COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.298   1.269   3.403  1.00  0.00           C  
HETATM    2  C   UNL     1       1.578   0.289  -1.242  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.270  -0.701  -0.289  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.686  -1.117  -1.551  1.00  0.00           C  
HETATM    5  C   UNL     1       0.102  -0.785  -2.647  1.00  0.00           C  
HETATM    6  C   UNL     1       2.117  -0.164  -7.188  1.00  0.00           C  
HETATM    7  C   UNL     1       1.106   0.687  -6.782  1.00  0.00           C  
HETATM    8  C   UNL     1       0.309   0.352  -5.704  1.00  0.00           C  
HETATM    9  C   UNL     1       0.532  -0.837  -5.021  1.00  0.00           C  
HETATM   10  C   UNL     1       2.336  -1.352  -6.513  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.650  -1.165  -3.647  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.498  -1.945  -4.128  1.00  0.00           C  
HETATM   13  C   UNL     1       1.547  -1.690  -5.432  1.00  0.00           C  
HETATM   14  C   UNL     1       2.980   0.200  -8.368  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.654  -0.491   2.084  1.00  0.00           C  
HETATM   16  N   UNL     1       1.219  -0.085  -2.452  1.00  0.00           N  
HETATM   17  N   UNL     1       0.856   0.000  -0.179  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.268  -1.176  -3.926  1.00  0.00           N  
HETATM   19 BR   UNL     1      -1.071   1.518  -5.149  1.00  0.00          Br  
HETATM   20  N   UNL     1      -3.539  -0.562  -3.276  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.022  -1.006   0.835  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.064   0.762   2.171  1.00  0.00           C  
HETATM   23  C   UNL     1       0.073   0.527   4.553  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.511  -0.727   4.466  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.879  -1.234   3.235  1.00  0.00           C  
HETATM   26  O   UNL     1       0.431   1.027   5.766  1.00  0.00           O  
HETATM   27  C   UNL     1       0.075   0.043   6.740  1.00  0.00           C  
HETATM   28  C   UNL     1       0.453   0.547   8.134  1.00  0.00           C  
HETATM   29  C   UNL     1       0.073  -0.506   9.177  1.00  0.00           C  
HETATM   30  N   UNL     1       0.410  -0.011  10.518  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.615   0.977  10.874  1.00  0.00           C  
HETATM   32  C   UNL     1       0.243  -1.143  11.440  1.00  0.00           C  
HETATM   33  O   UNL     1       1.861   0.785   8.190  1.00  0.00           O  
HETATM   34  H   UNL     1       0.757   2.245   3.472  1.00  0.00           H  
HETATM   35  H   UNL     1       2.490   0.855  -1.118  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.597  -1.683  -1.675  1.00  0.00           H  
HETATM   37  H   UNL     1       0.937   1.614  -7.310  1.00  0.00           H  
HETATM   38  H   UNL     1       3.126  -2.015  -6.833  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.622  -2.160  -5.190  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.437  -2.882  -3.574  1.00  0.00           H  
HETATM   41  H   UNL     1       1.720  -2.617  -4.905  1.00  0.00           H  
HETATM   42  H   UNL     1       2.531  -0.189  -9.281  1.00  0.00           H  
HETATM   43  H   UNL     1       3.060   1.285  -8.437  1.00  0.00           H  
HETATM   44  H   UNL     1       3.973  -0.229  -8.238  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.802  -1.577   0.756  1.00  0.00           H  
HETATM   46  H   UNL     1       0.110   1.340   1.276  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.685  -1.305   5.362  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.338  -2.209   3.168  1.00  0.00           H  
HETATM   49  H   UNL     1       0.609  -0.883   6.531  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.998  -0.137   6.698  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.080   1.474   8.343  1.00  0.00           H  
HETATM   52  H   UNL     1       0.622  -1.426   8.980  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.997  -0.703   9.121  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.408   1.376  11.867  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.604   1.789  10.147  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.596   0.501  10.871  1.00  0.00           H  
HETATM   57  H   UNL     1       0.938  -1.937  11.170  1.00  0.00           H  
HETATM   58  H   UNL     1       0.444  -0.814  12.459  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.778  -1.517  11.374  1.00  0.00           H  
HETATM   60  H   UNL     1       2.295  -0.057   8.000  1.00  0.00           H  
CONECT    1   22   22   23   34                                       
CONECT    2   16   16   17   35                                       
CONECT    3    4   17   17   21                                       
CONECT    4    3    5    5   36                                       
CONECT    5    4    4   16   18                                       
CONECT    6    7    7   10   14                                       
CONECT    7    6    6    8   37                                       
CONECT    8    7    9    9   19                                       
CONECT    9    8    8   13   18                                       
CONECT   10    6   13   13   38                                       
CONECT   11   12   20   20   20                                       
CONECT   12   11   18   39   40                                       
CONECT   13    9   10   10   41                                       
CONECT   14    6   42   43   44                                       
CONECT   15   21   22   25   25                                       
CONECT   16    2    2    5                                            
CONECT   17    2    3    3                                            
CONECT   18    5    9   12                                            
CONECT   19    8                                                      
CONECT   20   11   11   11                                            
CONECT   21    3   15   45                                            
CONECT   22    1    1   15   46                                       
CONECT   23    1   24   24   26                                       
CONECT   24   23   23   25   47                                       
CONECT   25   15   15   24   48                                       
CONECT   26   23   27                                                 
CONECT   27   26   28   49   50                                       
CONECT   28   27   29   33   51                                       
CONECT   29   28   30   52   53                                       
CONECT   30   29   31   32                                            
CONECT   31   30   54   55   56                                       
CONECT   32   30   57   58   59                                       
CONECT   33   28   60                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
