COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.799   1.415   2.068  1.00  0.00           C  
HETATM    2  C   UNL     1       5.017   1.313   0.684  1.00  0.00           C  
HETATM    3  C   UNL     1       3.915   0.577   2.675  1.00  0.00           C  
HETATM    4  C   UNL     1       3.038  -2.941   0.304  1.00  0.00           C  
HETATM    5  C   UNL     1       1.131  -1.347   0.049  1.00  0.00           C  
HETATM    6  C   UNL     1       2.631  -1.546  -0.176  1.00  0.00           C  
HETATM    7  C   UNL     1       3.397  -0.505   0.599  1.00  0.00           C  
HETATM    8  C   UNL     1       0.729   0.026  -0.424  1.00  0.00           C  
HETATM    9  C   UNL     1       0.256   2.163  -0.405  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.186  -1.673  -0.003  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.016  -1.421  -1.079  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.934  -0.389  -1.017  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.021   0.391   0.123  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.731  -3.355   1.259  1.00  0.00           O  
HETATM   15  S   UNL     1      -1.015  -2.988  -0.084  1.00  0.00           S  
HETATM   16  O   UNL     1      -1.507  -3.904  -1.052  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.269  -0.891   1.133  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.190   0.138   1.199  1.00  0.00           C  
HETATM   19 BR   UNL     1      -5.275   1.804   0.208  1.00  0.00          Br  
HETATM   20  N   UNL     1       0.386  -2.360  -0.704  1.00  0.00           N  
HETATM   21  N   UNL     1       0.418   0.337  -1.638  1.00  0.00           N  
HETATM   22  N   UNL     1       0.107   1.705  -1.666  1.00  0.00           N  
HETATM   23  O   UNL     1       0.634   1.122   0.355  1.00  0.00           O  
HETATM   24  O   UNL     1       0.077   3.306  -0.026  1.00  0.00           O  
HETATM   25  C   UNL     1       4.306   0.340  -0.061  1.00  0.00           C  
HETATM   26  C   UNL     1       4.515   0.245  -1.448  1.00  0.00           C  
HETATM   27  C   UNL     1       5.403   1.080  -2.053  1.00  0.00           C  
HETATM   28  C   UNL     1       6.111   2.029  -1.319  1.00  0.00           C  
HETATM   29  C   UNL     1       5.926   2.158   0.023  1.00  0.00           C  
HETATM   30  C   UNL     1       3.220  -0.384   1.943  1.00  0.00           C  
HETATM   31  H   UNL     1       5.334   2.152   2.649  1.00  0.00           H  
HETATM   32  H   UNL     1       3.750   0.657   3.739  1.00  0.00           H  
HETATM   33  H   UNL     1       2.814  -3.039   1.367  1.00  0.00           H  
HETATM   34  H   UNL     1       2.484  -3.694  -0.256  1.00  0.00           H  
HETATM   35  H   UNL     1       4.107  -3.082   0.144  1.00  0.00           H  
HETATM   36  H   UNL     1       0.906  -1.446   1.111  1.00  0.00           H  
HETATM   37  H   UNL     1       2.855  -1.447  -1.238  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.948  -2.029  -1.969  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.582  -0.191  -1.857  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.620  -1.089   1.974  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.254   0.749   2.087  1.00  0.00           H  
HETATM   42  H   UNL     1       0.714  -2.662  -1.565  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.164   2.221  -2.441  1.00  0.00           H  
HETATM   44  H   UNL     1       3.974  -0.486  -2.030  1.00  0.00           H  
HETATM   45  H   UNL     1       5.562   1.005  -3.119  1.00  0.00           H  
HETATM   46  H   UNL     1       6.810   2.679  -1.824  1.00  0.00           H  
HETATM   47  H   UNL     1       6.474   2.905   0.578  1.00  0.00           H  
HETATM   48  H   UNL     1       2.525  -1.038   2.449  1.00  0.00           H  
CONECT    1    3    2    2   31                                       
CONECT    2    1    1   25   29                                       
CONECT    3   30   30    1   32                                       
CONECT    4    6   33   34   35                                       
CONECT    5   20    8    6   36                                       
CONECT    6    5    4    7   37                                       
CONECT    7   30    6   25   25                                       
CONECT    8    5   21   21   23                                       
CONECT    9   22   23   24   24                                       
CONECT   10   17   15   11   11                                       
CONECT   11   10   10   12   38                                       
CONECT   12   13   13   11   39                                       
CONECT   13   18   19   12   12                                       
CONECT   14   15   15                                                 
CONECT   15   16   16   14   14                                       
CONECT   15   10   20                                                 
CONECT   16   15   15                                                 
CONECT   17   18   18   10   40                                       
CONECT   18   17   17   13   41                                       
CONECT   19   13                                                      
CONECT   20   15    5   42                                            
CONECT   21    8    8   22                                            
CONECT   22   21    9   43                                            
CONECT   23    8    9                                                 
CONECT   24    9    9                                                 
CONECT   25    7    7    2   26                                       
CONECT   26   25   27   27   44                                       
CONECT   27   26   26   28   45                                       
CONECT   28   29   29   27   46                                       
CONECT   29    2   28   28   47                                       
CONECT   30    3    3    7   48                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
