COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.276  -1.668  -1.417  1.00  0.00           C  
HETATM    2  C   UNL     1       3.872  -0.026  -1.251  1.00  0.00           C  
HETATM    3  C   UNL     1       6.199   3.783  -1.719  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.029   1.576   0.828  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.562   1.357   0.407  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.205  -0.126   0.521  1.00  0.00           C  
HETATM    7  C   UNL     1       1.303  -2.534  -0.614  1.00  0.00           C  
HETATM    8  C   UNL     1       5.263   1.994  -0.623  1.00  0.00           C  
HETATM    9  C   UNL     1       6.532   3.667   0.562  1.00  0.00           C  
HETATM   10  C   UNL     1       5.785   2.477   0.589  1.00  0.00           C  
HETATM   11  C   UNL     1       4.706   0.648   1.034  1.00  0.00           C  
HETATM   12  C   UNL     1       4.683  -1.312  -1.523  1.00  0.00           C  
HETATM   13  C   UNL     1       3.609  -2.417  -1.634  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.464   2.780  -1.181  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.689   2.214  -0.419  1.00  0.00           C  
HETATM   16  N   UNL     1       4.588   0.840  -0.311  1.00  0.00           N  
HETATM   17  N   UNL     1       5.493   2.673  -1.742  1.00  0.00           N  
HETATM   18  N   UNL     1       6.710   4.277  -0.605  1.00  0.00           N  
HETATM   19  N   UNL     1       7.071   4.191   1.724  1.00  0.00           N  
HETATM   20  N   UNL     1       5.409   1.610   1.560  1.00  0.00           N  
HETATM   21  O   UNL     1      -8.102   2.465   1.944  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.814  -0.303   0.242  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.323  -2.385   1.582  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.695  -2.669  -0.898  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.509  -1.550   0.039  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.514  -3.848  -0.283  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.891  -2.605   1.823  1.00  0.00           O  
HETATM   28  O   UNL     1       0.039  -1.873  -0.525  1.00  0.00           O  
HETATM   29  O   UNL     1       2.634  -0.487  -0.667  1.00  0.00           O  
HETATM   30  O   UNL     1       5.411  -1.196  -2.747  1.00  0.00           O  
HETATM   31  O   UNL     1       3.641  -3.017  -2.931  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.441   1.786  -0.959  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.753   2.902  -2.576  1.00  0.00           O  
HETATM   34  O   UNL     1      -9.584   3.263  -0.041  1.00  0.00           O  
HETATM   35  P   UNL     1      -4.090  -1.741   0.270  1.00  0.00           P  
HETATM   36  P   UNL     1      -1.225  -2.499   0.252  1.00  0.00           P  
HETATM   37 BR   UNL     1       3.958  -0.800   1.993  1.00  0.00          Br  
HETATM   38  H   UNL     1       1.835  -1.392  -2.375  1.00  0.00           H  
HETATM   39  H   UNL     1       3.679   0.505  -2.183  1.00  0.00           H  
HETATM   40  H   UNL     1       6.372   4.309  -2.647  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.504   0.624   1.066  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.903   1.947   1.044  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.420  -0.476   1.530  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.794  -0.698  -0.196  1.00  0.00           H  
HETATM   45  H   UNL     1       1.175  -3.495  -1.113  1.00  0.00           H  
HETATM   46  H   UNL     1       1.701  -2.695   0.387  1.00  0.00           H  
HETATM   47  H   UNL     1       5.359  -1.519  -0.693  1.00  0.00           H  
HETATM   48  H   UNL     1       3.754  -3.171  -0.860  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.205   1.461  -1.015  1.00  0.00           H  
HETATM   50  H   UNL     1       6.934   3.737   2.570  1.00  0.00           H  
HETATM   51  H   UNL     1       7.585   5.013   1.692  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.003   2.639   2.250  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.578  -2.308  -1.787  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.691  -1.756   2.241  1.00  0.00           H  
HETATM   55  H   UNL     1       5.939  -1.976  -2.966  1.00  0.00           H  
HETATM   56  H   UNL     1       4.456  -3.501  -3.120  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.019   3.252  -3.100  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.022   3.693  -0.787  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.163   3.741  -0.765  1.00  0.00           H  
CONECT    1    7   13   38   29                                       
CONECT    2   12   16   29   39                                       
CONECT    3   17   17   18   40                                       
CONECT    4    5   15   21   41                                       
CONECT    5    4    6   42   32                                       
CONECT    6    5   22   43   44                                       
CONECT    7    1   28   45   46                                       
CONECT    8   10   10   16   17                                       
CONECT    9   10   18   18   19                                       
CONECT   10    8    8    9   20                                       
CONECT   11   16   20   20   37                                       
CONECT   12    2   13   30   47                                       
CONECT   13    1   12   31   48                                       
CONECT   14   15   32   33   59                                       
CONECT   15    4   14   34   49                                       
CONECT   16    2    8   11                                            
CONECT   17    3    3    8                                            
CONECT   18    3    9    9                                            
CONECT   19    9   50   51                                            
CONECT   20   10   11   11                                            
CONECT   21    4   52                                                 
CONECT   22    6   35                                                 
CONECT   23   35   35                                                 
CONECT   24   35   53                                                 
CONECT   25   35   36                                                 
CONECT   26   36   36                                                 
CONECT   27   36   54                                                 
CONECT   28    7   36                                                 
CONECT   29    2    1                                                 
CONECT   30   12   55                                                 
CONECT   31   13   56                                                 
CONECT   32   14    5                                                 
CONECT   33   14   57                                                 
CONECT   34   15   58                                                 
CONECT   35   22   23   23   24                                       
CONECT   35   25                                                      
CONECT   36   25   26   26   27                                       
CONECT   36   28                                                      
CONECT   37   11                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   14                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
