COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.802   1.831  -1.093  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.212  -0.184  -0.305  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.765   0.552  -0.281  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.386   0.442  -0.733  1.00  0.00           C  
HETATM    5  C   UNL     1       4.142   0.546   1.457  1.00  0.00           C  
HETATM    6  C   UNL     1       0.651   1.245   2.370  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.111   3.055  -1.506  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.773  -0.146  -0.686  1.00  0.00           C  
HETATM    9  C   UNL     1       5.848  -0.727  -1.653  1.00  0.00           C  
HETATM   10  C   UNL     1       7.093  -1.037  -2.161  1.00  0.00           C  
HETATM   11  C   UNL     1       8.221  -0.883  -1.375  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.199   0.730  -0.550  1.00  0.00           C  
HETATM   13  C   UNL     1       2.239   0.359   0.351  1.00  0.00           C  
HETATM   14  N   UNL     1       0.913   0.431   0.163  1.00  0.00           N  
HETATM   15  N   UNL     1      -5.068   1.629  -1.182  1.00  0.00           N  
HETATM   16  N   UNL     1       3.221  -0.027  -0.449  1.00  0.00           N  
HETATM   17  N   UNL     1       2.788   0.726   1.554  1.00  0.00           N  
HETATM   18  C   UNL     1       4.393   0.081   0.203  1.00  0.00           C  
HETATM   19  C   UNL     1       0.116   0.860   1.123  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.251   0.926   0.908  1.00  0.00           N  
HETATM   21  C   UNL     1       1.987   1.171   2.568  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.043   0.068  -1.131  1.00  0.00           O  
HETATM   23  C   UNL     1       5.729  -0.253  -0.348  1.00  0.00           C  
HETATM   24 BR   UNL     1      -4.039  -1.914   0.439  1.00  0.00          Br  
HETATM   25  C   UNL     1       6.869  -0.095   0.437  1.00  0.00           C  
HETATM   26  C   UNL     1       8.108  -0.419  -0.077  1.00  0.00           C  
HETATM   27  H   UNL     1       4.873   0.741   2.228  1.00  0.00           H  
HETATM   28  H   UNL     1       0.001   1.594   3.159  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.145   3.782  -0.695  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.073   2.823  -1.743  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.602   3.470  -2.387  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.241   0.104   0.267  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.369   0.262  -1.502  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.711  -1.230  -0.787  1.00  0.00           H  
HETATM   35  H   UNL     1       4.968  -0.848  -2.268  1.00  0.00           H  
HETATM   36  H   UNL     1       7.187  -1.400  -3.174  1.00  0.00           H  
HETATM   37  H   UNL     1       9.194  -1.128  -1.776  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.839   1.242   1.612  1.00  0.00           H  
HETATM   39  H   UNL     1       2.416   1.461   3.516  1.00  0.00           H  
HETATM   40  H   UNL     1       6.782   0.272   1.449  1.00  0.00           H  
HETATM   41  H   UNL     1       8.993  -0.297   0.530  1.00  0.00           H  
CONECT    1   12   15    7                                            
CONECT    2   12   12    4   24                                       
CONECT    3   12   20   22   22                                       
CONECT    4   15   15    2    8                                       
CONECT    5   17   18   18   27                                       
CONECT    6   19   21   21   28                                       
CONECT    7    1   29   30   31                                       
CONECT    8    4   32   33   34                                       
CONECT    9   23   23   10   35                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10   26   37                                       
CONECT   12    1    2    2    3                                       
CONECT   13   14   16   16   17                                       
CONECT   14   13   19   19                                            
CONECT   15    1    4    4                                            
CONECT   16   13   13   18                                            
CONECT   17   13    5   21                                            
CONECT   18   16    5    5   23                                       
CONECT   19   14   14   20    6                                       
CONECT   20    3   19   38                                            
CONECT   21   17    6    6   39                                       
CONECT   22    3    3                                                 
CONECT   23   18    9    9   25                                       
CONECT   24    2                                                      
CONECT   25   23   26   26   40                                       
CONECT   26   25   25   11   41                                       
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
