COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.701  -1.529  -0.552  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.702  -0.612  -0.814  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.898   0.460   0.039  1.00  0.00           C  
HETATM    4 BR   UNL     1      -6.267   1.714  -0.319  1.00  0.00          Br  
HETATM    5  C   UNL     1      -4.093   0.613   1.153  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.093  -0.305   1.415  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.897  -1.376   0.562  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.807  -2.376   0.848  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.567  -1.947   0.197  1.00  0.00           N  
HETATM   10  C   UNL     1       0.315  -1.136   0.873  1.00  0.00           C  
HETATM   11  N   UNL     1       0.039  -0.727   2.158  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.295  -2.352  -1.058  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.084  -3.072  -1.638  1.00  0.00           O  
HETATM   14  N   UNL     1       0.836  -1.972  -1.679  1.00  0.00           N  
HETATM   15  C   UNL     1       1.726  -1.174  -1.057  1.00  0.00           C  
HETATM   16  O   UNL     1       2.749  -0.834  -1.628  1.00  0.00           O  
HETATM   17  C   UNL     1       1.471  -0.740   0.256  1.00  0.00           C  
HETATM   18  N   UNL     1       2.395   0.093   0.928  1.00  0.00           N  
HETATM   19  C   UNL     1       1.928   1.301   1.614  1.00  0.00           C  
HETATM   20  S   UNL     1       4.004  -0.297   0.942  1.00  0.00           S  
HETATM   21  O   UNL     1       4.457  -0.087   2.272  1.00  0.00           O  
HETATM   22  O   UNL     1       4.121  -1.543   0.268  1.00  0.00           O  
HETATM   23  C   UNL     1       4.837   0.890  -0.060  1.00  0.00           C  
HETATM   24  C   UNL     1       5.324   2.053   0.506  1.00  0.00           C  
HETATM   25  C   UNL     1       5.977   2.984  -0.280  1.00  0.00           C  
HETATM   26  C   UNL     1       6.143   2.752  -1.632  1.00  0.00           C  
HETATM   27  C   UNL     1       5.656   1.588  -2.199  1.00  0.00           C  
HETATM   28  C   UNL     1       5.007   0.655  -1.412  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.551  -2.368  -1.215  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.330  -0.731  -1.684  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.246   1.449   1.819  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.465  -0.186   2.285  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.648  -2.443   1.924  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.101  -3.353   0.462  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.734  -1.083   2.624  1.00  0.00           H  
HETATM   36  H   UNL     1       0.616  -0.083   2.597  1.00  0.00           H  
HETATM   37  H   UNL     1       1.012  -2.275  -2.584  1.00  0.00           H  
HETATM   38  H   UNL     1       2.203   1.250   2.667  1.00  0.00           H  
HETATM   39  H   UNL     1       2.390   2.178   1.160  1.00  0.00           H  
HETATM   40  H   UNL     1       0.844   1.374   1.524  1.00  0.00           H  
HETATM   41  H   UNL     1       5.195   2.234   1.563  1.00  0.00           H  
HETATM   42  H   UNL     1       4.630  -0.255  -1.854  1.00  0.00           H  
HETATM   43  H   UNL     1       6.357   3.892   0.163  1.00  0.00           H  
HETATM   44  H   UNL     1       6.652   3.479  -2.246  1.00  0.00           H  
HETATM   45  H   UNL     1       5.785   1.407  -3.256  1.00  0.00           H  
CONECT    1    2    7    7   29                                       
CONECT    2    1    3    3   30                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3                                                      
CONECT    5    3    6    6   31                                       
CONECT    6    5    5    7   32                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   33   34                                       
CONECT    9    8   10   12                                            
CONECT   10    9   11   17   17                                       
CONECT   11   10   35   36                                            
CONECT   12    9   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   37                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   10   10   15   18                                       
CONECT   18   17   19   20                                            
CONECT   19   18   38   39   40                                       
CONECT   20   18   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24   28   28                                       
CONECT   24   23   25   25   41                                       
CONECT   25   24   24   26   43                                       
CONECT   26   25   27   27   44                                       
CONECT   27   26   26   28   45                                       
CONECT   28   23   23   27   42                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   14                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   24                                                      
CONECT   42   28                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
