COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.034  -1.968   0.510  1.00  0.00           C  
HETATM    2  C   UNL     1       3.033  -3.676   0.138  1.00  0.00           C  
HETATM    3  C   UNL     1       3.723  -4.786   0.588  1.00  0.00           C  
HETATM    4  C   UNL     1       4.500  -5.520  -0.289  1.00  0.00           C  
HETATM    5  C   UNL     1       4.586  -5.144  -1.616  1.00  0.00           C  
HETATM    6  C   UNL     1       3.895  -4.035  -2.067  1.00  0.00           C  
HETATM    7  C   UNL     1       3.120  -3.300  -1.190  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.404  -1.801   0.230  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.614  -2.732   0.083  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.107  -1.488  -0.295  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.247  -0.402  -0.415  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.243   1.474  -0.924  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.022   1.211  -0.041  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.454   1.162   1.426  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.421  -0.058  -0.411  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.091  -0.178  -0.236  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.451   0.751   0.214  1.00  0.00           O  
HETATM   18  N   UNL     1      -5.471  -1.330  -0.560  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.903  -0.554  -0.155  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.271  -2.892   0.345  1.00  0.00           C  
HETATM   21  N   UNL     1       0.919  -1.035   0.432  1.00  0.00           N  
HETATM   22  C   UNL     1       0.695  -3.258   0.939  1.00  0.00           C  
HETATM   23  C   UNL     1       2.182  -2.879   1.092  1.00  0.00           C  
HETATM   24  N   UNL     1       2.211  -1.449   0.748  1.00  0.00           N  
HETATM   25  C   UNL     1       3.309  -0.667   0.741  1.00  0.00           C  
HETATM   26  O   UNL     1       4.404  -1.154   0.945  1.00  0.00           O  
HETATM   27  C   UNL     1       3.181   0.783   0.487  1.00  0.00           C  
HETATM   28  C   UNL     1       4.296   1.616   0.601  1.00  0.00           C  
HETATM   29  C   UNL     1       4.171   2.968   0.363  1.00  0.00           C  
HETATM   30  C   UNL     1       2.942   3.501   0.009  1.00  0.00           C  
HETATM   31 BR   UNL     1       2.779   5.356  -0.316  1.00  0.00          Br  
HETATM   32  C   UNL     1       1.833   2.680  -0.107  1.00  0.00           C  
HETATM   33  C   UNL     1       1.947   1.325   0.124  1.00  0.00           C  
HETATM   34  H   UNL     1       3.656  -5.079   1.625  1.00  0.00           H  
HETATM   35  H   UNL     1       5.039  -6.386   0.063  1.00  0.00           H  
HETATM   36  H   UNL     1       5.193  -5.717  -2.301  1.00  0.00           H  
HETATM   37  H   UNL     1       3.963  -3.741  -3.104  1.00  0.00           H  
HETATM   38  H   UNL     1       2.581  -2.433  -1.542  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.285  -3.573   0.175  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.634   0.562  -0.709  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.694   2.426  -0.646  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.935   1.509  -1.969  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.970   0.673  -0.786  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.295   2.012  -0.179  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.181   0.361   1.564  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.584   0.975   2.055  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.905   2.114   1.704  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.970  -2.050  -0.977  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.236   0.290  -0.248  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.888  -3.858   0.637  1.00  0.00           H  
HETATM   51  H   UNL     1       0.287  -3.599   1.890  1.00  0.00           H  
HETATM   52  H   UNL     1       0.573  -4.023   0.173  1.00  0.00           H  
HETATM   53  H   UNL     1       2.513  -3.033   2.120  1.00  0.00           H  
HETATM   54  H   UNL     1       5.255   1.202   0.877  1.00  0.00           H  
HETATM   55  H   UNL     1       5.032   3.613   0.452  1.00  0.00           H  
HETATM   56  H   UNL     1       0.878   3.101  -0.383  1.00  0.00           H  
HETATM   57  H   UNL     1       1.082   0.686   0.029  1.00  0.00           H  
CONECT    1    8   21   21   22                                       
CONECT    2    3    3    7   23                                       
CONECT    3    2    2    4   34                                       
CONECT    4    3    5    5   35                                       
CONECT    5    4    4    6   36                                       
CONECT    6    5    7    7   37                                       
CONECT    7    2    6    6   38                                       
CONECT    8    1   19   19   20                                       
CONECT    9   10   20   20   39                                       
CONECT   10    9   11   11   18                                       
CONECT   11   10   10   19   40                                       
CONECT   12   13   41   42   43                                       
CONECT   13   12   14   15   44                                       
CONECT   14   13   45   46   47                                       
CONECT   15   13   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   10   16   48                                            
CONECT   19    8    8   11   49                                       
CONECT   20    8    9    9   50                                       
CONECT   21    1    1   24                                            
CONECT   22    1   23   51   52                                       
CONECT   23    2   22   24   53                                       
CONECT   24   21   23   25                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   28   33                                       
CONECT   28   27   27   29   54                                       
CONECT   29   28   30   30   55                                       
CONECT   30   29   29   32   31                                       
CONECT   31   30                                                      
CONECT   32   30   33   33   56                                       
CONECT   33   27   32   32   57                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
