COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.998  -0.643   0.041  1.00  0.00           C  
HETATM    2  C   UNL     1       6.064   0.536  -0.712  1.00  0.00           C  
HETATM    3  C   UNL     1       4.924   1.213  -1.038  1.00  0.00           C  
HETATM    4  C   UNL     1       3.686   0.738  -0.624  1.00  0.00           C  
HETATM    5  C   UNL     1       3.601  -0.446   0.134  1.00  0.00           C  
HETATM    6  C   UNL     1       4.768  -1.138   0.460  1.00  0.00           C  
HETATM    7  C   UNL     1       7.240  -1.367   0.387  1.00  0.00           C  
HETATM    8  N   UNL     1       7.180  -2.488   1.103  1.00  0.00           N  
HETATM    9  N   UNL     1       8.419  -0.897  -0.018  1.00  0.00           N1+
HETATM   10  N   UNL     1       2.391   1.182  -0.788  1.00  0.00           N  
HETATM   11  N   UNL     1       2.287  -0.664   0.391  1.00  0.00           N  
HETATM   12  C   UNL     1       1.570   0.291  -0.149  1.00  0.00           C  
HETATM   13  C   UNL     1       0.098   0.392  -0.079  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.690  -0.755  -0.197  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.063  -0.655  -0.131  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.912  -1.894  -0.258  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.829  -1.754  -1.446  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.765  -2.557  -2.363  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.634  -0.839  -1.491  1.00  0.00           O1-
HETATM   20  C   UNL     1      -3.747  -2.073   1.012  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.503  -3.375   0.936  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.379  -4.125  -0.087  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.266  -3.726   1.896  1.00  0.00           O1-
HETATM   24  C   UNL     1      -2.666   0.578   0.052  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.897   1.720   0.170  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.514   1.636   0.111  1.00  0.00           C  
HETATM   27  O   UNL     1       0.242   2.758   0.227  1.00  0.00           O1-
HETATM   28 BR   UNL     1      -2.732   3.399   0.420  1.00  0.00          Br  
HETATM   29  H   UNL     1       7.023   0.912  -1.037  1.00  0.00           H  
HETATM   30  H   UNL     1       4.986   2.122  -1.619  1.00  0.00           H  
HETATM   31  H   UNL     1       4.716  -2.050   1.037  1.00  0.00           H  
HETATM   32  H   UNL     1       7.995  -2.963   1.330  1.00  0.00           H  
HETATM   33  H   UNL     1       6.321  -2.830   1.398  1.00  0.00           H  
HETATM   34  H   UNL     1       8.463  -0.081  -0.540  1.00  0.00           H  
HETATM   35  H   UNL     1       9.234  -1.370   0.212  1.00  0.00           H  
HETATM   36  H   UNL     1       2.113   1.978  -1.268  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.224  -1.718  -0.340  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.269  -2.763  -0.396  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.089  -2.085   1.880  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.453  -1.248   1.102  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.743   0.647   0.103  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   31                                       
CONECT    7    1    8    9    9                                       
CONECT    8    7   32   33                                            
CONECT    9    7    7   34   35                                       
CONECT   10    4   12   36                                            
CONECT   11    5   12   12                                            
CONECT   12   10   11   11   13                                       
CONECT   13   12   14   14   26                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   24   24                                       
CONECT   16   15   17   20   38                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17                                                      
CONECT   20   16   21   39   40                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21                                                      
CONECT   24   15   15   25   41                                       
CONECT   25   24   26   26   28                                       
CONECT   26   13   25   25   27                                       
CONECT   27   26                                                      
CONECT   28   25                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
