COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.065   0.259  -6.672  1.00  0.00           C  
HETATM    2  C   UNL     1       1.231  -0.077  -7.342  1.00  0.00           C  
HETATM    3  C   UNL     1       2.396  -0.319  -6.644  1.00  0.00           C  
HETATM    4  C   UNL     1       2.418  -0.229  -5.255  1.00  0.00           C  
HETATM    5  C   UNL     1       1.248   0.210  -3.095  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.100   0.070  -1.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.314  -0.107   1.158  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.609   0.393   1.793  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.789  -0.207   1.020  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.835   0.438  -0.362  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.441   0.559  -2.416  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.171   0.712  -4.556  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.600  -1.696   0.880  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.053  -2.620   1.980  1.00  0.00           C  
HETATM   15  C   UNL     1       0.064   0.354  -5.286  1.00  0.00           C  
HETATM   16  C   UNL     1       1.249   0.103  -4.567  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.039   0.263  -2.379  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.228   0.509  -3.097  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.485   0.363  -1.029  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.329   0.119  -0.331  1.00  0.00           C  
HETATM   21  C   UNL     1       4.565  -0.784  -5.546  1.00  0.00           C  
HETATM   22  O   UNL     1       3.566  -0.468  -4.574  1.00  0.00           O  
HETATM   23  O   UNL     1       2.296   0.249  -2.479  1.00  0.00           O  
HETATM   24  O   UNL     1       1.038  -0.167  -0.305  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.207   0.594   1.729  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.007   0.059   1.717  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.588   0.799  -3.098  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.128   1.167  -5.153  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.085  -2.148  -0.114  1.00  0.00           O  
HETATM   30  C   UNL     1       0.516  -0.349   2.520  1.00  0.00           C  
HETATM   31  C   UNL     1       1.874   0.243   2.903  1.00  0.00           C  
HETATM   32  C   UNL     1       1.651   1.543   3.681  1.00  0.00           C  
HETATM   33  C   UNL     1       0.711   1.255   4.857  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.559   0.586   4.327  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.518   0.325   5.491  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.228  -0.650   3.699  1.00  0.00           O  
HETATM   37  O   UNL     1       0.369   2.479   5.510  1.00  0.00           O  
HETATM   38  N   UNL     1       2.935   2.045   4.189  1.00  0.00           N  
HETATM   39 BR   UNL     1       2.859  -1.034   4.027  1.00  0.00          Br  
HETATM   40  H   UNL     1      -0.841   0.448  -7.227  1.00  0.00           H  
HETATM   41  H   UNL     1       1.227  -0.150  -8.419  1.00  0.00           H  
HETATM   42  H   UNL     1       3.298  -0.580  -7.179  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.204  -1.173   1.358  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.649   1.480   1.737  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.653   0.076   2.835  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.128   1.483  -0.260  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.569  -0.082  -0.977  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.835  -3.651   1.701  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.526  -2.374   2.902  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.126  -2.504   2.133  1.00  0.00           H  
HETATM   51  H   UNL     1       5.510  -0.985  -5.043  1.00  0.00           H  
HETATM   52  H   UNL     1       4.258  -1.666  -6.109  1.00  0.00           H  
HETATM   53  H   UNL     1       4.687   0.056  -6.228  1.00  0.00           H  
HETATM   54  H   UNL     1       1.139  -1.127  -0.253  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.722  -0.319   1.187  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.936  -0.061  -3.371  1.00  0.00           H  
HETATM   57  H   UNL     1       0.669  -1.263   1.945  1.00  0.00           H  
HETATM   58  H   UNL     1       2.447   0.452   2.000  1.00  0.00           H  
HETATM   59  H   UNL     1       1.200   2.289   3.027  1.00  0.00           H  
HETATM   60  H   UNL     1       1.205   0.589   5.565  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.039   1.243   3.603  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.425  -0.146   5.115  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.039  -0.334   6.215  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.771   1.269   5.972  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.226   2.252   6.237  1.00  0.00           H  
HETATM   66  H   UNL     1       3.517   2.219   3.383  1.00  0.00           H  
HETATM   67  H   UNL     1       2.749   2.942   4.612  1.00  0.00           H  
CONECT    1    2    2   15   40                                       
CONECT    2    1    1    3   41                                       
CONECT    3    2    4    4   42                                       
CONECT    4    3    3   16   22                                       
CONECT    5   16   17   23   23                                       
CONECT    6   17   17   20   24                                       
CONECT    7    8   20   25   43                                       
CONECT    8    7    9   44   45                                       
CONECT    9    8   10   13   26                                       
CONECT   10    9   19   46   47                                       
CONECT   11   18   18   19   27                                       
CONECT   12   15   18   28   28                                       
CONECT   13    9   14   29   29                                       
CONECT   14   13   48   49   50                                       
CONECT   15    1   12   16   16                                       
CONECT   16    4    5   15   15                                       
CONECT   17    5    6    6   18                                       
CONECT   18   11   11   12   17                                       
CONECT   19   10   11   20   20                                       
CONECT   20    6    7   19   19                                       
CONECT   21   22   51   52   53                                       
CONECT   22    4   21                                                 
CONECT   23    5    5                                                 
CONECT   24    6   54                                                 
CONECT   25    7   30                                                 
CONECT   26    9   55                                                 
CONECT   27   11   56                                                 
CONECT   28   12   12                                                 
CONECT   29   13   13                                                 
CONECT   30   25   31   36   57                                       
CONECT   31   30   32   39   58                                       
CONECT   32   31   33   38   59                                       
CONECT   33   32   34   37   60                                       
CONECT   34   33   35   36   61                                       
CONECT   35   34   62   63   64                                       
CONECT   36   30   34                                                 
CONECT   37   33   65                                                 
CONECT   38   32   66   67                                            
CONECT   39   31                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
