COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.726   1.043   0.613  1.00  0.00           C  
HETATM    2  C   UNL     1       0.215  -2.133   0.636  1.00  0.00           C  
HETATM    3  C   UNL     1       2.327  -1.179   0.115  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.693  -2.077  -0.951  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.988   0.195  -1.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.997  -1.800   0.153  1.00  0.00           C  
HETATM    7  C   UNL     1       3.578  -1.310  -0.473  1.00  0.00           C  
HETATM    8  C   UNL     1       3.990   0.982   0.039  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.237  -0.976  -1.589  1.00  0.00           C  
HETATM   10  C   UNL     1       4.425  -0.213  -0.514  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.466   1.535  -1.497  1.00  0.00           C  
HETATM   12  C   UNL     1       0.921   2.091   1.709  1.00  0.00           C  
HETATM   13  C   UNL     1       2.328   3.326   0.176  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.051  -1.092  -2.852  1.00  0.00           C  
HETATM   15  C   UNL     1       1.885   4.632   0.840  1.00  0.00           C  
HETATM   16  C   UNL     1       0.492   3.409   2.358  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.830   1.850  -0.879  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.556   3.513  -0.829  1.00  0.00           C  
HETATM   19  N   UNL     1       1.468  -2.276   0.160  1.00  0.00           N  
HETATM   20  N   UNL     1       2.278   2.238   1.164  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.648  -3.166   0.584  1.00  0.00           N  
HETATM   22  N   UNL     1       1.941  -0.023   0.634  1.00  0.00           N  
HETATM   23  O   UNL     1      -2.062  -2.400   2.456  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.847  -4.227   0.941  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.136  -1.070   1.111  1.00  0.00           O  
HETATM   26  O   UNL     1       0.576   4.460   1.391  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.284   3.121  -1.349  1.00  0.00           O  
HETATM   28  S   UNL     1      -2.187  -2.990   1.169  1.00  0.00           S  
HETATM   29  S   UNL     1      -3.012  -0.064   0.439  1.00  0.00           S  
HETATM   30 BR   UNL     1       6.138  -0.344  -1.304  1.00  0.00          Br  
HETATM   31  H   UNL     1      -3.819  -3.084  -1.321  1.00  0.00           H  
HETATM   32  H   UNL     1       3.887  -2.255  -0.895  1.00  0.00           H  
HETATM   33  H   UNL     1       4.627   1.854   0.023  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.750   2.306  -1.209  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.556   1.510  -2.583  1.00  0.00           H  
HETATM   36  H   UNL     1       0.913   1.298   2.457  1.00  0.00           H  
HETATM   37  H   UNL     1       0.231   1.839   0.904  1.00  0.00           H  
HETATM   38  H   UNL     1       1.660   3.094  -0.654  1.00  0.00           H  
HETATM   39  H   UNL     1       3.347   3.433  -0.196  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.392  -1.020  -3.717  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.566  -2.052  -2.866  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.785  -0.286  -2.887  1.00  0.00           H  
HETATM   43  H   UNL     1       2.583   4.891   1.636  1.00  0.00           H  
HETATM   44  H   UNL     1       1.866   5.430   0.098  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.535   3.323   2.713  1.00  0.00           H  
HETATM   46  H   UNL     1       1.150   3.633   3.198  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.545   1.080  -1.166  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.740   1.875   0.207  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.307   2.777  -1.115  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.501   3.572   0.258  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.829   4.488  -1.233  1.00  0.00           H  
HETATM   52  H   UNL     1       1.772  -3.143  -0.152  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.367  -4.014   0.205  1.00  0.00           H  
CONECT    1   20   22   22    8                                       
CONECT    2   19   21   25   25                                       
CONECT    3   22   19    7    7                                       
CONECT    4    6    6    9   31                                       
CONECT    5   29   11    9    9                                       
CONECT    6   29   28    4    4                                       
CONECT    7    3    3   10   32                                       
CONECT    8    1   10   10   33                                       
CONECT    9    5    5    4   14                                       
CONECT   10    8    8    7   30                                       
CONECT   11   17    5   34   35                                       
CONECT   12   16   20   36   37                                       
CONECT   13   15   20   38   39                                       
CONECT   14    9   40   41   42                                       
CONECT   15   26   13   43   44                                       
CONECT   16   26   12   45   46                                       
CONECT   17   11   27   47   48                                       
CONECT   18   27   49   50   51                                       
CONECT   19    3    2   52                                            
CONECT   20   13   12    1                                            
CONECT   21    2   28   53                                            
CONECT   22    1    1    3                                            
CONECT   23   28   28                                                 
CONECT   24   28   28                                                 
CONECT   25    2    2                                                 
CONECT   26   15   16                                                 
CONECT   27   17   18                                                 
CONECT   28   21   23   23    6                                       
CONECT   28   24   24                                                 
CONECT   29    5    6                                                 
CONECT   30   10                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
