COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.325   0.207  -1.428  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.133  -0.982  -0.722  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.107  -1.418   0.178  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.252  -0.672   0.366  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.436   0.506  -0.337  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.285  -1.133   1.320  1.00  0.00           N1+
HETATM    7  O   UNL     1      -4.124  -2.170   1.939  1.00  0.00           O1-
HETATM    8  C   UNL     1       0.096  -1.777  -0.928  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.474   0.944  -1.231  1.00  0.00           C  
HETATM   10 BR   UNL     1      -5.009   1.522  -0.075  1.00  0.00          Br  
HETATM   11  O   UNL     1      -5.297  -0.475   1.487  1.00  0.00           O  
HETATM   12  O   UNL     1       0.037  -2.991  -0.961  1.00  0.00           O  
HETATM   13  N   UNL     1       1.283  -1.156  -1.080  1.00  0.00           N  
HETATM   14  C   UNL     1       2.495  -1.917  -1.417  1.00  0.00           C  
HETATM   15  C   UNL     1       1.398   0.301  -0.918  1.00  0.00           C  
HETATM   16  C   UNL     1       3.600  -1.537  -0.425  1.00  0.00           C  
HETATM   17  C   UNL     1       2.542   0.593   0.059  1.00  0.00           C  
HETATM   18  N   UNL     1       3.765  -0.078  -0.417  1.00  0.00           N  
HETATM   19  C   UNL     1       4.872   0.297   0.352  1.00  0.00           C  
HETATM   20  C   UNL     1       4.929  -0.036   1.698  1.00  0.00           C  
HETATM   21  C   UNL     1       6.024   0.335   2.454  1.00  0.00           C  
HETATM   22  C   UNL     1       7.063   1.038   1.873  1.00  0.00           C  
HETATM   23  C   UNL     1       7.011   1.372   0.532  1.00  0.00           C  
HETATM   24  C   UNL     1       5.921   0.999  -0.233  1.00  0.00           C  
HETATM   25  F   UNL     1       5.872   1.320  -1.544  1.00  0.00           F  
HETATM   26  H   UNL     1      -0.573   0.552  -2.122  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.964  -2.338   0.726  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.621   1.867  -1.773  1.00  0.00           H  
HETATM   29  H   UNL     1       2.289  -2.985  -1.344  1.00  0.00           H  
HETATM   30  H   UNL     1       2.812  -1.671  -2.430  1.00  0.00           H  
HETATM   31  H   UNL     1       1.614   0.761  -1.883  1.00  0.00           H  
HETATM   32  H   UNL     1       0.465   0.701  -0.520  1.00  0.00           H  
HETATM   33  H   UNL     1       3.326  -1.878   0.573  1.00  0.00           H  
HETATM   34  H   UNL     1       4.536  -2.007  -0.726  1.00  0.00           H  
HETATM   35  H   UNL     1       2.714   1.669   0.106  1.00  0.00           H  
HETATM   36  H   UNL     1       2.277   0.224   1.050  1.00  0.00           H  
HETATM   37  H   UNL     1       4.118  -0.584   2.154  1.00  0.00           H  
HETATM   38  H   UNL     1       6.068   0.076   3.502  1.00  0.00           H  
HETATM   39  H   UNL     1       7.917   1.327   2.467  1.00  0.00           H  
HETATM   40  H   UNL     1       7.824   1.921   0.080  1.00  0.00           H  
CONECT    1    2    9    9   26                                       
CONECT    2    8    3    3    1                                       
CONECT    3    2    2    4   27                                       
CONECT    4    3    6    5    5                                       
CONECT    5    4    4    9   10                                       
CONECT    6   11   11    4    7                                       
CONECT    7    6                                                      
CONECT    8   13   12   12    2                                       
CONECT    9    1    1    5   28                                       
CONECT   10    5                                                      
CONECT   11    6    6                                                 
CONECT   12    8    8                                                 
CONECT   13   14   15    8                                            
CONECT   14   16   13   29   30                                       
CONECT   15   13   17   31   32                                       
CONECT   16   14   18   33   34                                       
CONECT   17   18   15   35   36                                       
CONECT   18   16   19   17                                            
CONECT   19   20   18   24   24                                       
CONECT   20   21   21   19   37                                       
CONECT   21   20   20   22   38                                       
CONECT   22   21   23   23   39                                       
CONECT   23   22   22   24   40                                       
CONECT   24   19   19   23   25                                       
CONECT   25   24                                                      
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    9                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
