COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.288   0.663  -0.984  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.521  -0.117  -0.519  1.00  0.00           C  
HETATM    3  O   UNL     1     -10.360  -1.497  -0.857  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.199  -2.101  -0.280  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.953  -1.341  -0.742  1.00  0.00           C  
HETATM    6  N   UNL     1      -8.085   0.077  -0.374  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.883   0.834  -0.750  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.696   0.357   0.090  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.498   1.111  -0.285  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.324   0.860   0.328  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.260   0.009   1.190  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.091   1.636  -0.057  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.983   1.190   0.727  1.00  0.00           O  
HETATM   14  C   UNL     1       0.214   1.793   0.502  1.00  0.00           C  
HETATM   15  C   UNL     1       0.313   2.788  -0.451  1.00  0.00           C  
HETATM   16  C   UNL     1       1.535   3.407  -0.685  1.00  0.00           C  
HETATM   17  O   UNL     1       1.930   4.383  -1.529  1.00  0.00           O  
HETATM   18  N   UNL     1       3.309   4.630  -1.345  1.00  0.00           N  
HETATM   19  C   UNL     1       3.776   3.844  -0.423  1.00  0.00           C  
HETATM   20  C   UNL     1       5.199   3.793   0.069  1.00  0.00           C  
HETATM   21  C   UNL     1       2.665   3.016   0.052  1.00  0.00           C  
HETATM   22  C   UNL     1       2.557   2.008   1.016  1.00  0.00           C  
HETATM   23  C   UNL     1       1.336   1.406   1.242  1.00  0.00           C  
HETATM   24  N   UNL     1       1.222   0.400   2.211  1.00  0.00           N  
HETATM   25  S   UNL     1       2.469  -0.663   2.453  1.00  0.00           S  
HETATM   26  O   UNL     1       3.630   0.125   2.678  1.00  0.00           O  
HETATM   27  O   UNL     1       1.996  -1.632   3.378  1.00  0.00           O  
HETATM   28  C   UNL     1       2.732  -1.513   0.932  1.00  0.00           C  
HETATM   29  C   UNL     1       3.923  -1.356   0.249  1.00  0.00           C  
HETATM   30  C   UNL     1       4.130  -2.023  -0.945  1.00  0.00           C  
HETATM   31 BR   UNL     1       5.762  -1.808  -1.876  1.00  0.00          Br  
HETATM   32  C   UNL     1       3.145  -2.848  -1.458  1.00  0.00           C  
HETATM   33  C   UNL     1       1.953  -3.007  -0.779  1.00  0.00           C  
HETATM   34  C   UNL     1       1.745  -2.344   0.421  1.00  0.00           C  
HETATM   35  O   UNL     1       0.573  -2.499   1.091  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.402  -3.361   0.501  1.00  0.00           C  
HETATM   37  H   UNL     1      -9.210   0.607  -2.069  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.380   1.705  -0.678  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.629  -0.017   0.561  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.408   0.278  -1.012  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.269  -2.058   0.807  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.132  -3.140  -0.601  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.071  -1.761  -0.260  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.853  -1.429  -1.824  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.668   0.673  -1.807  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.051   1.896  -0.571  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.911   0.518   1.146  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.528  -0.705  -0.089  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.549   1.792  -0.974  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.876   1.475  -1.114  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.260   2.698   0.122  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.559   3.084  -1.016  1.00  0.00           H  
HETATM   53  H   UNL     1       5.321   4.488   0.901  1.00  0.00           H  
HETATM   54  H   UNL     1       5.433   2.782   0.403  1.00  0.00           H  
HETATM   55  H   UNL     1       5.874   4.074  -0.740  1.00  0.00           H  
HETATM   56  H   UNL     1       3.425   1.706   1.584  1.00  0.00           H  
HETATM   57  H   UNL     1       0.412   0.326   2.740  1.00  0.00           H  
HETATM   58  H   UNL     1       4.693  -0.712   0.648  1.00  0.00           H  
HETATM   59  H   UNL     1       3.307  -3.365  -2.393  1.00  0.00           H  
HETATM   60  H   UNL     1       1.184  -3.651  -1.181  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.675  -2.980  -0.483  1.00  0.00           H  
HETATM   62  H   UNL     1       0.013  -4.364   0.400  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.288  -3.396   1.136  1.00  0.00           H  
CONECT    1    2    6   37   38                                       
CONECT    2    3    1   39   40                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   10   49                                            
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   50   51                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   23   23                                       
CONECT   15   14   16   16   52                                       
CONECT   16   15   15   17   21                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19                                            
CONECT   19   21   18   18   20                                       
CONECT   20   19   53   54   55                                       
CONECT   21   16   22   22   19                                       
CONECT   22   23   21   21   56                                       
CONECT   23   14   14   24   22                                       
CONECT   24   25   23   57                                            
CONECT   25   28   27   27   24                                       
CONECT   25   26   26                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   34   34   29   25                                       
CONECT   29   30   30   28   58                                       
CONECT   30   32   31   29   29                                       
CONECT   31   30                                                      
CONECT   32   33   33   30   59                                       
CONECT   33   32   32   34   60                                       
CONECT   34   33   35   28   28                                       
CONECT   35   36   34                                                 
CONECT   36   35   61   62   63                                       
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    9                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   29                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
