COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.775   1.675   0.043  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.978   1.732   0.732  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.808   0.628   0.764  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.440  -0.534   0.111  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.241  -0.594  -0.577  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.957   2.760   0.010  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.398   3.926   0.707  1.00  0.00           C  
HETATM    8 BR   UNL     1      -8.578  -2.043   0.157  1.00  0.00          Br  
HETATM    9  C   UNL     1      -5.406   0.506  -0.608  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.990   0.088  -0.402  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.235  -0.093   0.772  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.101   0.441  -1.358  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.725  -0.027  -0.852  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.645  -0.370   0.077  1.00  0.00           C  
HETATM   15  C   UNL     1       0.664   0.143  -0.464  1.00  0.00           C  
HETATM   16  O   UNL     1       0.765   0.430  -1.638  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.572  -1.890   0.234  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.846  -2.395   0.915  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.439  -2.540  -1.145  1.00  0.00           C  
HETATM   20  N   UNL     1       1.724   0.282   0.357  1.00  0.00           N  
HETATM   21  C   UNL     1       2.976   0.847  -0.152  1.00  0.00           C  
HETATM   22  C   UNL     1       4.157   0.036   0.384  1.00  0.00           C  
HETATM   23  O   UNL     1       4.228   0.179   1.804  1.00  0.00           O  
HETATM   24  C   UNL     1       3.104   2.301   0.309  1.00  0.00           C  
HETATM   25  C   UNL     1       2.013   3.126  -0.322  1.00  0.00           C  
HETATM   26  O   UNL     1       1.299   2.639  -1.167  1.00  0.00           O  
HETATM   27  O   UNL     1       1.833   4.402   0.054  1.00  0.00           O  
HETATM   28  C   UNL     1       5.455   0.548  -0.245  1.00  0.00           C  
HETATM   29  S   UNL     1       6.836  -0.506   0.276  1.00  0.00           S  
HETATM   30  C   UNL     1       8.261   0.247  -0.557  1.00  0.00           C  
HETATM   31  C   UNL     1       9.508  -0.529  -0.219  1.00  0.00           C  
HETATM   32  C   UNL     1       9.898  -1.591  -1.013  1.00  0.00           C  
HETATM   33  C   UNL     1      11.042  -2.302  -0.703  1.00  0.00           C  
HETATM   34  C   UNL     1      11.796  -1.951   0.401  1.00  0.00           C  
HETATM   35  C   UNL     1      11.406  -0.888   1.195  1.00  0.00           C  
HETATM   36  C   UNL     1      10.265  -0.174   0.882  1.00  0.00           C  
HETATM   37  H   UNL     1      -7.265   2.640   1.243  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.744   0.673   1.301  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.956  -1.502  -1.086  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.654   4.716   0.601  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.347   4.262   0.289  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.530   3.690   1.763  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.166  -0.320  -2.136  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.894   1.409  -1.813  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.529   0.117  -1.791  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.842   0.086   1.047  1.00  0.00           H  
HETATM   47  H   UNL     1       0.294  -2.151   0.844  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.698  -2.234   0.255  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.747  -3.459   1.128  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.000  -1.850   1.847  1.00  0.00           H  
HETATM   51  H   UNL     1       0.468  -2.181  -1.630  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.387  -3.623  -1.032  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.304  -2.279  -1.754  1.00  0.00           H  
HETATM   54  H   UNL     1       1.658   0.008   1.285  1.00  0.00           H  
HETATM   55  H   UNL     1       2.975   0.811  -1.241  1.00  0.00           H  
HETATM   56  H   UNL     1       3.013   2.347   1.395  1.00  0.00           H  
HETATM   57  H   UNL     1       4.076   2.693   0.009  1.00  0.00           H  
HETATM   58  H   UNL     1       1.121   4.891  -0.380  1.00  0.00           H  
HETATM   59  H   UNL     1       5.367   0.522  -1.331  1.00  0.00           H  
HETATM   60  H   UNL     1       5.637   1.572   0.080  1.00  0.00           H  
HETATM   61  H   UNL     1       8.103   0.228  -1.636  1.00  0.00           H  
HETATM   62  H   UNL     1       8.373   1.278  -0.225  1.00  0.00           H  
HETATM   63  H   UNL     1       9.309  -1.865  -1.876  1.00  0.00           H  
HETATM   64  H   UNL     1      11.347  -3.132  -1.323  1.00  0.00           H  
HETATM   65  H   UNL     1      12.690  -2.507   0.644  1.00  0.00           H  
HETATM   66  H   UNL     1      11.995  -0.614   2.058  1.00  0.00           H  
HETATM   67  H   UNL     1       9.962   0.659   1.500  1.00  0.00           H  
HETATM   68  H   UNL     1       4.021  -1.015   0.132  1.00  0.00           H  
HETATM   69  H   UNL     1       4.349   1.091   2.102  1.00  0.00           H  
CONECT    1    2    2    6    9                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    4   38                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    9    9   39                                       
CONECT    6    1    7                                                 
CONECT    7    6   40   41   42                                       
CONECT    8    4                                                      
CONECT    9    1    5    5   12                                       
CONECT   10   11   11   12   13                                       
CONECT   11   10   10                                                 
CONECT   12    9   10   43   44                                       
CONECT   13   10   14   45                                            
CONECT   14   13   15   17   46                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   19   47                                       
CONECT   18   17   48   49   50                                       
CONECT   19   17   51   52   53                                       
CONECT   20   15   21   54                                            
CONECT   21   20   22   24   55                                       
CONECT   22   21   23   28   68                                       
CONECT   23   22   69                                                 
CONECT   24   21   25   56   57                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   58                                                 
CONECT   28   22   29   59   60                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   61   62                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   63                                       
CONECT   33   32   34   34   64                                       
CONECT   34   33   33   35   65                                       
CONECT   35   34   36   36   66                                       
CONECT   36   31   35   35   67                                       
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
