COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.904   2.004  -0.077  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.767  -0.773   0.028  1.00  0.00           C  
HETATM    3  C   UNL     1       2.318   1.738   0.384  1.00  0.00           C  
HETATM    4  C   UNL     1       3.835  -0.578   0.347  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.931   0.813  -0.388  1.00  0.00           C  
HETATM    6  C   UNL     1       4.021   0.396  -0.632  1.00  0.00           C  
HETATM    7  C   UNL     1       3.262   1.549  -0.609  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.794  -0.756   0.941  1.00  0.00           C  
HETATM    9  C   UNL     1       2.887  -0.378   1.349  1.00  0.00           C  
HETATM   10  C   UNL     1       2.133   0.778   1.362  1.00  0.00           C  
HETATM   11  C   UNL     1       4.647  -1.819   0.326  1.00  0.00           C  
HETATM   12  C   UNL     1       5.044   0.187  -1.719  1.00  0.00           C  
HETATM   13  C   UNL     1       6.038  -1.745   0.348  1.00  0.00           C  
HETATM   14  C   UNL     1       4.021  -3.064   0.291  1.00  0.00           C  
HETATM   15  C   UNL     1       4.469  -0.743  -2.789  1.00  0.00           C  
HETATM   16  C   UNL     1       6.788  -2.904   0.329  1.00  0.00           C  
HETATM   17  C   UNL     1       4.781  -4.215   0.273  1.00  0.00           C  
HETATM   18  C   UNL     1       6.162  -4.136   0.288  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.007   2.922  -0.490  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.009   1.764  -0.810  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.823   0.104   0.692  1.00  0.00           N  
HETATM   22  O   UNL     1       0.920   3.386   1.750  1.00  0.00           O  
HETATM   23  O   UNL     1       2.100   4.192  -0.300  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.713   1.389   0.954  1.00  0.00           O  
HETATM   25  S   UNL     1       1.354   3.213   0.408  1.00  0.00           S  
HETATM   26  S   UNL     1      -4.370   0.409  -1.217  1.00  0.00           S  
HETATM   27 BR   UNL     1      -6.301  -1.879   0.060  1.00  0.00          Br  
HETATM   28  H   UNL     1       3.405   2.304  -1.368  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.800  -1.393   1.813  1.00  0.00           H  
HETATM   30  H   UNL     1       2.741  -1.128   2.113  1.00  0.00           H  
HETATM   31  H   UNL     1       1.398   0.933   2.138  1.00  0.00           H  
HETATM   32  H   UNL     1       5.296   1.147  -2.170  1.00  0.00           H  
HETATM   33  H   UNL     1       5.941  -0.261  -1.292  1.00  0.00           H  
HETATM   34  H   UNL     1       6.528  -0.784   0.379  1.00  0.00           H  
HETATM   35  H   UNL     1       2.943  -3.127   0.280  1.00  0.00           H  
HETATM   36  H   UNL     1       4.280  -1.724  -2.354  1.00  0.00           H  
HETATM   37  H   UNL     1       3.535  -0.328  -3.168  1.00  0.00           H  
HETATM   38  H   UNL     1       5.182  -0.839  -3.608  1.00  0.00           H  
HETATM   39  H   UNL     1       7.867  -2.847   0.345  1.00  0.00           H  
HETATM   40  H   UNL     1       4.297  -5.181   0.245  1.00  0.00           H  
HETATM   41  H   UNL     1       6.753  -5.040   0.272  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.160   3.413  -1.312  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.161   2.255  -1.633  1.00  0.00           H  
CONECT    1   20   19   24   24                                       
CONECT    2    8    8   26   27                                       
CONECT    3   10   25    7    7                                       
CONECT    4    9   11    6    6                                       
CONECT    5   21   21   20   26                                       
CONECT    6    4    4    7   12                                       
CONECT    7    3    3    6   28                                       
CONECT    8   21    2    2   29                                       
CONECT    9   10   10    4   30                                       
CONECT   10    9    9    3   31                                       
CONECT   11   14    4   13   13                                       
CONECT   12    6   15   32   33                                       
CONECT   13   11   11   16   34                                       
CONECT   14   17   17   11   35                                       
CONECT   15   12   36   37   38                                       
CONECT   16   18   18   13   39                                       
CONECT   17   14   14   18   40                                       
CONECT   18   17   16   16   41                                       
CONECT   19    1   25   42                                            
CONECT   20    5    1   43                                            
CONECT   21    5    5    8                                            
CONECT   22   25   25                                                 
CONECT   23   25   25                                                 
CONECT   24    1    1                                                 
CONECT   25   19   23   23    3                                       
CONECT   25   22   22                                                 
CONECT   26    5    2                                                 
CONECT   27    2                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
