COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.702   0.766   0.593  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.816  -0.248   0.538  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.323   1.890   0.861  1.00  0.00           O  
HETATM    4  C   UNL     1       0.552   0.008   0.690  1.00  0.00           C  
HETATM    5  N   UNL     1       1.350   2.209   0.009  1.00  0.00           N  
HETATM    6  O   UNL     1       1.093   1.727   2.163  1.00  0.00           O  
HETATM    7  C   UNL     1       1.014   1.364   1.004  1.00  0.00           C  
HETATM    8  C   UNL     1       1.917   3.531   0.309  1.00  0.00           C  
HETATM    9  C   UNL     1       3.235   3.687  -0.456  1.00  0.00           C  
HETATM   10  C   UNL     1       2.990   3.431  -1.945  1.00  0.00           C  
HETATM   11  C   UNL     1       2.483   2.001  -2.142  1.00  0.00           C  
HETATM   12  C   UNL     1       1.162   1.824  -1.396  1.00  0.00           C  
HETATM   13  C   UNL     1       1.450  -0.998   0.546  1.00  0.00           C  
HETATM   14  C   UNL     1       2.890  -0.711   0.608  1.00  0.00           C  
HETATM   15  C   UNL     1       3.722  -1.033  -0.477  1.00  0.00           C  
HETATM   16  C   UNL     1       5.078  -0.758  -0.407  1.00  0.00           C  
HETATM   17  C   UNL     1       5.609  -0.170   0.726  1.00  0.00           C  
HETATM   18  C   UNL     1       4.793   0.149   1.799  1.00  0.00           C  
HETATM   19  C   UNL     1       3.440  -0.111   1.745  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.133   0.513   0.322  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.053   1.562   0.379  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.387   1.319   0.125  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.814   0.040  -0.185  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.907  -1.004  -0.243  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.569  -0.774   0.004  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.247  -0.213  -0.456  1.00  0.00           N1+
HETATM   27  O   UNL     1      -7.626  -1.339  -0.729  1.00  0.00           O1-
HETATM   28  C   UNL     1       4.120  -2.011  -2.605  1.00  0.00           C  
HETATM   29  O   UNL     1      -8.047   0.703  -0.405  1.00  0.00           O  
HETATM   30  O   UNL     1       3.200  -1.611  -1.588  1.00  0.00           O  
HETATM   31 BR   UNL     1       0.850  -2.769   0.266  1.00  0.00          Br  
HETATM   32  H   UNL     1      -1.127  -1.156   0.393  1.00  0.00           H  
HETATM   33  H   UNL     1       1.219   4.307  -0.003  1.00  0.00           H  
HETATM   34  H   UNL     1       2.102   3.615   1.380  1.00  0.00           H  
HETATM   35  H   UNL     1       3.618   4.698  -0.319  1.00  0.00           H  
HETATM   36  H   UNL     1       3.963   2.968  -0.078  1.00  0.00           H  
HETATM   37  H   UNL     1       2.243   4.135  -2.313  1.00  0.00           H  
HETATM   38  H   UNL     1       3.920   3.567  -2.497  1.00  0.00           H  
HETATM   39  H   UNL     1       2.330   1.812  -3.205  1.00  0.00           H  
HETATM   40  H   UNL     1       3.217   1.298  -1.749  1.00  0.00           H  
HETATM   41  H   UNL     1       0.848   0.781  -1.451  1.00  0.00           H  
HETATM   42  H   UNL     1       0.400   2.461  -1.845  1.00  0.00           H  
HETATM   43  H   UNL     1       5.721  -1.004  -1.239  1.00  0.00           H  
HETATM   44  H   UNL     1       6.667   0.041   0.775  1.00  0.00           H  
HETATM   45  H   UNL     1       5.218   0.607   2.679  1.00  0.00           H  
HETATM   46  H   UNL     1       2.807   0.144   2.582  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.721   2.560   0.621  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.100   2.129   0.169  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.247  -2.000  -0.485  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.862  -1.588  -0.047  1.00  0.00           H  
HETATM   51  H   UNL     1       4.770  -2.796  -2.219  1.00  0.00           H  
HETATM   52  H   UNL     1       3.569  -2.386  -3.467  1.00  0.00           H  
HETATM   53  H   UNL     1       4.725  -1.154  -2.905  1.00  0.00           H  
CONECT    1    3    3    2   20                                       
CONECT    2    4    1   32                                            
CONECT    3    1    1                                                 
CONECT    4   13   13    7    2                                       
CONECT    5   12    8    7                                            
CONECT    6    7    7                                                 
CONECT    7    5    4    6    6                                       
CONECT    8    9    5   33   34                                       
CONECT    9   10    8   35   36                                       
CONECT   10   11    9   37   38                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11    5   41   42                                       
CONECT   13   31   14    4    4                                       
CONECT   14   15   13   19   19                                       
CONECT   15   30   16   16   14                                       
CONECT   16   15   15   17   43                                       
CONECT   17   16   18   18   44                                       
CONECT   18   17   17   19   45                                       
CONECT   19   14   14   18   46                                       
CONECT   20    1   21   21   25                                       
CONECT   21   20   20   22   47                                       
CONECT   22   21   23   23   48                                       
CONECT   23   22   22   24   26                                       
CONECT   24   25   25   23   49                                       
CONECT   25   20   24   24   50                                       
CONECT   26   23   29   29   27                                       
CONECT   27   26                                                      
CONECT   28   30   51   52   53                                       
CONECT   29   26   26                                                 
CONECT   30   28   15                                                 
CONECT   31   13                                                      
CONECT   32    2                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
