COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.413   1.522  -2.510  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.498   0.866  -1.474  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.943   1.921  -0.553  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.249   3.084  -0.709  1.00  0.00           O  
HETATM    5  N   UNL     1      -7.105   1.573   0.444  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.380   2.277   1.512  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.338   1.151   1.472  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.521   0.321   0.947  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.265   1.359   0.497  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.066   0.770   0.678  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.876   0.068   1.648  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.962   0.984  -0.325  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.770   0.243   0.095  1.00  0.00           N  
HETATM   14  C   UNL     1       0.254   0.768   0.810  1.00  0.00           C  
HETATM   15  C   UNL     1       1.200  -0.189   1.031  1.00  0.00           C  
HETATM   16  C   UNL     1       2.462  -0.024   1.765  1.00  0.00           C  
HETATM   17  O   UNL     1       2.823  -0.878   2.554  1.00  0.00           O  
HETATM   18  N   UNL     1       3.220   1.072   1.566  1.00  0.00           N  
HETATM   19  C   UNL     1       4.534   1.223   2.213  1.00  0.00           C  
HETATM   20  C   UNL     1       5.597   1.246   1.116  1.00  0.00           C  
HETATM   21  C   UNL     1       5.205   2.189   0.009  1.00  0.00           C  
HETATM   22  C   UNL     1       6.214   2.653  -0.834  1.00  0.00           C  
HETATM   23  O   UNL     1       7.498   2.258  -0.630  1.00  0.00           O  
HETATM   24  C   UNL     1       8.485   2.770  -1.527  1.00  0.00           C  
HETATM   25  C   UNL     1       5.918   3.515  -1.876  1.00  0.00           C  
HETATM   26  C   UNL     1       4.612   3.916  -2.084  1.00  0.00           C  
HETATM   27  C   UNL     1       3.614   3.458  -1.249  1.00  0.00           C  
HETATM   28  C   UNL     1       3.908   2.599  -0.198  1.00  0.00           C  
HETATM   29  C   UNL     1       2.771   2.161   0.691  1.00  0.00           C  
HETATM   30  C   UNL     1       0.708  -1.421   0.388  1.00  0.00           C  
HETATM   31  C   UNL     1       1.208  -2.714   0.265  1.00  0.00           C  
HETATM   32  C   UNL     1       0.480  -3.665  -0.419  1.00  0.00           C  
HETATM   33 BR   UNL     1       1.154  -5.423  -0.589  1.00  0.00          Br  
HETATM   34  C   UNL     1      -0.745  -3.337  -0.983  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.251  -2.060  -0.869  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.535  -1.089  -0.177  1.00  0.00           C  
HETATM   37  H   UNL     1      -8.843   2.248  -3.090  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.814   0.759  -3.176  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.233   2.028  -2.000  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.067   0.140  -0.894  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.677   0.360  -1.984  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.984   3.245   1.203  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.931   2.327   2.451  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.975   0.843   2.453  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.109  -0.146   1.738  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.246  -0.378   0.157  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.417   1.921  -0.279  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.286   0.628  -1.303  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.727   2.047  -0.385  1.00  0.00           H  
HETATM   50  H   UNL     1       0.312   1.790   1.153  1.00  0.00           H  
HETATM   51  H   UNL     1       4.564   2.156   2.775  1.00  0.00           H  
HETATM   52  H   UNL     1       4.713   0.382   2.883  1.00  0.00           H  
HETATM   53  H   UNL     1       6.546   1.570   1.543  1.00  0.00           H  
HETATM   54  H   UNL     1       5.713   0.242   0.707  1.00  0.00           H  
HETATM   55  H   UNL     1       9.465   2.377  -1.253  1.00  0.00           H  
HETATM   56  H   UNL     1       8.243   2.465  -2.546  1.00  0.00           H  
HETATM   57  H   UNL     1       8.501   3.858  -1.467  1.00  0.00           H  
HETATM   58  H   UNL     1       6.705   3.872  -2.523  1.00  0.00           H  
HETATM   59  H   UNL     1       4.374   4.585  -2.897  1.00  0.00           H  
HETATM   60  H   UNL     1       2.593   3.772  -1.413  1.00  0.00           H  
HETATM   61  H   UNL     1       1.945   1.811   0.072  1.00  0.00           H  
HETATM   62  H   UNL     1       2.438   3.001   1.300  1.00  0.00           H  
HETATM   63  H   UNL     1       2.161  -2.971   0.702  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.306  -4.089  -1.517  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.205  -1.815  -1.312  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    8    3    6                                            
CONECT    6    5    7   42   43                                       
CONECT    7    8    6    9   44                                       
CONECT    8    5    7   45   46                                       
CONECT    9    7   10   47                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   48   49                                       
CONECT   13   12   14   36                                            
CONECT   14   13   15   15   50                                       
CONECT   15   14   14   16   30                                       
CONECT   16   18   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   19   29   16                                            
CONECT   19   20   18   51   52                                       
CONECT   20   21   19   53   54                                       
CONECT   21   22   20   28   28                                       
CONECT   22   23   25   25   21                                       
CONECT   23   24   22                                                 
CONECT   24   23   55   56   57                                       
CONECT   25   22   22   26   58                                       
CONECT   26   25   27   27   59                                       
CONECT   27   26   26   28   60                                       
CONECT   28   21   21   27   29                                       
CONECT   29   28   18   61   62                                       
CONECT   30   36   15   31   31                                       
CONECT   31   30   30   32   63                                       
CONECT   32   34   34   31   33                                       
CONECT   33   32                                                      
CONECT   34   35   32   32   64                                       
CONECT   35   36   36   34   65                                       
CONECT   36   13   35   35   30                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
