COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.284   0.867  -0.361  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.471  -0.420   0.107  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.475  -1.027   0.857  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.117   0.829   0.707  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.080   1.510  -0.059  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.384   2.844   0.178  1.00  0.00           C  
HETATM    7  C   UNL     1       5.238  -0.105  -2.170  1.00  0.00           C  
HETATM    8  C   UNL     1       6.605  -0.596  -1.687  1.00  0.00           C  
HETATM    9  C   UNL     1       6.410  -1.575  -0.526  1.00  0.00           C  
HETATM   10  C   UNL     1       5.633  -0.878   0.594  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.350  -0.401   1.135  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.346   1.556  -1.179  1.00  0.00           C  
HETATM   13  O   UNL     1       1.831   0.450  -0.479  1.00  0.00           O  
HETATM   14  C   UNL     1       4.294  -0.378   0.045  1.00  0.00           C  
HETATM   15  C   UNL     1       1.193   1.443   1.559  1.00  0.00           C  
HETATM   16  C   UNL     1       2.156   0.721   0.652  1.00  0.00           C  
HETATM   17  C   UNL     1       3.523   0.337   1.156  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.569   2.733  -0.348  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.057   1.701   0.839  1.00  0.00           N  
HETATM   20  N   UNL     1       4.535   0.555  -1.062  1.00  0.00           N  
HETATM   21  O   UNL     1       5.397  -1.802   1.658  1.00  0.00           O  
HETATM   22 BR   UNL     1      -5.075  -1.347  -0.272  1.00  0.00          Br  
HETATM   23  H   UNL     1      -2.625  -2.033   1.221  1.00  0.00           H  
HETATM   24  H   UNL     1       0.248   3.717   0.101  1.00  0.00           H  
HETATM   25  H   UNL     1       5.375   0.603  -2.987  1.00  0.00           H  
HETATM   26  H   UNL     1       4.650  -0.954  -2.519  1.00  0.00           H  
HETATM   27  H   UNL     1       7.120  -1.100  -2.505  1.00  0.00           H  
HETATM   28  H   UNL     1       7.199   0.254  -1.351  1.00  0.00           H  
HETATM   29  H   UNL     1       5.849  -2.443  -0.872  1.00  0.00           H  
HETATM   30  H   UNL     1       7.382  -1.895  -0.152  1.00  0.00           H  
HETATM   31  H   UNL     1       6.212  -0.033   0.967  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.184   1.344  -2.236  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.328   1.190  -0.881  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.293   2.632  -1.012  1.00  0.00           H  
HETATM   35  H   UNL     1       3.710  -1.226  -0.314  1.00  0.00           H  
HETATM   36  H   UNL     1       0.987   0.827   2.434  1.00  0.00           H  
HETATM   37  H   UNL     1       1.632   2.389   1.875  1.00  0.00           H  
HETATM   38  H   UNL     1       3.420  -0.328   2.014  1.00  0.00           H  
HETATM   39  H   UNL     1       4.065   1.235   1.455  1.00  0.00           H  
HETATM   40  H   UNL     1       5.042   1.368  -0.746  1.00  0.00           H  
HETATM   41  H   UNL     1       6.204  -2.162   2.052  1.00  0.00           H  
CONECT    1    2   12    5    5                                       
CONECT    2   22    3    3    1                                       
CONECT    3    2    2   11   23                                       
CONECT    4   11   11    5   19                                       
CONECT    5    1    1    4   18                                       
CONECT    6   19   18   18   24                                       
CONECT    7   20    8   25   26                                       
CONECT    8    7    9   27   28                                       
CONECT    9    8   10   29   30                                       
CONECT   10   14    9   21   31                                       
CONECT   11    3    4    4                                            
CONECT   12    1   32   33   34                                       
CONECT   13   16   16                                                 
CONECT   14   20   17   10   35                                       
CONECT   15   19   16   36   37                                       
CONECT   16   13   13   17   15                                       
CONECT   17   16   14   38   39                                       
CONECT   18    5    6    6                                            
CONECT   19    4   15    6                                            
CONECT   20    7   14   40                                            
CONECT   21   10   41                                                 
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
