11   53   54                                       
CONECT   11   10    2   55   56                                       
CONECT   12   18   29   13   57                                       
CONECT   13   12   17   14   58                                       
CONECT   14   13   15   59   60                                       
CONECT   15   14   16   61   62                                       
CONECT   16   17   15   63   64                                       
CONECT   17   13   16   65   66                                       
CONECT   18   30   30    4   12                                       
CONECT   19    1    1                                                 
CONECT   20    9    3    2                                            
CONECT   21    3   22                                                 
CONECT   22    8   21    6    5                                       
CONECT   23    3    3                                                 
CONECT   24    1   25   39                                            
CONECT   25   24   26   67   68                                       
CONECT   26   25   27   69   70                                       
CONECT   27   26   38   28   31                                       
CONECT   28   27    7    7   29                                       
CONECT   29   28   12   71                                            
CONECT   30   18   18                                                 
CONECT   31   27   32   32   37                                       
CONECT   32   31   31   33   72                                       
CONECT   33   32   34   34   73                                       
CONECT   34   33   33   36   35                                       
CONECT   35   34                                                      
CONECT   36   37   37   34   74                                       
CONECT   37   31   36   36   75                                       
CONECT   38   39   27   76   77                                       
CONECT   39   24   38   78   79                                       
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   29                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
