COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.326   0.159  -6.209  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.224   0.979  -6.370  1.00  0.00           C  
HETATM    3  C   UNL     1       0.006   0.586  -5.879  1.00  0.00           C  
HETATM    4  C   UNL     1       0.135  -0.625  -5.226  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.965  -1.447  -5.070  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.197  -1.052  -5.556  1.00  0.00           C  
HETATM    7 BR   UNL     1      -4.010   0.696  -6.882  1.00  0.00          Br  
HETATM    8  S   UNL     1       1.704  -1.125  -4.600  1.00  0.00           S  
HETATM    9  O   UNL     1       2.615  -0.434  -5.443  1.00  0.00           O  
HETATM   10  O   UNL     1       1.605  -2.543  -4.597  1.00  0.00           O  
HETATM   11  C   UNL     1       1.710  -0.453  -2.915  1.00  0.00           C  
HETATM   12  C   UNL     1       3.029  -0.810  -2.228  1.00  0.00           C  
HETATM   13  C   UNL     1       2.453  -0.276   2.705  1.00  0.00           C  
HETATM   14  C   UNL     1       3.495   0.491   3.486  1.00  0.00           C  
HETATM   15  C   UNL     1       4.025   1.598   3.041  1.00  0.00           C  
HETATM   16  C   UNL     1       3.640   2.201   1.709  1.00  0.00           C  
HETATM   17  C   UNL     1       3.484   0.958  -0.517  1.00  0.00           C  
HETATM   18  C   UNL     1       2.589  -0.912   0.233  1.00  0.00           C  
HETATM   19  N   UNL     1       3.329   1.096   0.798  1.00  0.00           N  
HETATM   20  N   UNL     1       2.753  -0.105   1.280  1.00  0.00           N  
HETATM   21  O   UNL     1       2.120  -2.032   0.262  1.00  0.00           O  
HETATM   22  O   UNL     1       3.950   1.790  -1.271  1.00  0.00           O  
HETATM   23  N   UNL     1       3.034  -0.267  -0.867  1.00  0.00           N  
HETATM   24  C   UNL     1       1.081   0.268   3.008  1.00  0.00           C  
HETATM   25  O   UNL     1       0.406   0.740   2.118  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.727   0.763   4.563  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.022   0.601   6.056  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.414   1.155   6.364  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.709   0.994   7.857  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.656  -0.488   8.229  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.263  -1.042   7.921  1.00  0.00           C  
HETATM   32  N   UNL     1       0.605   0.232   4.268  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.969  -0.881   6.429  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.946  -0.647   9.700  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.549  -1.788  10.159  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.625   0.292  10.527  1.00  0.00           N  
HETATM   37  H   UNL     1      -1.325   1.926  -6.880  1.00  0.00           H  
HETATM   38  H   UNL     1       0.867   1.226  -6.004  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.864  -2.394  -4.560  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.058  -1.692  -5.429  1.00  0.00           H  
HETATM   41  H   UNL     1       0.880  -0.879  -2.351  1.00  0.00           H  
HETATM   42  H   UNL     1       1.603   0.630  -2.956  1.00  0.00           H  
HETATM   43  H   UNL     1       3.859  -0.384  -2.792  1.00  0.00           H  
HETATM   44  H   UNL     1       3.136  -1.894  -2.187  1.00  0.00           H  
HETATM   45  H   UNL     1       2.497  -1.333   2.968  1.00  0.00           H  
HETATM   46  H   UNL     1       3.813   0.110   4.445  1.00  0.00           H  
HETATM   47  H   UNL     1       4.765   2.101   3.646  1.00  0.00           H  
HETATM   48  H   UNL     1       2.764   2.838   1.831  1.00  0.00           H  
HETATM   49  H   UNL     1       4.470   2.785   1.313  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.472   0.216   3.985  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.765   1.819   4.298  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.277   1.148   6.635  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.159   0.609   5.786  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.452   2.212   6.099  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.701   1.388   8.076  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.964   1.540   8.435  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.400  -1.035   7.651  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.519  -0.496   8.500  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.226  -2.099   8.187  1.00  0.00           H  
HETATM   60  H   UNL     1       1.146  -0.144   4.980  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.713  -1.428   5.850  1.00  0.00           H  
HETATM   62  H   UNL     1       0.022  -1.276   6.209  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.736  -1.891  11.106  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.793  -2.492   9.538  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.198   1.100  10.202  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    4   38                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6   39                                       
CONECT    6    1    5    5   40                                       
CONECT    7    1                                                      
CONECT    8    4    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   41   42                                       
CONECT   12   11   23   43   44                                       
CONECT   13   14   20   24   45                                       
CONECT   14   13   15   15   46                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   19   48   49                                       
CONECT   17   19   22   22   23                                       
CONECT   18   20   21   21   23                                       
CONECT   19   16   17   20                                            
CONECT   20   13   18   19                                            
CONECT   21   18   18                                                 
CONECT   22   17   17                                                 
CONECT   23   12   17   18                                            
CONECT   24   13   25   25   32                                       
CONECT   25   24   24                                                 
CONECT   26   27   32   50   51                                       
CONECT   27   26   28   33   52                                       
CONECT   28   27   29   53   54                                       
CONECT   29   28   30   55   56                                       
CONECT   30   29   31   34   57                                       
CONECT   31   30   33   58   59                                       
CONECT   32   24   26   60                                            
CONECT   33   27   31   61   62                                       
CONECT   34   30   35   36   36                                       
CONECT   35   34   63   64                                            
CONECT   36   34   34   65                                            
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
