COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.927   1.825  -1.528  1.00  0.00           C  
HETATM    2  C   UNL     1       1.620   3.100   1.550  1.00  0.00           C  
HETATM    3  C   UNL     1       1.753   0.943   0.459  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.663  -0.406   1.966  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.492  -1.137   2.625  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.482  -2.658   1.514  1.00  0.00           C  
HETATM    7  C   UNL     1       4.514   0.737   1.409  1.00  0.00           C  
HETATM    8  C   UNL     1       5.279  -1.422   0.712  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.115   1.659  -0.844  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.995   2.949  -1.157  1.00  0.00           C  
HETATM   11  C   UNL     1       0.711   3.611   0.429  1.00  0.00           C  
HETATM   12  C   UNL     1       0.844   1.454  -0.662  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.221  -2.467   0.669  1.00  0.00           C  
HETATM   14  C   UNL     1       3.459   1.605   2.046  1.00  0.00           C  
HETATM   15  C   UNL     1       4.314  -0.627   1.300  1.00  0.00           C  
HETATM   16  C   UNL     1       6.444  -0.854   0.231  1.00  0.00           C  
HETATM   17  C   UNL     1       6.646   0.510   0.344  1.00  0.00           C  
HETATM   18  C   UNL     1       5.679   1.305   0.929  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.051  -0.255  -0.084  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.897  -0.975   0.565  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.655  -0.787  -0.268  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.179   0.452  -0.496  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.974   0.622  -1.186  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.633  -0.246  -2.216  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.443  -0.075  -2.896  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.589   0.955  -2.549  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.055   2.487  -0.128  1.00  0.00           N  
HETATM   28  N   UNL     1       2.519   2.067   1.016  1.00  0.00           N  
HETATM   29  O   UNL     1      -5.085  -1.752  -0.733  1.00  0.00           O  
HETATM   30  O   UNL     1      -9.031  -0.871  -0.428  1.00  0.00           O  
HETATM   31 BR   UNL     1       7.765  -1.942  -0.573  1.00  0.00          Br  
HETATM   32  H   UNL     1       2.210   3.927   1.945  1.00  0.00           H  
HETATM   33  H   UNL     1       1.010   2.675   2.347  1.00  0.00           H  
HETATM   34  H   UNL     1       1.144   0.493   1.244  1.00  0.00           H  
HETATM   35  H   UNL     1       2.440   0.197   0.059  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.562  -0.542   2.568  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.433   0.657   1.892  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.722  -2.200   2.698  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.594  -1.001   2.022  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.325  -0.731   3.622  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.316  -2.137   1.045  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.712  -3.721   1.588  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.315  -2.252   2.512  1.00  0.00           H  
HETATM   44  H   UNL     1       5.121  -2.487   0.624  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.377   2.336  -0.044  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.441   3.268  -2.040  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.574   3.788  -0.770  1.00  0.00           H  
HETATM   48  H   UNL     1       0.024   4.356   0.830  1.00  0.00           H  
HETATM   49  H   UNL     1       1.319   4.061  -0.356  1.00  0.00           H  
HETATM   50  H   UNL     1       1.454   1.880  -1.459  1.00  0.00           H  
HETATM   51  H   UNL     1       0.254   0.627  -1.058  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.386  -2.988   1.138  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.388  -2.873  -0.329  1.00  0.00           H  
HETATM   54  H   UNL     1       2.920   1.028   2.798  1.00  0.00           H  
HETATM   55  H   UNL     1       3.933   2.465   2.518  1.00  0.00           H  
HETATM   56  H   UNL     1       3.403  -1.071   1.676  1.00  0.00           H  
HETATM   57  H   UNL     1       7.556   0.954  -0.030  1.00  0.00           H  
HETATM   58  H   UNL     1       5.833   2.371   1.011  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.002   0.812  -0.241  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.671   1.227  -0.181  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.298  -1.053  -2.484  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.178  -0.750  -3.696  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.659   1.087  -3.082  1.00  0.00           H  
CONECT    1   26   10    9    9                                       
CONECT    2   11   28   32   33                                       
CONECT    3   12   28   34   35                                       
CONECT    4   20    5   36   37                                       
CONECT    5    4   38   39   40                                       
CONECT    6   13   41   42   43                                       
CONECT    7   15   15   18   14                                       
CONECT    8   16   16   15   44                                       
CONECT    9    1    1   23   45                                       
CONECT   10    1   27   46   47                                       
CONECT   11   27    2   48   49                                       
CONECT   12   27    3   50   51                                       
CONECT   13    6   20   52   53                                       
CONECT   14    7   28   54   55                                       
CONECT   15    8    7    7   56                                       
CONECT   16   31    8    8   17                                       
CONECT   17   16   18   18   57                                       
CONECT   18   17   17    7   58                                       
CONECT   19   20   30   30   59                                       
CONECT   20   21   13    4   19                                       
CONECT   21   29   29   22   20                                       
CONECT   22   23   21   60                                            
CONECT   23   24   24    9   22                                       
CONECT   24   25   23   23   61                                       
CONECT   25   26   26   24   62                                       
CONECT   26   25   25    1   63                                       
CONECT   27   10   11   12                                            
CONECT   28    2    3   14                                            
CONECT   29   21   21                                                 
CONECT   30   19   19                                                 
CONECT   31   16                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
