COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.685  -5.093  -0.371  1.00  0.00           C  
HETATM    2  C   UNL     1       3.447  -6.387  -0.668  1.00  0.00           C  
HETATM    3  O   UNL     1       4.056  -6.863   0.536  1.00  0.00           O  
HETATM    4  C   UNL     1       4.963  -5.930   1.130  1.00  0.00           C  
HETATM    5  C   UNL     1       4.216  -4.631   1.445  1.00  0.00           C  
HETATM    6  N   UNL     1       3.609  -4.109   0.212  1.00  0.00           N  
HETATM    7  C   UNL     1       2.929  -2.831   0.460  1.00  0.00           C  
HETATM    8  C   UNL     1       2.529  -2.198  -0.874  1.00  0.00           C  
HETATM    9  N   UNL     1       1.851  -0.924  -0.627  1.00  0.00           N  
HETATM   10  C   UNL     1       0.508  -0.766  -0.544  1.00  0.00           C  
HETATM   11  C   UNL     1       2.488   0.281  -0.441  1.00  0.00           C  
HETATM   12  C   UNL     1       3.827   0.661  -0.425  1.00  0.00           C  
HETATM   13  C   UNL     1       4.131   1.992  -0.203  1.00  0.00           C  
HETATM   14 BR   UNL     1       5.933   2.565  -0.171  1.00  0.00          Br  
HETATM   15  CA  UNL     1       3.095   2.911  -0.004  1.00  0.00           C  
HETATM   16  C   UNL     1       3.417   4.330   0.232  1.00  0.00           C  
HETATM   17  O   UNL     1       4.573   4.693   0.252  1.00  0.00           O  
HETATM   18  N   UNL     1       1.825   2.523  -0.024  1.00  0.00           N  
HETATM   19  C   UNL     1       1.495   1.261  -0.232  1.00  0.00           C  
HETATM   20  C   UNL     1       0.208   0.542  -0.300  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.132   1.122  -0.143  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.258   2.313   0.072  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.222   0.336  -0.237  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.484   0.863   0.016  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.587   0.021   0.021  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.613   2.162   0.256  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.782   2.713   0.501  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.944   1.941   0.520  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.215   2.544   0.786  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.224   3.023   0.998  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.845   0.554   0.275  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.973  -0.252   0.282  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.847  -1.689   0.026  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.229  -2.342   0.092  1.00  0.00           C  
HETATM   35  O   UNL     1      -9.045  -1.839  -0.968  1.00  0.00           O  
HETATM   36  C   UNL     1     -10.364  -2.387  -0.997  1.00  0.00           C  
HETATM   37  H   UNL     1       2.266  -4.696  -1.296  1.00  0.00           H  
HETATM   38  H   UNL     1       1.879  -5.299   0.334  1.00  0.00           H  
HETATM   39  H   UNL     1       2.754  -7.139  -1.047  1.00  0.00           H  
HETATM   40  H   UNL     1       4.217  -6.193  -1.414  1.00  0.00           H  
HETATM   41  H   UNL     1       5.366  -6.351   2.051  1.00  0.00           H  
HETATM   42  H   UNL     1       5.778  -5.723   0.436  1.00  0.00           H  
HETATM   43  H   UNL     1       3.435  -4.829   2.179  1.00  0.00           H  
HETATM   44  H   UNL     1       4.915  -3.897   1.845  1.00  0.00           H  
HETATM   45  H   UNL     1       2.037  -3.005   1.062  1.00  0.00           H  
HETATM   46  H   UNL     1       3.601  -2.159   0.993  1.00  0.00           H  
HETATM   47  H   UNL     1       3.421  -2.025  -1.476  1.00  0.00           H  
HETATM   48  H   UNL     1       1.856  -2.870  -1.408  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.218  -1.559  -0.654  1.00  0.00           H  
HETATM   50  H   UNL     1       4.610  -0.066  -0.581  1.00  0.00           H  
HETATM   51  H   UNL     1       2.623   5.045   0.387  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.127  -0.598  -0.481  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.470  -1.035  -0.171  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.843   3.775   0.691  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.845   0.134   0.458  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.418  -1.845  -0.965  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.197  -2.137   0.777  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.126  -3.422  -0.011  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.694  -2.111   1.050  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.919  -1.955  -1.829  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.305  -3.469  -1.122  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.874  -2.157  -0.061  1.00  0.00           H  
CONECT    1    6    2   37   38                                       
CONECT    2    1    3   39   40                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7    1                                            
CONECT    7    8    6   45   46                                       
CONECT    8    9    7   47   48                                       
CONECT    9   10   11    8                                            
CONECT   10   20   20    9   49                                       
CONECT   11   19    9   12   12                                       
CONECT   12   11   11   13   50                                       
CONECT   13   15   15   12   14                                       
CONECT   14   13                                                      
CONECT   15   18   16   13   13                                       
CONECT   16   17   17   15   51                                       
CONECT   17   16   16                                                 
CONECT   18   19   19   15                                            
CONECT   19   20   18   18   11                                       
CONECT   20   21   10   10   19                                       
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   52                                            
CONECT   24   25   25   26   23                                       
CONECT   25   31   24   24   53                                       
CONECT   26   27   27   24                                            
CONECT   27   28   26   26   54                                       
CONECT   28   29   31   31   27                                       
CONECT   29   30   30   30   28                                       
CONECT   30   29   29   29                                            
CONECT   31   32   28   28   25                                       
CONECT   32   33   31   55                                            
CONECT   33   34   32   56   57                                       
CONECT   34   35   33   58   59                                       
CONECT   35   36   34                                                 
CONECT   36   35   60   61   62                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   16                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
