COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.097  -1.863  -0.525  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.260  -0.664  -0.445  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.503  -0.147  -0.495  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.725   1.305  -0.407  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.787   1.568   0.666  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.939   0.766   0.395  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.696  -0.642   0.445  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.680  -1.018  -0.645  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.071   0.248  -0.285  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.789  -0.586  -0.251  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.600   0.326  -0.091  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.762   1.525  -0.012  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.356  -0.191  -0.036  1.00  0.00           N  
HETATM   14  C   UNL     1       0.750   0.656  -0.007  1.00  0.00           C  
HETATM   15  C   UNL     1       0.661   1.937  -0.535  1.00  0.00           C  
HETATM   16  C   UNL     1       1.757   2.775  -0.506  1.00  0.00           C  
HETATM   17  C   UNL     1       2.953   2.346   0.049  1.00  0.00           C  
HETATM   18 BR   UNL     1       4.446   3.507   0.082  1.00  0.00          Br  
HETATM   19  C   UNL     1       3.059   1.077   0.578  1.00  0.00           C  
HETATM   20  C   UNL     1       1.956   0.220   0.560  1.00  0.00           C  
HETATM   21  C   UNL     1       2.061  -1.137   1.129  1.00  0.00           C  
HETATM   22  O   UNL     1       1.274  -1.502   1.981  1.00  0.00           O  
HETATM   23  N   UNL     1       3.030  -1.972   0.705  1.00  0.00           N  
HETATM   24  C   UNL     1       3.918  -1.589  -0.401  1.00  0.00           C  
HETATM   25  C   UNL     1       3.882  -2.689  -1.467  1.00  0.00           C  
HETATM   26  C   UNL     1       4.903  -2.372  -2.562  1.00  0.00           C  
HETATM   27  C   UNL     1       4.229  -4.032  -0.819  1.00  0.00           C  
HETATM   28  C   UNL     1       3.221  -3.282   1.343  1.00  0.00           C  
HETATM   29  C   UNL     1       3.190  -4.365   0.254  1.00  0.00           C  
HETATM   30  C   UNL     1       3.518  -5.723   0.877  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.794   1.802  -0.132  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.072   1.683  -1.369  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.386   1.310   1.646  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.066   2.622   0.652  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.299  -0.908   1.424  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.629  -1.179   0.272  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.123  -0.871  -1.630  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.383  -2.060  -0.528  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.030   0.943  -1.124  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.165   0.808   0.645  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.829  -1.281   0.588  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.695  -1.145  -1.182  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.231  -1.153  -0.016  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.267   2.278  -0.970  1.00  0.00           H  
HETATM   45  H   UNL     1       1.683   3.770  -0.917  1.00  0.00           H  
HETATM   46  H   UNL     1       3.993   0.747   1.009  1.00  0.00           H  
HETATM   47  H   UNL     1       3.577  -0.649  -0.835  1.00  0.00           H  
HETATM   48  H   UNL     1       4.936  -1.473  -0.029  1.00  0.00           H  
HETATM   49  H   UNL     1       2.885  -2.741  -1.902  1.00  0.00           H  
HETATM   50  H   UNL     1       5.900  -2.321  -2.125  1.00  0.00           H  
HETATM   51  H   UNL     1       4.877  -3.155  -3.320  1.00  0.00           H  
HETATM   52  H   UNL     1       4.657  -1.414  -3.021  1.00  0.00           H  
HETATM   53  H   UNL     1       4.228  -4.812  -1.580  1.00  0.00           H  
HETATM   54  H   UNL     1       5.216  -3.971  -0.363  1.00  0.00           H  
HETATM   55  H   UNL     1       4.183  -3.302   1.854  1.00  0.00           H  
HETATM   56  H   UNL     1       2.420  -3.460   2.060  1.00  0.00           H  
HETATM   57  H   UNL     1       2.199  -4.402  -0.198  1.00  0.00           H  
HETATM   58  H   UNL     1       4.509  -5.685   1.330  1.00  0.00           H  
HETATM   59  H   UNL     1       2.778  -5.960   1.642  1.00  0.00           H  
HETATM   60  H   UNL     1       3.501  -6.492   0.105  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4    8                                            
CONECT    4    3    5   31   32                                       
CONECT    5    4    6   33   34                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   35   36                                       
CONECT    8    3    7   37   38                                       
CONECT    9    2   10   39   40                                       
CONECT   10    9   11   41   42                                       
CONECT   11   10   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   43                                            
CONECT   14   13   20   20   15                                       
CONECT   15   14   16   16   44                                       
CONECT   16   15   15   17   45                                       
CONECT   17   16   19   19   18                                       
CONECT   18   17                                                      
CONECT   19   17   17   20   46                                       
CONECT   20   14   14   19   21                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   28                                            
CONECT   24   23   25   47   48                                       
CONECT   25   24   26   27   49                                       
CONECT   26   25   50   51   52                                       
CONECT   27   25   29   53   54                                       
CONECT   28   23   29   55   56                                       
CONECT   29   27   28   30   57                                       
CONECT   30   29   58   59   60                                       
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   19                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
