COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.719   2.253   0.016  1.00  0.00           C  
HETATM    2  N   UNL     1       3.587   3.306   0.059  1.00  0.00           N  
HETATM    3  C   UNL     1       4.921   3.090   0.099  1.00  0.00           C  
HETATM    4  C   UNL     1       5.384   1.750   0.094  1.00  0.00           C  
HETATM    5  C   UNL     1       4.440   0.710   0.049  1.00  0.00           C  
HETATM    6  N   UNL     1       3.135   1.006   0.017  1.00  0.00           N  
HETATM    7  O   UNL     1       5.704   4.022   0.137  1.00  0.00           O  
HETATM    8  C   UNL     1       6.660   1.152   0.127  1.00  0.00           C  
HETATM    9  N   UNL     1       6.509  -0.143   0.104  1.00  0.00           N  
HETATM   10  N   UNL     1       5.145  -0.456   0.058  1.00  0.00           N  
HETATM   11  S   UNL     1       0.988   2.576  -0.035  1.00  0.00           S  
HETATM   12  C   UNL     1       4.599  -1.746   0.023  1.00  0.00           C  
HETATM   13  C   UNL     1       5.255  -2.760  -0.661  1.00  0.00           C  
HETATM   14  C   UNL     1       4.715  -4.031  -0.694  1.00  0.00           C  
HETATM   15  C   UNL     1       3.521  -4.294  -0.045  1.00  0.00           C  
HETATM   16  C   UNL     1       2.865  -3.284   0.639  1.00  0.00           C  
HETATM   17  C   UNL     1       3.404  -2.013   0.678  1.00  0.00           C  
HETATM   18  C   UNL     1       0.353   0.882  -0.080  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.153   0.910  -0.128  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.848  -0.244  -0.167  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.739   1.972  -0.132  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.246  -0.221  -0.114  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.948   0.811  -0.723  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.328   0.831  -0.669  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.011  -0.175  -0.009  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.314  -1.205   0.598  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.934  -1.233   0.542  1.00  0.00           C  
HETATM   28 BR   UNL     1      -7.900  -0.144   0.063  1.00  0.00          Br  
HETATM   29  F   UNL     1       2.994  -5.538  -0.079  1.00  0.00           F  
HETATM   30  H   UNL     1       3.245   4.214   0.061  1.00  0.00           H  
HETATM   31  H   UNL     1       7.603   1.677   0.165  1.00  0.00           H  
HETATM   32  H   UNL     1       6.187  -2.555  -1.168  1.00  0.00           H  
HETATM   33  H   UNL     1       5.225  -4.820  -1.227  1.00  0.00           H  
HETATM   34  H   UNL     1       1.934  -3.491   1.144  1.00  0.00           H  
HETATM   35  H   UNL     1       2.892  -1.225   1.212  1.00  0.00           H  
HETATM   36  H   UNL     1       0.735   0.374  -0.966  1.00  0.00           H  
HETATM   37  H   UNL     1       0.678   0.348   0.813  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.379  -1.091  -0.232  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.416   1.597  -1.237  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.875   1.634  -1.141  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.849  -1.989   1.112  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.391  -2.039   1.013  1.00  0.00           H  
CONECT    1    6    6   11    2                                       
CONECT    2    1    3   30                                            
CONECT    3    4    2    7    7                                       
CONECT    4    5    5    8    3                                       
CONECT    5   10    6    4    4                                       
CONECT    6    5    1    1                                            
CONECT    7    3    3                                                 
CONECT    8    9    9    4   31                                       
CONECT    9   10    8    8                                            
CONECT   10   12    9    5                                            
CONECT   11    1   18                                                 
CONECT   12   13   13   17   10                                       
CONECT   13   14   12   12   32                                       
CONECT   14   15   15   13   33                                       
CONECT   15   29   14   14   16                                       
CONECT   16   15   17   17   34                                       
CONECT   17   16   16   12   35                                       
CONECT   18   19   11   36   37                                       
CONECT   19   21   21   20   18                                       
CONECT   20   19   22   38                                            
CONECT   21   19   19                                                 
CONECT   22   20   27   27   23                                       
CONECT   23   22   24   24   39                                       
CONECT   24   23   23   25   40                                       
CONECT   25   26   26   24   28                                       
CONECT   26   27   25   25   41                                       
CONECT   27   22   22   26   42                                       
CONECT   28   25                                                      
CONECT   29   15                                                      
CONECT   30    2                                                      
CONECT   31    8                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
