COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.948  -2.215   0.498  1.00  0.00           C  
HETATM    2  C   UNL     1       7.583  -1.557   0.707  1.00  0.00           C  
HETATM    3  C   UNL     1       7.133  -0.893  -0.596  1.00  0.00           C  
HETATM    4  C   UNL     1       5.788  -0.244  -0.390  1.00  0.00           C  
HETATM    5  C   UNL     1       5.712   1.068  -0.072  1.00  0.00           C  
HETATM    6  C   UNL     1       4.448   1.666   0.117  1.00  0.00           C  
HETATM    7  O   UNL     1       4.367   2.848   0.404  1.00  0.00           O  
HETATM    8  N   UNL     1       3.334   0.925  -0.020  1.00  0.00           N  
HETATM    9  N   UNL     1       1.969   1.220   0.101  1.00  0.00           N  
HETATM   10  C   UNL     1       1.316   0.107  -0.142  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.070  -0.036  -0.125  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.921   1.116   0.184  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.368   0.698   0.137  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.989   0.227   1.279  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.316  -0.156   1.236  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.024  -0.068   0.051  1.00  0.00           C  
HETATM   17 BR   UNL     1      -6.840  -0.591  -0.008  1.00  0.00          Br  
HETATM   18  C   UNL     1      -4.402   0.404  -1.092  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.076   0.791  -1.047  1.00  0.00           C  
HETATM   20  N   UNL     1       2.191  -0.868  -0.408  1.00  0.00           N  
HETATM   21  C   UNL     1       3.418  -0.394  -0.340  1.00  0.00           C  
HETATM   22  N   UNL     1       4.648  -0.979  -0.530  1.00  0.00           N  
HETATM   23  H   UNL     1       8.873  -2.968  -0.286  1.00  0.00           H  
HETATM   24  H   UNL     1       9.676  -1.458   0.206  1.00  0.00           H  
HETATM   25  H   UNL     1       9.269  -2.688   1.426  1.00  0.00           H  
HETATM   26  H   UNL     1       6.856  -2.314   0.999  1.00  0.00           H  
HETATM   27  H   UNL     1       7.659  -0.804   1.492  1.00  0.00           H  
HETATM   28  H   UNL     1       7.861  -0.135  -0.888  1.00  0.00           H  
HETATM   29  H   UNL     1       7.057  -1.646  -1.380  1.00  0.00           H  
HETATM   30  H   UNL     1       6.613   1.654   0.036  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.471  -0.898  -0.317  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.682   1.487   1.180  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.746   1.903  -0.549  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.436   0.157   2.204  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.801  -0.525   2.128  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.954   0.473  -2.017  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.591   1.160  -1.939  1.00  0.00           H  
HETATM   38  H   UNL     1       4.706  -1.920  -0.763  1.00  0.00           H  
CONECT    1    2   23   24   25                                       
CONECT    2    1    3   26   27                                       
CONECT    3    2    4   28   29                                       
CONECT    4   22    3    5    5                                       
CONECT    5    4    4    6   30                                       
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8   21    9    6                                            
CONECT    9   10   10    8                                            
CONECT   10   20   11    9    9                                       
CONECT   11   10   12   31                                            
CONECT   12   13   11   32   33                                       
CONECT   13   14   14   19   12                                       
CONECT   14   15   13   13   34                                       
CONECT   15   16   16   14   35                                       
CONECT   16   17   15   15   18                                       
CONECT   17   16                                                      
CONECT   18   16   19   19   36                                       
CONECT   19   18   18   13   37                                       
CONECT   20   21   21   10                                            
CONECT   21   20   20   22    8                                       
CONECT   22   21    4   38                                            
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
