COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.025   5.175  -0.867  1.00  0.00           C  
HETATM    2  C   UNL     1       0.447   6.099   0.048  1.00  0.00           C  
HETATM    3  C   UNL     1       1.228   5.693   1.113  1.00  0.00           C  
HETATM    4  C   UNL     1       1.544   4.346   1.271  1.00  0.00           C  
HETATM    5  C   UNL     1       1.063   3.405   0.340  1.00  0.00           C  
HETATM    6  C   UNL     1       1.389   1.973   0.494  1.00  0.00           C  
HETATM    7  O   UNL     1       2.074   1.603   1.427  1.00  0.00           O  
HETATM    8  C   UNL     1       2.424  -0.738  -0.762  1.00  0.00           C  
HETATM    9  C   UNL     1       1.263  -0.225  -0.198  1.00  0.00           C  
HETATM   10  C   UNL     1       2.763  -2.061  -0.557  1.00  0.00           C  
HETATM   11  N   UNL     1       2.996   3.582   3.248  1.00  0.00           N  
HETATM   12  C   UNL     1       2.354   3.920   2.373  1.00  0.00           C  
HETATM   13  C   UNL     1       0.277   3.834  -0.727  1.00  0.00           C  
HETATM   14  O   UNL     1       0.926   1.077  -0.399  1.00  0.00           O  
HETATM   15  C   UNL     1       0.448  -1.043   0.569  1.00  0.00           C  
HETATM   16  C   UNL     1       0.791  -2.366   0.772  1.00  0.00           C  
HETATM   17  C   UNL     1       1.948  -2.875   0.209  1.00  0.00           C  
HETATM   18 BR   UNL     1       2.415  -4.686   0.488  1.00  0.00          Br  
HETATM   19 BR   UNL     1       3.534   0.372  -1.816  1.00  0.00          Br  
HETATM   20  C   UNL     1      -0.813  -0.489   1.183  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.871  -0.447   0.170  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.095   0.016   0.494  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.321   0.398   1.625  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.162   0.059  -0.528  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.952   0.729  -1.734  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.952   0.765  -2.683  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.162   0.139  -2.442  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.378  -0.527  -1.248  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.383  -0.575  -0.293  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.613  -1.293   0.981  1.00  0.00           N1+
HETATM   31  O   UNL     1      -4.698  -1.438   1.772  1.00  0.00           O1-
HETATM   32  O   UNL     1      -6.717  -1.739   1.238  1.00  0.00           O  
HETATM   33  H   UNL     1      -0.639   5.503  -1.693  1.00  0.00           H  
HETATM   34  H   UNL     1       0.205   7.145  -0.072  1.00  0.00           H  
HETATM   35  H   UNL     1       1.594   6.421   1.823  1.00  0.00           H  
HETATM   36  H   UNL     1       3.666  -2.461  -0.996  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.099   3.118  -1.443  1.00  0.00           H  
HETATM   38  H   UNL     1       0.157  -3.003   1.370  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.126  -1.128   2.009  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.624   0.518   1.554  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.690  -0.751  -0.733  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.008   1.219  -1.924  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.790   1.283  -3.617  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.942   0.170  -3.188  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.324  -1.013  -1.066  1.00  0.00           H  
CONECT    1    2    2   13   33                                       
CONECT    2    1    1    3   34                                       
CONECT    3    2    4    4   35                                       
CONECT    4    3    3    5   12                                       
CONECT    5   13   13    4    6                                       
CONECT    6    5    7    7   14                                       
CONECT    7    6    6                                                 
CONECT    8    9   19   10   10                                       
CONECT    9   14   15   15    8                                       
CONECT   10    8    8   17   36                                       
CONECT   11   12   12   12                                            
CONECT   12    4   11   11   11                                       
CONECT   13    1    5    5   37                                       
CONECT   14    6    9                                                 
CONECT   15   20    9    9   16                                       
CONECT   16   15   17   17   38                                       
CONECT   17   16   16   10   18                                       
CONECT   18   17                                                      
CONECT   19    8                                                      
CONECT   20   21   15   39   40                                       
CONECT   21   20   22   41                                            
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   25   22   29   29                                       
CONECT   25   26   26   24   42                                       
CONECT   26   25   25   27   43                                       
CONECT   27   26   28   28   44                                       
CONECT   28   27   27   29   45                                       
CONECT   29   24   24   28   30                                       
CONECT   30   29   32   32   31                                       
CONECT   31   30                                                      
CONECT   32   30   30                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   16                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
