COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.309   0.016  -0.415  1.00  0.00           C  
HETATM    2  C   UNL     1       4.363   1.580   1.061  1.00  0.00           C  
HETATM    3  C   UNL     1       4.828  -0.760   1.265  1.00  0.00           C  
HETATM    4 BR   UNL     1      -3.756  -0.268   0.638  1.00  0.00          Br  
HETATM    5  C   UNL     1      -2.220   0.593  -0.051  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.228   1.958  -0.267  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.106   2.592  -0.771  1.00  0.00           C  
HETATM    8  C   UNL     1       0.032   1.866  -1.063  1.00  0.00           C  
HETATM    9  C   UNL     1       0.051   0.496  -0.850  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.079  -0.143  -0.337  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.762  -1.495  -0.227  1.00  0.00           N  
HETATM   12  C   UNL     1       0.505  -1.669  -0.649  1.00  0.00           C  
HETATM   13  O   UNL     1       1.092  -2.734  -0.683  1.00  0.00           O  
HETATM   14  N   UNL     1       1.019  -0.487  -1.039  1.00  0.00           N  
HETATM   15  C   UNL     1       2.371  -0.270  -1.559  1.00  0.00           C  
HETATM   16  C   UNL     1       3.507   1.317   0.007  1.00  0.00           C  
HETATM   17  C   UNL     1       5.021   0.541   1.692  1.00  0.00           C  
HETATM   18  C   UNL     1       3.968  -1.023   0.215  1.00  0.00           C  
HETATM   19  H   UNL     1       4.513   2.596   1.394  1.00  0.00           H  
HETATM   20  H   UNL     1       5.343  -1.572   1.758  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.115   2.532  -0.042  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.120   3.659  -0.938  1.00  0.00           H  
HETATM   23  H   UNL     1       0.906   2.365  -1.457  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.352  -2.193   0.098  1.00  0.00           H  
HETATM   25  H   UNL     1       2.365   0.577  -2.245  1.00  0.00           H  
HETATM   26  H   UNL     1       2.705  -1.163  -2.088  1.00  0.00           H  
HETATM   27  H   UNL     1       2.992   2.129  -0.485  1.00  0.00           H  
HETATM   28  H   UNL     1       5.690   0.746   2.514  1.00  0.00           H  
HETATM   29  H   UNL     1       3.810  -2.040  -0.112  1.00  0.00           H  
CONECT    1   16   16   18   15                                       
CONECT    2   17   17   16   19                                       
CONECT    3   17   18   18   20                                       
CONECT    4    5                                                      
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   21                                       
CONECT    7    6    8    8   22                                       
CONECT    8    7    7    9   23                                       
CONECT    9   10   10    8   14                                       
CONECT   10    5   11    9    9                                       
CONECT   11   10   12   24                                            
CONECT   12   11   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14    9   12   15                                            
CONECT   15   14    1   25   26                                       
CONECT   16    2    1    1   27                                       
CONECT   17    2    2    3   28                                       
CONECT   18    3    3    1   29                                       
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24   11                                                      
CONECT   25   15                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
