COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.414  -1.667  -0.486  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.389  -1.043  -0.294  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.445   0.273  -0.005  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.741   0.950   0.078  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.315   0.769   1.459  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.667   0.530   1.621  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.193   0.364   2.888  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.367   0.437   3.994  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.015   0.676   3.833  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.488   0.837   2.565  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.557   2.442  -0.207  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.888   2.614  -1.504  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.478   4.020  -1.706  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.617   4.319  -3.210  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.158   3.012  -3.833  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.809   2.295  -2.624  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.196  -1.667  -0.365  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.972  -3.084  -0.662  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.950  -4.149  -0.162  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.869  -3.825  -1.655  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.879  -1.053  -0.167  1.00  0.00           C  
HETATM   22  C   UNL     1       0.160  -2.130  -0.342  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.486  -3.333  -0.635  1.00  0.00           C  
HETATM   24  N   UNL     1       0.424  -4.263  -0.789  1.00  0.00           N  
HETATM   25  C   UNL     1       1.502  -2.368  -0.324  1.00  0.00           C  
HETATM   26  N   UNL     1       1.685  -3.686  -0.595  1.00  0.00           N  
HETATM   27  N   UNL     1       2.502  -1.431  -0.073  1.00  0.00           N  
HETATM   28  C   UNL     1       3.796  -1.807  -0.086  1.00  0.00           C  
HETATM   29  O   UNL     1       4.088  -2.981  -0.223  1.00  0.00           O  
HETATM   30  C   UNL     1       4.854  -0.802   0.063  1.00  0.00           C  
HETATM   31  N   UNL     1       6.208  -1.026  -0.034  1.00  0.00           N  
HETATM   32  C   UNL     1       6.844  -2.317  -0.306  1.00  0.00           C  
HETATM   33  C   UNL     1       6.857   0.149   0.165  1.00  0.00           C  
HETATM   34  C   UNL     1       5.941   1.122   0.387  1.00  0.00           C  
HETATM   35 BR   UNL     1       6.314   2.946   0.720  1.00  0.00          Br  
HETATM   36  C   UNL     1       4.671   0.540   0.320  1.00  0.00           C  
HETATM   37  H   UNL     1      -2.627   0.771   0.148  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.423   0.521  -0.658  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.531   2.930  -0.233  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.947   2.889   0.578  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.312   0.473   0.757  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.431   1.019   2.439  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.249   0.178   3.014  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.778   0.309   4.985  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.370   0.733   4.697  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.128   4.682  -1.134  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.442   4.154  -1.395  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.852   1.219  -2.793  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.804   2.696  -2.430  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.323   5.135  -3.370  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.646   4.569  -3.638  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.902   3.229  -4.600  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.343   2.414  -4.243  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.724  -0.266  -0.904  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.814  -0.637   0.839  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.532  -5.100   0.169  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.832  -3.809   0.380  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.698  -3.270  -2.095  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.398  -4.561  -2.306  1.00  0.00           H  
HETATM   60  H   UNL     1       2.538  -4.145  -0.648  1.00  0.00           H  
HETATM   61  H   UNL     1       2.267  -0.509   0.112  1.00  0.00           H  
HETATM   62  H   UNL     1       3.726   1.046   0.449  1.00  0.00           H  
HETATM   63  H   UNL     1       7.037  -2.409  -1.375  1.00  0.00           H  
HETATM   64  H   UNL     1       7.785  -2.382   0.240  1.00  0.00           H  
HETATM   65  H   UNL     1       6.182  -3.122   0.014  1.00  0.00           H  
HETATM   66  H   UNL     1       7.928   0.285   0.148  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   17                                       
CONECT    3    2    4   37                                            
CONECT    4    3    5   11   38                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   41                                       
CONECT    7    6    6    8   43                                       
CONECT    8    7    9    9   44                                       
CONECT    9    8    8   10   45                                       
CONECT   10    5    5    9   42                                       
CONECT   11    4   12   39   40                                       
CONECT   12   11   13   16                                            
CONECT   13   12   14   46   47                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   12   15   48   49                                       
CONECT   17    2   18   21                                            
CONECT   18   17   19   20   23                                       
CONECT   19   18   20   56   57                                       
CONECT   20   18   19   58   59                                       
CONECT   21   17   22   54   55                                       
CONECT   22   21   23   25   25                                       
CONECT   23   18   22   24   24                                       
CONECT   24   23   23   26                                            
CONECT   25   22   22   26   27                                       
CONECT   26   24   25   60                                            
CONECT   27   25   28   61                                            
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   36   36                                       
CONECT   31   30   32   33                                            
CONECT   32   31   63   64   65                                       
CONECT   33   31   34   34   66                                       
CONECT   34   33   33   35   36                                       
CONECT   35   34                                                      
CONECT   36   30   30   34   62                                       
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41    6                                                      
CONECT   42   10                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   36                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
