COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -1.331  -1.246  -7.355  1.00  0.00          Br  
HETATM    2 BR   UNL     1      -2.433   0.883  -5.221  1.00  0.00          Br  
HETATM    3  C   UNL     1      -0.818   0.147  -6.067  1.00  0.00           C  
HETATM    4  C   UNL     1       0.087  -0.458  -4.993  1.00  0.00           C  
HETATM    5  C   UNL     1       0.486   0.627  -3.991  1.00  0.00           C  
HETATM    6  C   UNL     1       1.393   0.021  -2.918  1.00  0.00           C  
HETATM    7  B   UNL     1       2.682  -0.566  -3.593  1.00  0.00           B  
HETATM    8  O   UNL     1       3.547   0.282  -4.333  1.00  0.00           O  
HETATM    9  O   UNL     1       2.984  -1.948  -3.464  1.00  0.00           O  
HETATM   10  N   UNL     1       1.775   1.060  -1.958  1.00  0.00           N  
HETATM   11  O   UNL     1       1.932  -0.420  -0.314  1.00  0.00           O  
HETATM   12  C   UNL     1       2.024   0.733  -0.675  1.00  0.00           C  
HETATM   13  C   UNL     1       2.417   1.802   0.312  1.00  0.00           C  
HETATM   14  C   UNL     1       3.956   1.976   0.334  1.00  0.00           C  
HETATM   15  C   UNL     1       4.181   2.573   1.749  1.00  0.00           C  
HETATM   16  C   UNL     1       3.112   1.857   2.600  1.00  0.00           C  
HETATM   17  N   UNL     1       2.061   1.390   1.682  1.00  0.00           N  
HETATM   18  O   UNL     1       0.107   0.452   1.208  1.00  0.00           O  
HETATM   19  C   UNL     1       0.958   0.701   2.035  1.00  0.00           C  
HETATM   20  C   UNL     1       0.783   0.239   3.459  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.643   0.059   3.742  1.00  0.00           N  
HETATM   22  C   UNL     1       1.513  -1.090   3.657  1.00  0.00           C  
HETATM   23  C   UNL     1       1.458  -1.482   5.112  1.00  0.00           C  
HETATM   24  C   UNL     1       0.410  -2.252   5.581  1.00  0.00           C  
HETATM   25  C   UNL     1       0.360  -2.611   6.915  1.00  0.00           C  
HETATM   26  C   UNL     1       1.357  -2.200   7.779  1.00  0.00           C  
HETATM   27  C   UNL     1       2.405  -1.430   7.310  1.00  0.00           C  
HETATM   28  C   UNL     1       2.458  -1.075   5.975  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.351   0.565   5.882  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.111   0.247   4.992  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.578   0.063   5.283  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.842   0.335   6.765  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.331   0.148   7.060  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.592   0.416   8.520  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.350   1.296   8.847  1.00  0.00           O  
HETATM   36  H   UNL     1      -0.285   0.943  -6.586  1.00  0.00           H  
HETATM   37  H   UNL     1       0.983  -0.866  -5.462  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.445  -1.254  -4.474  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.408   1.035  -3.522  1.00  0.00           H  
HETATM   40  H   UNL     1       1.020   1.423  -4.511  1.00  0.00           H  
HETATM   41  H   UNL     1       0.859  -0.774  -2.398  1.00  0.00           H  
HETATM   42  H   UNL     1       4.270  -0.270  -4.660  1.00  0.00           H  
HETATM   43  H   UNL     1       3.808  -2.100  -3.947  1.00  0.00           H  
HETATM   44  H   UNL     1       1.848   1.983  -2.246  1.00  0.00           H  
HETATM   45  H   UNL     1       1.932   2.745   0.061  1.00  0.00           H  
HETATM   46  H   UNL     1       4.459   1.014   0.231  1.00  0.00           H  
HETATM   47  H   UNL     1       4.282   2.670  -0.439  1.00  0.00           H  
HETATM   48  H   UNL     1       5.183   2.340   2.111  1.00  0.00           H  
HETATM   49  H   UNL     1       4.013   3.650   1.744  1.00  0.00           H  
HETATM   50  H   UNL     1       3.558   1.007   3.117  1.00  0.00           H  
HETATM   51  H   UNL     1       2.688   2.552   3.324  1.00  0.00           H  
HETATM   52  H   UNL     1       1.196   0.985   4.137  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.250  -0.193   3.029  1.00  0.00           H  
HETATM   54  H   UNL     1       1.033  -1.862   3.055  1.00  0.00           H  
HETATM   55  H   UNL     1       2.553  -0.983   3.349  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.368  -2.573   4.906  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.458  -3.212   7.282  1.00  0.00           H  
HETATM   58  H   UNL     1       1.317  -2.479   8.822  1.00  0.00           H  
HETATM   59  H   UNL     1       3.184  -1.109   7.985  1.00  0.00           H  
HETATM   60  H   UNL     1       3.276  -0.474   5.608  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.159   0.759   4.677  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.870  -0.958   5.043  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.261  -0.360   7.371  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.550   1.357   7.005  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.912   0.843   6.454  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.624  -0.873   6.821  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.099  -0.179   9.275  1.00  0.00           H  
CONECT    1    3                                                      
CONECT    2    3                                                      
CONECT    3    1    2    4   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    4    6   39   40                                       
CONECT    6    5    7   10   41                                       
CONECT    7    6    8    9                                            
CONECT    8    7   42                                                 
CONECT    9    7   43                                                 
CONECT   10    6   12   44                                            
CONECT   11   12   12                                                 
CONECT   12   10   11   11   13                                       
CONECT   13   12   14   17   45                                       
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   48   49                                       
CONECT   16   15   17   50   51                                       
CONECT   17   13   16   19                                            
CONECT   18   19   19                                                 
CONECT   19   17   18   18   20                                       
CONECT   20   19   21   22   52                                       
CONECT   21   20   30   53                                            
CONECT   22   20   23   54   55                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   56                                       
CONECT   25   24   26   26   57                                       
CONECT   26   25   25   27   58                                       
CONECT   27   26   28   28   59                                       
CONECT   28   23   27   27   60                                       
CONECT   29   30   30                                                 
CONECT   30   21   29   29   31                                       
CONECT   31   30   32   61   62                                       
CONECT   32   31   33   63   64                                       
CONECT   33   32   34   65   66                                       
CONECT   34   33   35   35   67                                       
CONECT   35   34   34                                                 
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
