COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.262  -2.927  -1.597  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.264  -2.987  -0.438  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.926  -1.626  -0.015  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.591  -0.920   0.937  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.555  -1.307   1.571  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.945   0.390   1.065  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.085   1.558   1.795  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.205   2.616   1.581  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.184   2.568   0.668  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.007   1.404  -0.093  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.896   0.351   0.132  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.873  -0.873  -0.526  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.882  -1.041  -1.478  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.975  -0.016  -1.732  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.008   1.202  -1.069  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.080   2.197  -1.359  1.00  0.00           N  
HETATM   17  S   UNL     1       1.478   1.790  -1.744  1.00  0.00           S  
HETATM   18  O   UNL     1       1.397   0.851  -2.806  1.00  0.00           O  
HETATM   19  O   UNL     1       2.200   3.011  -1.839  1.00  0.00           O  
HETATM   20  C   UNL     1       2.147   0.923  -0.363  1.00  0.00           C  
HETATM   21  C   UNL     1       2.509  -0.404  -0.490  1.00  0.00           C  
HETATM   22  C   UNL     1       3.034  -1.085   0.594  1.00  0.00           C  
HETATM   23 BR   UNL     1       3.530  -2.901   0.417  1.00  0.00          Br  
HETATM   24  C   UNL     1       3.198  -0.439   1.806  1.00  0.00           C  
HETATM   25  C   UNL     1       2.837   0.888   1.937  1.00  0.00           C  
HETATM   26  C   UNL     1       2.315   1.574   0.850  1.00  0.00           C  
HETATM   27  O   UNL     1       1.960   2.880   0.977  1.00  0.00           O  
HETATM   28  C   UNL     1       2.151   3.483   2.258  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.816  -2.387  -2.433  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.514  -3.940  -1.912  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.166  -2.412  -1.272  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.710  -3.527   0.397  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.360  -3.502  -0.763  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.874   1.648   2.528  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.334   3.517   2.162  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.526   3.414   0.536  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.811  -1.970  -2.023  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.212  -0.176  -2.479  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.346   3.130  -1.335  1.00  0.00           H  
HETATM   40  H   UNL     1       2.382  -0.910  -1.436  1.00  0.00           H  
HETATM   41  H   UNL     1       3.604  -0.974   2.652  1.00  0.00           H  
HETATM   42  H   UNL     1       2.964   1.392   2.884  1.00  0.00           H  
HETATM   43  H   UNL     1       1.828   4.523   2.222  1.00  0.00           H  
HETATM   44  H   UNL     1       1.565   2.946   3.004  1.00  0.00           H  
HETATM   45  H   UNL     1       3.207   3.439   2.526  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    3    1   32   33                                       
CONECT    3    4   12    2                                            
CONECT    4    6    5    5    3                                       
CONECT    5    4    4                                                 
CONECT    6    7    7   11    4                                       
CONECT    7    8    6    6   34                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8   10   36                                       
CONECT   10    9   11   15   15                                       
CONECT   11    6   10   12   12                                       
CONECT   12   11   11    3   13                                       
CONECT   13   12   14   14   37                                       
CONECT   14   15   13   13   38                                       
CONECT   15   10   10   16   14                                       
CONECT   16   17   15   39                                            
CONECT   17   20   19   19   16                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   26   21   21   17                                       
CONECT   21   22   20   20   40                                       
CONECT   22   24   24   23   21                                       
CONECT   23   22                                                      
CONECT   24   25   22   22   41                                       
CONECT   25   24   26   26   42                                       
CONECT   26   25   25   27   20                                       
CONECT   27   28   26                                                 
CONECT   28   27   43   44   45                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
