COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.275   1.467  -0.198  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.498   0.729   0.969  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.407   0.258   1.706  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.124   0.522   1.281  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.909   1.259   0.116  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.997   1.729  -0.622  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.636   1.814  -0.749  1.00  0.00           C  
HETATM    8  N   UNL     1     -12.614   1.229   0.176  1.00  0.00           N  
HETATM    9  C   UNL     1     -11.954   0.608   1.169  1.00  0.00           C  
HETATM   10  O   UNL     1     -12.482   0.024   2.095  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.525   1.541  -0.337  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.438   1.067   0.395  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.153   1.332  -0.033  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.943   2.068  -1.186  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.018   2.542  -1.916  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.308   2.277  -1.501  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.977   0.821   0.758  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.602  -0.509   0.271  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.622  -0.644  -0.810  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.209  -0.604  -0.225  1.00  0.00           C  
HETATM   21  C   UNL     1       0.814  -0.745  -1.353  1.00  0.00           C  
HETATM   22  C   UNL     1       2.227  -0.706  -0.768  1.00  0.00           C  
HETATM   23  C   UNL     1       3.251  -0.847  -1.896  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.159  -1.608   0.817  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.696  -2.978   0.392  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.034  -1.495   1.649  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.253  -3.297  -0.997  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.728  -4.659  -1.456  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.680  -3.330  -0.942  1.00  0.00           O  
HETATM   30  N   UNL     1      -3.178  -3.978   1.354  1.00  0.00           N  
HETATM   31  N   UNL     1       4.604  -0.808  -1.336  1.00  0.00           N  
HETATM   32  C   UNL     1       5.241   0.378  -1.202  1.00  0.00           C  
HETATM   33  C   UNL     1       6.595   0.359  -0.628  1.00  0.00           C  
HETATM   34  C   UNL     1       7.139  -0.890  -0.256  1.00  0.00           C  
HETATM   35  N   UNL     1       6.399  -2.012  -0.440  1.00  0.00           N  
HETATM   36  C   UNL     1       5.206  -1.964  -0.950  1.00  0.00           C  
HETATM   37  C   UNL     1       7.335   1.526  -0.449  1.00  0.00           C  
HETATM   38  C   UNL     1       8.600   1.451   0.093  1.00  0.00           C  
HETATM   39  C   UNL     1       9.139   0.222   0.461  1.00  0.00           C  
HETATM   40  C   UNL     1       8.422  -0.942   0.292  1.00  0.00           C  
HETATM   41 BR   UNL     1      10.878   0.149   1.202  1.00  0.00          Br  
HETATM   42 CL   UNL     1       9.528   2.900   0.319  1.00  0.00          Cl  
HETATM   43  O   UNL     1       4.714   1.421  -1.544  1.00  0.00           O  
HETATM   44  H   UNL     1      -9.571  -0.312   2.609  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.283   0.158   1.852  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.832   2.299  -1.524  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.762   2.895  -0.792  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.601   0.493   1.295  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.936   2.273  -1.516  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.848   3.116  -2.815  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.146   2.644  -2.074  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.135   1.502   0.638  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.247   0.759   1.812  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.776  -1.593  -1.323  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.746   0.176  -1.517  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.055   0.345   0.289  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.086  -1.424   0.483  1.00  0.00           H  
HETATM   58  H   UNL     1       0.660  -1.694  -1.867  1.00  0.00           H  
HETATM   59  H   UNL     1       0.691   0.075  -2.060  1.00  0.00           H  
HETATM   60  H   UNL     1       2.381   0.243  -0.254  1.00  0.00           H  
HETATM   61  H   UNL     1       2.351  -1.526  -0.060  1.00  0.00           H  
HETATM   62  H   UNL     1       3.097  -1.796  -2.410  1.00  0.00           H  
HETATM   63  H   UNL     1       3.127  -0.027  -2.603  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.607  -2.999   0.361  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.934  -2.529  -1.701  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.047  -5.427  -0.752  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.125  -4.886  -2.446  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.639  -4.633  -1.498  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.035  -3.993  -0.333  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.186  -3.978   1.402  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.827  -4.896   1.128  1.00  0.00           H  
HETATM   72  H   UNL     1       4.662  -2.889  -1.069  1.00  0.00           H  
HETATM   73  H   UNL     1       6.921   2.482  -0.734  1.00  0.00           H  
HETATM   74  H   UNL     1       8.851  -1.890   0.581  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.578   1.284   0.087  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.755   1.382  -1.742  1.00  0.00           H  
CONECT    1    7    6    6    2                                       
CONECT    2    1    9    3    3                                       
CONECT    3    2    2    4   44                                       
CONECT    4    5    5    3   45                                       
CONECT    5    6   11    4    4                                       
CONECT    6    1    1    5   46                                       
CONECT    7    8    1   47   76                                       
CONECT    8    7    9   75                                            
CONECT    9    8    2   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   12    5   16   16                                       
CONECT   12   13   13   11   48                                       
CONECT   13   17   12   12   14                                       
CONECT   14   13   15   15   49                                       
CONECT   15   14   14   16   50                                       
CONECT   16   11   11   15   51                                       
CONECT   17   18   13   52   53                                       
CONECT   18   24   17   19                                            
CONECT   19   18   20   54   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21   20   22   58   59                                       
CONECT   22   21   23   60   61                                       
CONECT   23   31   22   62   63                                       
CONECT   24   26   26   25   18                                       
CONECT   25   30   27   24   64                                       
CONECT   26   24   24                                                 
CONECT   27   29   25   28   65                                       
CONECT   28   27   66   67   68                                       
CONECT   29   27   69                                                 
CONECT   30   25   70   71                                            
CONECT   31   32   36   23                                            
CONECT   32   33   43   43   31                                       
CONECT   33   37   34   34   32                                       
CONECT   34   33   33   40   35                                       
CONECT   35   34   36   36                                            
CONECT   36   35   35   31   72                                       
CONECT   37   38   38   33   73                                       
CONECT   38   42   37   37   39                                       
CONECT   39   41   38   40   40                                       
CONECT   40   39   39   34   74                                       
CONECT   41   39                                                      
CONECT   42   38                                                      
CONECT   43   32   32                                                 
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   40                                                      
CONECT   75    8                                                      
CONECT   76    7                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
