COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.420  -0.720   1.369  1.00  0.00           C  
HETATM    2  C   UNL     1       1.336  -2.546   0.090  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.027  -2.803  -0.518  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.820  -1.562  -0.177  1.00  0.00           C  
HETATM    5  C   UNL     1       0.036  -0.735   0.538  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.734   0.880   0.724  1.00  0.00           C  
HETATM    7  C   UNL     1       4.394  -0.428  -0.142  1.00  0.00           C  
HETATM    8  C   UNL     1       4.720   1.584  -1.403  1.00  0.00           C  
HETATM    9 BR   UNL     1      -4.356   0.581  -0.348  1.00  0.00          Br  
HETATM   10  C   UNL     1      -2.578   0.047   0.010  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.116  -1.178  -0.440  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.628  -3.958   0.069  1.00  0.00           O  
HETATM   13  O   UNL     1       2.292  -3.292   0.054  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.436   0.497   0.988  1.00  0.00           C  
HETATM   15  N   UNL     1       1.288  -1.336   0.671  1.00  0.00           N  
HETATM   16  C   UNL     1       3.230   0.092   0.392  1.00  0.00           C  
HETATM   17  C   UNL     1       5.138   0.317  -1.038  1.00  0.00           C  
HETATM   18  C   UNL     1       3.557   2.108  -0.873  1.00  0.00           C  
HETATM   19  C   UNL     1       2.809   1.362   0.027  1.00  0.00           C  
HETATM   20  O   UNL     1       1.664   1.876   0.550  1.00  0.00           O  
HETATM   21  C   UNL     1       1.291   3.189   0.130  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.014   3.594   0.819  1.00  0.00           C  
HETATM   23  H   UNL     1       2.048  -0.071   2.161  1.00  0.00           H  
HETATM   24  H   UNL     1       3.047  -1.499   1.802  1.00  0.00           H  
HETATM   25  H   UNL     1       0.053  -2.920  -1.599  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.094   1.836   1.076  1.00  0.00           H  
HETATM   27  H   UNL     1       4.725  -1.415   0.145  1.00  0.00           H  
HETATM   28  H   UNL     1       5.303   2.164  -2.103  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.771  -1.831  -0.998  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.159  -4.783  -0.117  1.00  0.00           H  
HETATM   31  H   UNL     1       0.217   1.153   1.546  1.00  0.00           H  
HETATM   32  H   UNL     1       6.047  -0.091  -1.454  1.00  0.00           H  
HETATM   33  H   UNL     1       3.230   3.097  -1.158  1.00  0.00           H  
HETATM   34  H   UNL     1       2.078   3.894   0.398  1.00  0.00           H  
HETATM   35  H   UNL     1       1.149   3.198  -0.951  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.801   2.889   0.550  1.00  0.00           H  
HETATM   37  H   UNL     1       0.128   3.585   1.900  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.299   4.596   0.498  1.00  0.00           H  
CONECT    1   15   16   23   24                                       
CONECT    2    3   13   13   15                                       
CONECT    3   12    4    2   25                                       
CONECT    4   11    3    5    5                                       
CONECT    5    4    4   14   15                                       
CONECT    6   10   14   14   26                                       
CONECT    7   17   17   16   27                                       
CONECT    8   17   18   18   28                                       
CONECT    9   10                                                      
CONECT   10    9   11   11    6                                       
CONECT   11   10   10    4   29                                       
CONECT   12    3   30                                                 
CONECT   13    2    2                                                 
CONECT   14    6    6    5   31                                       
CONECT   15    5    2    1                                            
CONECT   16    7    1   19   19                                       
CONECT   17    7    7    8   32                                       
CONECT   18    8    8   19   33                                       
CONECT   19   16   16   18   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   34   35                                       
CONECT   22   21   36   37   38                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
