COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.073  -2.062  -0.293  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.972  -2.694   0.979  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.028  -3.549   1.208  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.294  -4.972  -0.581  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.225  -4.123  -0.826  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.579  -5.594  -2.575  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.281   3.113   1.145  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.868   4.318   1.684  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.620   4.829   1.377  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.778   4.138   0.530  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.676   1.858  -2.034  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.291   2.176  -0.926  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.047   1.848  -0.524  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.158   1.109  -1.424  1.00  0.00           C  
HETATM   15  C   UNL     1       1.164   0.871  -0.740  1.00  0.00           C  
HETATM   16  C   UNL     1       2.245   1.682  -1.024  1.00  0.00           C  
HETATM   17  C   UNL     1       3.459   1.464  -0.397  1.00  0.00           C  
HETATM   18 BR   UNL     1       4.937   2.577  -0.788  1.00  0.00          Br  
HETATM   19  C   UNL     1       3.593   0.433   0.516  1.00  0.00           C  
HETATM   20  C   UNL     1       2.513  -0.381   0.803  1.00  0.00           C  
HETATM   21 BR   UNL     1       2.697  -1.790   2.051  1.00  0.00          Br  
HETATM   22  C   UNL     1       1.294  -0.161   0.178  1.00  0.00           C  
HETATM   23  O   UNL     1       0.229  -0.957   0.463  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.058  -2.973  -0.042  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.189  -4.685   0.431  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.345  -4.405  -1.819  1.00  0.00           O  
HETATM   27  O   UNL     1       0.863  -2.305  -1.184  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.188   2.922  -0.018  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.449   2.412   0.297  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.890   1.120  -0.274  1.00  0.00           N1+
HETATM   31  O   UNL     1      -4.113   0.445  -0.926  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.030   0.730  -0.092  1.00  0.00           O1-
HETATM   33  H   UNL     1      -1.853  -1.808   1.584  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.733  -3.333   1.997  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.427  -5.860  -1.182  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.556  -6.458  -1.910  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.554  -5.532  -3.057  1.00  0.00           H  
HETATM   38  H   UNL     1       0.196  -5.700  -3.334  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.255   2.717   1.393  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.524   4.863   2.347  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.303   5.771   1.801  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.804   4.538   0.290  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.740   2.102   0.360  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.613   0.152  -1.679  1.00  0.00           H  
HETATM   45  H   UNL     1       0.003   1.689  -2.333  1.00  0.00           H  
HETATM   46  H   UNL     1       2.143   2.487  -1.736  1.00  0.00           H  
HETATM   47  H   UNL     1       4.541   0.265   1.005  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.019  -5.350   0.617  1.00  0.00           H  
CONECT    1   23   27   27   24                                       
CONECT    2    3    3   24   33                                       
CONECT    3    2    2   25   34                                       
CONECT    4   25   25    5   35                                       
CONECT    5   24   24    4   26                                       
CONECT    6   26   36   37   38                                       
CONECT    7    8   29   29   39                                       
CONECT    8    9    9    7   40                                       
CONECT    9    8    8   10   41                                       
CONECT   10    9   28   28   42                                       
CONECT   11   12   12                                                 
CONECT   12   28   11   11   13                                       
CONECT   13   12   14   43                                            
CONECT   14   13   15   44   45                                       
CONECT   15   14   16   16   22                                       
CONECT   16   15   15   17   46                                       
CONECT   17   18   16   19   19                                       
CONECT   18   17                                                      
CONECT   19   17   17   20   47                                       
CONECT   20   22   22   19   21                                       
CONECT   21   20                                                      
CONECT   22   15   20   20   23                                       
CONECT   23   22    1                                                 
CONECT   24    2    1    5    5                                       
CONECT   25    3    4    4   48                                       
CONECT   26    5    6                                                 
CONECT   27    1    1                                                 
CONECT   28   10   10   29   12                                       
CONECT   29    7    7   30   28                                       
CONECT   30   31   31   29   32                                       
CONECT   31   30   30                                                 
CONECT   32   30                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
