COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.402  -0.073  -0.844  1.00  0.00           C  
HETATM    2  C   UNL     1       0.165   1.315  -0.688  1.00  0.00           C  
HETATM    3  C   UNL     1       1.454   1.267  -1.209  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.794  -1.500   0.506  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.741  -0.667   0.520  1.00  0.00           C  
HETATM    6  C   UNL     1       3.014  -0.403  -2.283  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.245  -2.103   0.337  1.00  0.00           C  
HETATM    8  C   UNL     1       5.690  -1.772   0.758  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.609  -0.677  -0.155  1.00  0.00           C  
HETATM   10  C   UNL     1       4.841  -2.674   0.113  1.00  0.00           C  
HETATM   11  C   UNL     1       0.438   3.631  -0.160  1.00  0.00           C  
HETATM   12  O   UNL     1       7.359  -1.461   2.361  1.00  0.00           O  
HETATM   13  C   UNL     1       6.619  -2.247   1.805  1.00  0.00           C  
HETATM   14  O   UNL     1       6.644  -3.550   2.142  1.00  0.00           O  
HETATM   15  C   UNL     1       3.981  -2.225  -0.868  1.00  0.00           C  
HETATM   16  C   UNL     1       3.957  -0.885  -1.212  1.00  0.00           C  
HETATM   17  N   UNL     1       1.738  -0.018  -1.674  1.00  0.00           N  
HETATM   18  C   UNL     1       0.706  -0.862  -1.499  1.00  0.00           C  
HETATM   19  O   UNL     1       0.672  -2.035  -1.808  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.356  -2.095  -0.624  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.148  -1.479  -1.942  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.636  -0.048  -1.741  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.816  -2.768  -0.230  1.00  0.00           S  
HETATM   24  O   UNL     1      -3.557  -3.719   0.794  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.449  -3.101  -1.457  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.272   0.247   0.635  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.995   0.174   1.937  1.00  0.00           C  
HETATM   28  S   UNL     1      -4.837  -1.120   2.222  1.00  0.00           S  
HETATM   29  C   UNL     1      -0.340   2.485  -0.168  1.00  0.00           C  
HETATM   30 BR   UNL     1      -0.252   5.241   0.553  1.00  0.00          Br  
HETATM   31  C   UNL     1       1.721   3.595  -0.675  1.00  0.00           C  
HETATM   32  C   UNL     1       2.230   2.424  -1.198  1.00  0.00           C  
HETATM   33  C   UNL     1       4.795   0.014  -0.576  1.00  0.00           C  
HETATM   34  C   UNL     1       5.661  -0.421   0.406  1.00  0.00           C  
HETATM   35  H   UNL     1       0.151  -0.672   1.146  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.517  -0.068   0.996  1.00  0.00           H  
HETATM   37  H   UNL     1       3.450   0.459  -2.789  1.00  0.00           H  
HETATM   38  H   UNL     1       2.846  -1.201  -3.006  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.437  -2.729  -0.043  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.592  -2.493   1.294  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.742  -0.727  -1.226  1.00  0.00           H  
HETATM   42  H   UNL     1       4.859  -3.720   0.380  1.00  0.00           H  
HETATM   43  H   UNL     1       7.268  -3.813   2.832  1.00  0.00           H  
HETATM   44  H   UNL     1       3.324  -2.921  -1.368  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.412  -2.055  -2.502  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.090  -1.459  -2.489  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.414   0.554  -1.273  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.375   0.383  -2.708  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.962   0.971   0.227  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.416   0.811   2.700  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.342   2.510   0.233  1.00  0.00           H  
HETATM   52  H   UNL     1       2.328   4.489  -0.669  1.00  0.00           H  
HETATM   53  H   UNL     1       3.233   2.403  -1.598  1.00  0.00           H  
HETATM   54  H   UNL     1       4.772   1.058  -0.849  1.00  0.00           H  
HETATM   55  H   UNL     1       6.314   0.281   0.902  1.00  0.00           H  
CONECT    1    2    5   18   22                                       
CONECT    2   29   29    3    1                                       
CONECT    3   32   32    2   17                                       
CONECT    4   23    9    9   28                                       
CONECT    5    1    7   35   36                                       
CONECT    6   16   17   37   38                                       
CONECT    7    5   20   39   40                                       
CONECT    8   10   13   34   34                                       
CONECT    9    4    4   26   41                                       
CONECT   10   15   15    8   42                                       
CONECT   11   30   31   31   29                                       
CONECT   12   13   13                                                 
CONECT   13   12   12    8   14                                       
CONECT   14   13   43                                                 
CONECT   15   10   10   16   44                                       
CONECT   16   15    6   33   33                                       
CONECT   17    3    6   18                                            
CONECT   18   17    1   19   19                                       
CONECT   19   18   18                                                 
CONECT   20    7   21   23                                            
CONECT   21   22   20   45   46                                       
CONECT   22    1   21   47   48                                       
CONECT   23   20   24   24   25                                       
CONECT   23   25    4                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26    9   27   27   49                                       
CONECT   27   28   26   26   50                                       
CONECT   28    4   27                                                 
CONECT   29   11    2    2   51                                       
CONECT   30   11                                                      
CONECT   31   11   11   32   52                                       
CONECT   32   31    3    3   53                                       
CONECT   33   16   16   34   54                                       
CONECT   34    8    8   33   55                                       
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   34                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
