COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.128  -0.963   0.544  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.475  -0.993  -0.267  1.00  0.00           C  
HETATM    3  C   UNL     1       1.147  -1.835  -0.215  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.041  -0.871  -0.225  1.00  0.00           C  
HETATM    5  C   UNL     1       3.564  -1.963  -0.176  1.00  0.00           C  
HETATM    6  C   UNL     1       4.828  -1.142  -0.146  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.284   0.279  -0.045  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.227   0.867  -0.716  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.012   0.214  -0.800  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.853  -1.033  -0.210  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.915  -1.618   0.468  1.00  0.00           C  
HETATM   12  C   UNL     1       5.276  -0.601   1.051  1.00  0.00           C  
HETATM   13  C   UNL     1       6.440   0.153   1.076  1.00  0.00           C  
HETATM   14  C   UNL     1       7.149   0.366  -0.091  1.00  0.00           C  
HETATM   15  C   UNL     1       6.700  -0.174  -1.283  1.00  0.00           C  
HETATM   16  C   UNL     1       5.543  -0.931  -1.309  1.00  0.00           C  
HETATM   17  N   UNL     1      -8.797   2.041   1.432  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.624  -1.697  -0.294  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.291  -1.636  -0.254  1.00  0.00           N  
HETATM   20  N   UNL     1       2.399  -1.068  -0.186  1.00  0.00           N  
HETATM   21  O   UNL     1      -8.874   2.019  -1.035  1.00  0.00           O  
HETATM   22  O   UNL     1      -9.814   0.111   0.278  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.506   0.222  -0.255  1.00  0.00           O  
HETATM   24  O   UNL     1       4.576  -0.811   2.197  1.00  0.00           O  
HETATM   25  S   UNL     1      -8.832   1.114   0.060  1.00  0.00           S  
HETATM   26 BR   UNL     1       8.736   1.394  -0.058  1.00  0.00          Br  
HETATM   27  H   UNL     1      -7.956  -1.419   1.067  1.00  0.00           H  
HETATM   28  H   UNL     1       1.090  -2.473   0.667  1.00  0.00           H  
HETATM   29  H   UNL     1       1.120  -2.453  -1.113  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.015  -0.253   0.672  1.00  0.00           H  
HETATM   31  H   UNL     1       0.015  -0.234  -1.107  1.00  0.00           H  
HETATM   32  H   UNL     1       3.555  -2.582  -1.073  1.00  0.00           H  
HETATM   33  H   UNL     1       3.525  -2.601   0.707  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.351   1.836  -1.174  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.187   0.673  -1.324  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.794  -2.587   0.928  1.00  0.00           H  
HETATM   37  H   UNL     1       6.790   0.575   2.006  1.00  0.00           H  
HETATM   38  H   UNL     1       7.255  -0.007  -2.194  1.00  0.00           H  
HETATM   39  H   UNL     1       5.194  -1.352  -2.240  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.302   2.868   1.472  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.270   1.757   2.196  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.599  -2.663  -0.372  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.265  -2.606  -0.264  1.00  0.00           H  
HETATM   44  H   UNL     1       2.420  -0.439   0.603  1.00  0.00           H  
HETATM   45  H   UNL     1       4.844  -1.603   2.682  1.00  0.00           H  
CONECT    1   11    7    7   27                                       
CONECT    2   19   23   23   18                                       
CONECT    3   20    4   28   29                                       
CONECT    4    3   19   30   31                                       
CONECT    5    6   20   32   33                                       
CONECT    6   12   12   16    5                                       
CONECT    7    1    1    8   25                                       
CONECT    8    9    9    7   34                                       
CONECT    9   10    8    8   35                                       
CONECT   10   18   11   11    9                                       
CONECT   11   10   10    1   36                                       
CONECT   12   13   24    6    6                                       
CONECT   13   14   14   12   37                                       
CONECT   14   26   13   13   15                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15    6   39                                       
CONECT   17   25   40   41                                            
CONECT   18    2   10   42                                            
CONECT   19    4    2   43                                            
CONECT   20    5    3   44                                            
CONECT   21   25   25                                                 
CONECT   22   25   25                                                 
CONECT   23    2    2                                                 
CONECT   24   12   45                                                 
CONECT   25    7   17   21   21                                       
CONECT   25   22   22                                                 
CONECT   26   14                                                      
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
