COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.329  -2.269   0.927  1.00  0.00           C  
HETATM    2  C   UNL     1       0.398  -2.316   2.274  1.00  0.00           C  
HETATM    3  C   UNL     1       1.286  -1.033   2.302  1.00  0.00           C  
HETATM    4  C   UNL     1       2.358  -1.361   1.227  1.00  0.00           C  
HETATM    5  C   UNL     1       0.602  -2.578  -0.010  1.00  0.00           C  
HETATM    6  C   UNL     1       1.915  -2.780   0.752  1.00  0.00           C  
HETATM    7  O   UNL     1       1.392  -3.363   2.011  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.751  -1.959   0.696  1.00  0.00           C  
HETATM    9  C   UNL     1       0.398  -2.671  -1.466  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.607  -2.936   0.181  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.936  -2.642  -0.033  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.425  -1.376   0.263  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.578  -0.401   0.775  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.249  -0.688   0.998  1.00  0.00           C  
HETATM   15  C   UNL     1       0.058  -1.531  -2.201  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.132  -1.623  -3.563  1.00  0.00           C  
HETATM   17  C   UNL     1       0.015  -2.846  -4.206  1.00  0.00           C  
HETATM   18  C   UNL     1       0.353  -3.981  -3.480  1.00  0.00           C  
HETATM   19  C   UNL     1       0.551  -3.898  -2.118  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.736  -1.090   0.051  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.173  -2.932  -5.548  1.00  0.00           O  
HETATM   22  S   UNL     1       4.016  -1.411   1.960  1.00  0.00           S  
HETATM   23  O   UNL     1       4.042  -2.288   3.077  1.00  0.00           O  
HETATM   24  O   UNL     1       5.008  -1.488   0.945  1.00  0.00           O  
HETATM   25  O   UNL     1       4.206  -0.027   2.565  1.00  0.00           O  
HETATM   26  H   UNL     1      -0.236  -2.469   3.147  1.00  0.00           H  
HETATM   27  H   UNL     1       0.709  -0.153   2.020  1.00  0.00           H  
HETATM   28  H   UNL     1       2.317  -0.646   0.406  1.00  0.00           H  
HETATM   29  H   UNL     1       2.678  -3.365   0.239  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.963   0.582   1.004  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.592   0.069   1.400  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.058  -0.581  -1.702  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.395  -0.744  -4.131  1.00  0.00           H  
HETATM   34  H   UNL     1       0.466  -4.929  -3.984  1.00  0.00           H  
HETATM   35  H   UNL     1       0.814  -4.781  -1.555  1.00  0.00           H  
HETATM   36  H   UNL     1       0.629  -2.785  -6.068  1.00  0.00           H  
HETATM   37  C   UNL     1       4.441   0.949   1.649  1.00  0.00           C  
HETATM   38  C   UNL     1       3.381   1.658   1.103  1.00  0.00           C  
HETATM   39  C   UNL     1       3.621   2.650   0.172  1.00  0.00           C  
HETATM   40  C   UNL     1       4.918   2.937  -0.216  1.00  0.00           C  
HETATM   41  C   UNL     1       5.741   1.242   1.263  1.00  0.00           C  
HETATM   42  C   UNL     1       5.977   2.230   0.327  1.00  0.00           C  
HETATM   43 BR   UNL     1       5.245   4.295  -1.490  1.00  0.00          Br  
HETATM   44  C   UNL     1      -6.173   0.231   0.377  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.667   0.363   0.073  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.135   1.778   0.422  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.628   1.910   0.118  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.089   3.303   0.462  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.304   4.107   0.905  1.00  0.00           O  
HETATM   50  O   UNL     1     -11.373   3.651   0.276  1.00  0.00           O  
HETATM   51  H   UNL     1       1.745  -0.898   3.281  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.227  -3.921  -0.050  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.598  -3.396  -0.432  1.00  0.00           H  
HETATM   54  H   UNL     1       2.368   1.435   1.405  1.00  0.00           H  
HETATM   55  H   UNL     1       2.797   3.202  -0.254  1.00  0.00           H  
HETATM   56  H   UNL     1       6.567   0.694   1.690  1.00  0.00           H  
HETATM   57  H   UNL     1       6.988   2.458   0.026  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.000   0.419   1.437  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.616   0.955  -0.217  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.840   0.175  -0.986  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.224  -0.361   0.667  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.962   1.966   1.482  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.577   2.502  -0.171  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.802   1.722  -0.941  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.186   1.186   0.712  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.621   4.555   0.512  1.00  0.00           H  
CONECT    1    2    5    5    8                                       
CONECT    2    3    7    1   26                                       
CONECT    3    4    2   27   51                                       
CONECT    4   22    3    6   28                                       
CONECT    5    6    9    1    1                                       
CONECT    6    4    7    5   29                                       
CONECT    7    6    2                                                 
CONECT    8    1   10   10   14                                       
CONECT    9   19   19   15    5                                       
CONECT   10    8    8   11   52                                       
CONECT   11   10   12   12   53                                       
CONECT   12   11   11   13   20                                       
CONECT   13   14   14   12   30                                       
CONECT   14    8   13   13   31                                       
CONECT   15   16   16    9   32                                       
CONECT   16   17   15   15   33                                       
CONECT   17   21   18   18   16                                       
CONECT   18   17   17   19   34                                       
CONECT   19   18    9    9   35                                       
CONECT   20   12   44                                                 
CONECT   21   17   36                                                 
CONECT   22   24   24   23   23                                       
CONECT   22   25    4                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   37                                                 
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
CONECT   37   25   38   41   41                                       
CONECT   38   37   39   39   54                                       
CONECT   39   38   38   40   55                                       
CONECT   40   39   42   42   43                                       
CONECT   41   37   37   42   56                                       
CONECT   42   41   40   40   57                                       
CONECT   43   40                                                      
CONECT   44   20   45   58   59                                       
CONECT   45   44   46   60   61                                       
CONECT   46   45   47   62   63                                       
CONECT   47   46   48   64   65                                       
CONECT   48   47   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   66                                                 
CONECT   51    3                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   38                                                      
CONECT   55   39                                                      
CONECT   56   41                                                      
CONECT   57   42                                                      
CONECT   58   44                                                      
CONECT   59   44                                                      
CONECT   60   45                                                      
CONECT   61   45                                                      
CONECT   62   46                                                      
CONECT   63   46                                                      
CONECT   64   47                                                      
CONECT   65   47                                                      
CONECT   66   50                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
