COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.464   1.206   0.416  1.00  0.00           C  
HETATM    2  N   UNL     1       3.320   0.354   0.082  1.00  0.00           N  
HETATM    3  C   UNL     1       2.060   0.915  -0.036  1.00  0.00           C  
HETATM    4  N   UNL     1       1.864   2.209   0.147  1.00  0.00           N  
HETATM    5  C   UNL     1       0.661   2.755   0.036  1.00  0.00           C  
HETATM    6  N   UNL     1       0.515   4.117   0.239  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.459   1.991  -0.280  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.815   2.639  -0.400  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.028   3.074  -1.787  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.312   0.621  -0.484  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.475  -0.232  -0.822  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.824  -0.443  -2.156  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.908  -1.239  -2.465  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.649  -1.827  -1.456  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.310  -1.620  -0.131  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.223  -0.831   0.191  1.00  0.00           C  
HETATM   17 BR   UNL     1      -1.755  -0.557   2.003  1.00  0.00          Br  
HETATM   18  C   UNL     1       0.980   0.074  -0.358  1.00  0.00           C  
HETATM   19  C   UNL     1       1.237  -1.356  -0.554  1.00  0.00           C  
HETATM   20  O   UNL     1       0.333  -2.121  -0.834  1.00  0.00           O  
HETATM   21  N   UNL     1       2.505  -1.803  -0.416  1.00  0.00           N  
HETATM   22  C   UNL     1       2.792  -3.226  -0.612  1.00  0.00           C  
HETATM   23  C   UNL     1       3.506  -0.963  -0.112  1.00  0.00           C  
HETATM   24  O   UNL     1       4.630  -1.414   0.001  1.00  0.00           O  
HETATM   25  H   UNL     1       4.580   1.250   1.499  1.00  0.00           H  
HETATM   26  H   UNL     1       5.368   0.791  -0.030  1.00  0.00           H  
HETATM   27  H   UNL     1       4.295   2.210   0.027  1.00  0.00           H  
HETATM   28  H   UNL     1       1.288   4.661   0.459  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.360   4.529   0.160  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.586   1.921  -0.122  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.865   3.502   0.264  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.922   2.302  -2.428  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.931   3.511  -1.893  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.246   0.015  -2.945  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.178  -1.403  -3.498  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.497  -2.448  -1.703  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.893  -2.081   0.653  1.00  0.00           H  
HETATM   38  H   UNL     1       3.859  -3.404  -0.472  1.00  0.00           H  
HETATM   39  H   UNL     1       2.227  -3.814   0.111  1.00  0.00           H  
HETATM   40  H   UNL     1       2.505  -3.519  -1.622  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2   23    1    3                                            
CONECT    3    2   18   18    4                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    7    6                                       
CONECT    6    5   28   29                                            
CONECT    7   10   10    5    8                                       
CONECT    8    7    9   30   31                                       
CONECT    9    8   32   33                                            
CONECT   10   18   11    7    7                                       
CONECT   11   12   10   16   16                                       
CONECT   12   13   13   11   34                                       
CONECT   13   12   12   14   35                                       
CONECT   14   13   15   15   36                                       
CONECT   15   14   14   16   37                                       
CONECT   16   11   11   15   17                                       
CONECT   17   16                                                      
CONECT   18   19    3    3   10                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   23   19                                            
CONECT   22   21   38   39   40                                       
CONECT   23   24   24   21    2                                       
CONECT   24   23   23                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
