COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.215   1.195  -0.688  1.00  0.00           C  
HETATM    2  C   UNL     1       0.027   1.309   0.198  1.00  0.00           C  
HETATM    3  C   UNL     1       4.748   0.196  -0.123  1.00  0.00           C  
HETATM    4  C   UNL     1       3.602   0.651  -0.769  1.00  0.00           C  
HETATM    5  C   UNL     1       3.609   0.718  -2.163  1.00  0.00           C  
HETATM    6  C   UNL     1       4.741   0.334  -2.849  1.00  0.00           C  
HETATM    7  C   UNL     1       5.850  -0.167  -0.885  1.00  0.00           C  
HETATM    8  C   UNL     1       8.721  -0.784   1.096  1.00  0.00           C  
HETATM    9  C   UNL     1       7.659  -0.013   0.795  1.00  0.00           C  
HETATM   10  C   UNL     1       7.365  -2.731  -1.639  1.00  0.00           C  
HETATM   11  N   UNL     1       8.730  -1.831   0.258  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.379   4.584   0.920  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.087   3.084   0.997  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.859   2.769   0.182  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.409   1.501   0.103  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.741   0.139   2.085  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.402  -1.521   2.103  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.761  -1.227   0.864  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.972  -3.105  -1.168  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.770  -2.530  -0.981  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.516  -1.718   2.132  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.030  -2.181   0.782  1.00  0.00           C  
HETATM   23  O   UNL     1       1.148   0.707  -1.790  1.00  0.00           O  
HETATM   24  C   UNL     1       1.255   0.994  -0.616  1.00  0.00           C  
HETATM   25  N   UNL     1       2.473   1.031  -0.040  1.00  0.00           N  
HETATM   26 BR   UNL     1       4.806   0.082   1.763  1.00  0.00          Br  
HETATM   27  N   UNL     1       5.812  -0.093  -2.206  1.00  0.00           N  
HETATM   28  N   UNL     1       7.011  -0.620  -0.250  1.00  0.00           N  
HETATM   29  C   UNL     1       7.710  -1.746  -0.552  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.274   3.657  -0.402  1.00  0.00           O  
HETATM   31 BR   UNL     1      -4.624   0.185  -1.617  1.00  0.00          Br  
HETATM   32  C   UNL     1      -4.111  -0.226   0.156  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.082   0.479   0.776  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.428  -0.876   2.717  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.800  -1.940   0.257  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.722  -2.873  -0.080  1.00  0.00           N  
HETATM   37  H   UNL     1      -1.137   1.900  -1.515  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.290   0.181  -1.081  1.00  0.00           H  
HETATM   39  H   UNL     1       0.101   2.323   0.591  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.051   0.603   1.025  1.00  0.00           H  
HETATM   41  H   UNL     1       2.737   1.066  -2.697  1.00  0.00           H  
HETATM   42  H   UNL     1       4.753   0.384  -3.928  1.00  0.00           H  
HETATM   43  H   UNL     1       9.444  -0.590   1.874  1.00  0.00           H  
HETATM   44  H   UNL     1       7.373   0.907   1.283  1.00  0.00           H  
HETATM   45  H   UNL     1       7.855  -2.434  -2.567  1.00  0.00           H  
HETATM   46  H   UNL     1       7.706  -3.725  -1.350  1.00  0.00           H  
HETATM   47  H   UNL     1       6.285  -2.745  -1.787  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.529   5.140   1.315  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.549   4.869  -0.119  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.267   4.812   1.509  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.917   2.800   2.035  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.937   2.528   0.602  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.945   0.661   2.595  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.282  -3.655  -2.045  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.941  -2.532  -1.673  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.290  -2.478   2.880  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.018  -0.786   2.398  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.594  -1.556   2.094  1.00  0.00           H  
HETATM   59  H   UNL     1       2.566   1.322   0.880  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.164  -1.147   3.729  1.00  0.00           H  
CONECT    1   15    2   37   38                                       
CONECT    2    1   24   39   40                                       
CONECT    3    4    4    7   26                                       
CONECT    4    5   25    3    3                                       
CONECT    5    6    6    4   41                                       
CONECT    6    5    5   27   42                                       
CONECT    7   27   27    3   28                                       
CONECT    8    9    9   11   43                                       
CONECT    9   28    8    8   44                                       
CONECT   10   29   45   46   47                                       
CONECT   11   29   29    8                                            
CONECT   12   13   48   49   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14   30   30   13   15                                       
CONECT   15   14    1   33                                            
CONECT   16   33   34   34   53                                       
CONECT   17   18   18   34                                            
CONECT   18   32   35   17   17                                       
CONECT   19   36   20   20   54                                       
CONECT   20   35   19   19   55                                       
CONECT   21   22   56   57   58                                       
CONECT   22   21   36   36   35                                       
CONECT   23   24   24                                                 
CONECT   24   23   23    2   25                                       
CONECT   25   24    4   59                                            
CONECT   26    3                                                      
CONECT   27    6    7    7                                            
CONECT   28    7   29    9                                            
CONECT   29   10   28   11   11                                       
CONECT   30   14   14                                                 
CONECT   31   32                                                      
CONECT   32   31   33   33   18                                       
CONECT   33   15   32   32   16                                       
CONECT   34   16   16   17   60                                       
CONECT   35   22   18   20                                            
CONECT   36   22   22   19                                            
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   25                                                      
CONECT   60   34                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
