COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.722   3.269  -0.065  1.00  0.00           C  
HETATM    2  C   UNL     1       3.241   3.332   0.117  1.00  0.00           C  
HETATM    3  C   UNL     1       3.767   1.946  -0.370  1.00  0.00           C  
HETATM    4  C   UNL     1       3.244   0.996   0.739  1.00  0.00           C  
HETATM    5  C   UNL     1       1.265   2.439   0.905  1.00  0.00           C  
HETATM    6  C   UNL     1       2.500   1.986   1.688  1.00  0.00           C  
HETATM    7  O   UNL     1       3.348   3.178   1.572  1.00  0.00           O  
HETATM    8  C   UNL     1       0.920   3.973  -1.082  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.135   2.051   1.154  1.00  0.00           C  
HETATM   10  C   UNL     1       0.001   4.952  -0.695  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.747   5.607  -1.650  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.588   5.295  -2.994  1.00  0.00           C  
HETATM   13  C   UNL     1       0.324   4.322  -3.383  1.00  0.00           C  
HETATM   14  C   UNL     1       1.080   3.666  -2.436  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.769   2.436   2.339  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.078   2.072   2.567  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.768   1.324   1.622  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.143   0.939   0.442  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.835   1.303   0.203  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.332   5.939  -3.931  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.059   0.967   1.851  1.00  0.00           O  
HETATM   22  S   UNL     1       4.619   0.184   1.599  1.00  0.00           S  
HETATM   23  O   UNL     1       4.136  -0.844   2.454  1.00  0.00           O  
HETATM   24  O   UNL     1       5.366  -0.562   0.502  1.00  0.00           O  
HETATM   25  O   UNL     1       5.553   1.147   2.066  1.00  0.00           O  
HETATM   26  H   UNL     1       3.731   4.209  -0.307  1.00  0.00           H  
HETATM   27  H   UNL     1       3.340   1.686  -1.339  1.00  0.00           H  
HETATM   28  H   UNL     1       4.856   1.935  -0.411  1.00  0.00           H  
HETATM   29  H   UNL     1       2.555   0.258   0.327  1.00  0.00           H  
HETATM   30  H   UNL     1       2.310   1.619   2.697  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.123   5.195   0.350  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.457   6.364  -1.352  1.00  0.00           H  
HETATM   33  H   UNL     1       0.444   4.083  -4.429  1.00  0.00           H  
HETATM   34  H   UNL     1       1.789   2.910  -2.739  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.233   3.017   3.075  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.568   2.368   3.483  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.683   0.358  -0.290  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.351   1.008  -0.716  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.174   5.508  -4.129  1.00  0.00           H  
HETATM   40  C   UNL     1       4.734  -1.684   0.068  1.00  0.00           C  
HETATM   41  C   UNL     1       3.845  -1.614  -0.995  1.00  0.00           C  
HETATM   42  C   UNL     1       3.204  -2.756  -1.435  1.00  0.00           C  
HETATM   43  C   UNL     1       3.448  -3.969  -0.816  1.00  0.00           C  
HETATM   44  C   UNL     1       4.334  -4.041   0.244  1.00  0.00           C  
HETATM   45  C   UNL     1       4.982  -2.903   0.683  1.00  0.00           C  
HETATM   46 BR   UNL     1       2.568  -5.530  -1.419  1.00  0.00          Br  
HETATM   47  C   UNL     1      -4.709   0.198   0.837  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.145  -0.106   1.270  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.841  -0.930   0.185  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.277  -1.234   0.618  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.973  -2.057  -0.467  1.00  0.00           C  
HETATM   52  C   UNL     1     -10.387  -2.357  -0.040  1.00  0.00           C  
HETATM   53  O   UNL     1     -10.796  -1.954   1.023  1.00  0.00           O  
HETATM   54  O   UNL     1     -11.193  -3.072  -0.841  1.00  0.00           O  
HETATM   55  H   UNL     1       3.654  -0.667  -1.478  1.00  0.00           H  
HETATM   56  H   UNL     1       2.512  -2.702  -2.262  1.00  0.00           H  
HETATM   57  H   UNL     1       4.523  -4.989   0.726  1.00  0.00           H  
HETATM   58  H   UNL     1       5.673  -2.960   1.510  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.723   0.763  -0.095  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.169  -0.737   0.688  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.131  -0.672   2.203  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.685   0.828   1.420  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.855  -0.365  -0.747  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.301  -1.865   0.035  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.263  -1.799   1.550  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.817  -0.299   0.768  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.987  -1.492  -1.399  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.433  -2.992  -0.617  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.091  -3.239  -0.525  1.00  0.00           H  
CONECT    1    8    5    5    2                                       
CONECT    2    1    7    3   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    6    3   22   29                                       
CONECT    5    1    1    9    6                                       
CONECT    6    5    7    4   30                                       
CONECT    7    2    6                                                 
CONECT    8   14   14   10    1                                       
CONECT    9   15    5   19   19                                       
CONECT   10   11   11    8   31                                       
CONECT   11   12   10   10   32                                       
CONECT   12   20   13   13   11                                       
CONECT   13   12   12   14   33                                       
CONECT   14   13    8    8   34                                       
CONECT   15   16   16    9   35                                       
CONECT   16   15   15   17   36                                       
CONECT   17   16   21   18   18                                       
CONECT   18   17   17   19   37                                       
CONECT   19    9    9   18   38                                       
CONECT   20   12   39                                                 
CONECT   21   17   47                                                 
CONECT   22    4   23   23   25                                       
CONECT   22   25   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   40                                                 
CONECT   25   22   22                                                 
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   24   41   45   45                                       
CONECT   41   40   42   42   55                                       
CONECT   42   41   41   43   56                                       
CONECT   43   42   44   44   46                                       
CONECT   44   43   43   45   57                                       
CONECT   45   44   40   40   58                                       
CONECT   46   43                                                      
CONECT   47   21   48   59   60                                       
CONECT   48   47   49   61   62                                       
CONECT   49   48   50   63   64                                       
CONECT   50   49   51   65   66                                       
CONECT   51   50   52   67   68                                       
CONECT   52   51   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   69                                                 
CONECT   55   41                                                      
CONECT   56   42                                                      
CONECT   57   44                                                      
CONECT   58   45                                                      
CONECT   59   47                                                      
CONECT   60   47                                                      
CONECT   61   48                                                      
CONECT   62   48                                                      
CONECT   63   49                                                      
CONECT   64   49                                                      
CONECT   65   50                                                      
CONECT   66   50                                                      
CONECT   67   51                                                      
CONECT   68   51                                                      
CONECT   69   54                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
