COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.234   0.444   1.200  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.089   1.222   1.117  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.565   1.554  -0.123  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.177   1.101  -1.276  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.319   0.320  -1.194  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.847  -0.008   0.047  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.323   2.403  -0.214  1.00  0.00           C  
HETATM    8  C   UNL     1       0.896   1.526  -0.087  1.00  0.00           C  
HETATM    9  N   UNL     1       2.127   2.072  -0.140  1.00  0.00           N  
HETATM   10  C   UNL     1       3.252   1.253  -0.133  1.00  0.00           C  
HETATM   11  O   UNL     1       0.769   0.329   0.061  1.00  0.00           O  
HETATM   12  N   UNL     1       3.104  -0.055   0.031  1.00  0.00           N  
HETATM   13  C   UNL     1       4.138  -0.878   0.046  1.00  0.00           C  
HETATM   14  C   UNL     1       5.442  -0.388  -0.109  1.00  0.00           C  
HETATM   15  C   UNL     1       5.630   0.999  -0.290  1.00  0.00           C  
HETATM   16  C   UNL     1       4.508   1.819  -0.297  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.922  -0.125  -2.328  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.154   0.371  -3.426  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.485   1.667   2.251  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.256   1.175   3.349  1.00  0.00           C  
HETATM   21  N   UNL     1       6.901   1.530  -0.450  1.00  0.00           N  
HETATM   22  C   UNL     1       6.563  -1.279  -0.093  1.00  0.00           C  
HETATM   23  O   UNL     1       3.936  -2.207   0.217  1.00  0.00           O  
HETATM   24  C   UNL     1       2.526  -2.396   0.350  1.00  0.00           C  
HETATM   25  C   UNL     1       2.227  -3.884   0.547  1.00  0.00           C  
HETATM   26 BR   UNL     1      -5.405  -1.074   0.161  1.00  0.00          Br  
HETATM   27  N   UNL     1       7.452  -1.986  -0.080  1.00  0.00           N  
HETATM   28  H   UNL     1      -3.645   0.189   2.166  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.766   1.357  -2.242  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.327   3.139   0.591  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.303   2.917  -1.175  1.00  0.00           H  
HETATM   32  H   UNL     1       2.229   3.036  -0.182  1.00  0.00           H  
HETATM   33  H   UNL     1       4.613   2.886  -0.429  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.141   1.461  -3.397  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.134  -0.007  -3.356  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.601   0.038  -4.363  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.274   1.556   3.278  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.273   0.085   3.322  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.808   1.507   4.286  1.00  0.00           H  
HETATM   40  H   UNL     1       7.016   2.486  -0.570  1.00  0.00           H  
HETATM   41  H   UNL     1       7.675   0.946  -0.443  1.00  0.00           H  
HETATM   42  H   UNL     1       2.025  -2.042  -0.551  1.00  0.00           H  
HETATM   43  H   UNL     1       2.163  -1.836   1.212  1.00  0.00           H  
HETATM   44  H   UNL     1       2.589  -4.445  -0.315  1.00  0.00           H  
HETATM   45  H   UNL     1       2.728  -4.239   1.447  1.00  0.00           H  
HETATM   46  H   UNL     1       1.152  -4.029   0.648  1.00  0.00           H  
CONECT    1    2    2    6   28                                       
CONECT    2    1    1    3   19                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6   17                                       
CONECT    6    1    5    5   26                                       
CONECT    7    3    8   30   31                                       
CONECT    8    7    9   11   11                                       
CONECT    9    8   10   32                                            
CONECT   10    9   12   16   16                                       
CONECT   11    8    8                                                 
CONECT   12   10   13   13                                            
CONECT   13   12   12   14   23                                       
CONECT   14   13   15   15   22                                       
CONECT   15   14   14   16   21                                       
CONECT   16   10   10   15   33                                       
CONECT   17    5   18                                                 
CONECT   18   17   34   35   36                                       
CONECT   19    2   20                                                 
CONECT   20   19   37   38   39                                       
CONECT   21   15   40   41                                            
CONECT   22   14   27   27   27                                       
CONECT   23   13   24                                                 
CONECT   24   23   25   42   43                                       
CONECT   25   24   44   45   46                                       
CONECT   26    6                                                      
CONECT   27   22   22   22                                            
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
