COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.680   0.943  -0.068  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.713   1.899  -0.140  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.321   0.239  -0.005  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.011  -2.539  -0.678  1.00  0.00           O  
HETATM    5  O   UNL     1       0.961  -1.332   0.911  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.069   0.520  -0.015  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.734   0.866  -0.046  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.900  -1.180   0.130  1.00  0.00           C  
HETATM    9  C   UNL     1       0.579   1.685  -0.130  1.00  0.00           C  
HETATM   10  C   UNL     1       1.942   1.104  -0.089  1.00  0.00           C  
HETATM   11  C   UNL     1       2.251  -0.010  -0.868  1.00  0.00           C  
HETATM   12  C   UNL     1       3.522  -0.547  -0.826  1.00  0.00           C  
HETATM   13  C   UNL     1       4.488   0.018  -0.012  1.00  0.00           C  
HETATM   14  C   UNL     1       4.186   1.123   0.764  1.00  0.00           C  
HETATM   15  C   UNL     1       2.920   1.672   0.725  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.440  -0.808   0.096  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.357  -0.769   0.082  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.009  -0.424   0.046  1.00  0.00           C  
HETATM   19  C   UNL     1       0.045  -1.458   0.124  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.757  -0.126   0.029  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.137  -1.463   0.135  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.475  -1.797   0.176  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.980   1.513  -0.106  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.107   3.125  -0.239  1.00  0.00           N  
HETATM   25  N   UNL     1       0.281   2.959  -0.230  1.00  0.00           N  
HETATM   26 BR   UNL     1       6.227  -0.724   0.041  1.00  0.00          Br  
HETATM   27  H   UNL     1       0.701  -3.188  -0.590  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.826   1.288  -0.072  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.445   1.903  -0.129  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.250  -1.185   1.162  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.473  -0.453  -0.445  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.033  -2.171  -0.303  1.00  0.00           H  
HETATM   33  H   UNL     1       1.498  -0.452  -1.504  1.00  0.00           H  
HETATM   34  H   UNL     1       3.763  -1.410  -1.430  1.00  0.00           H  
HETATM   35  H   UNL     1       4.943   1.560   1.399  1.00  0.00           H  
HETATM   36  H   UNL     1       2.686   2.535   1.331  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.654  -1.804   0.165  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.385  -2.236   0.194  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.770  -2.832   0.263  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.570   3.975  -0.305  1.00  0.00           H  
CONECT    1   18   18    2    9                                       
CONECT    2   23   23    1   24                                       
CONECT    3   20   17   17   23                                       
CONECT    4   19   27                                                 
CONECT    5   19   19                                                 
CONECT    6   16    7    7   28                                       
CONECT    7    6    6   20   29                                       
CONECT    8   16   30   31   32                                       
CONECT    9    1   10   25   25                                       
CONECT   10   15    9   11   11                                       
CONECT   11   10   10   12   33                                       
CONECT   12   13   13   11   34                                       
CONECT   13   14   26   12   12                                       
CONECT   14   15   15   13   35                                       
CONECT   15   14   14   10   36                                       
CONECT   16    8   22   22    6                                       
CONECT   17    3    3   18   37                                       
CONECT   18   17   19    1    1                                       
CONECT   19    5    5   18    4                                       
CONECT   20   21   21    7    3                                       
CONECT   21   22   20   20   38                                       
CONECT   22   16   16   21   39                                       
CONECT   23    3    2    2                                            
CONECT   24    2   25   40                                            
CONECT   25    9    9   24                                            
CONECT   26   13                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
