COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -6.515  -1.622  -0.139  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -4.914  -0.952  -0.179  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.894  -1.645  -0.809  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.617  -1.120  -0.845  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.665   0.275   0.416  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.396   0.807   0.385  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.363   0.109  -0.245  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.091   2.137   1.021  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.670   2.121   1.583  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.286   3.537   2.015  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.623   1.196   2.800  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.714   1.650   0.587  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.010   0.709  -0.262  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.071   0.278  -1.173  1.00  0.00           N  
HETATM   15  CA  UNL     1       1.267   0.875  -1.186  1.00  0.00           C  
HETATM   16  C   UNL     1       1.262   2.101  -2.061  1.00  0.00           C  
HETATM   17  O   UNL     1       0.245   2.441  -2.618  1.00  0.00           O  
HETATM   18  OXT UNL     1       2.386   2.815  -2.223  1.00  0.00           O  
HETATM   19  C   UNL     1       2.273  -0.139  -1.734  1.00  0.00           C  
HETATM   20  C   UNL     1       2.360  -1.317  -0.798  1.00  0.00           C  
HETATM   21  C   UNL     1       3.138  -1.302   0.347  1.00  0.00           C  
HETATM   22 BR   UNL     1       4.172   0.198   0.856  1.00  0.00          Br  
HETATM   23  C   UNL     1       1.689  -2.451  -1.006  1.00  0.00           C  
HETATM   24  S   UNL     1       2.038  -3.589   0.288  1.00  0.00           S  
HETATM   25  C   UNL     1       3.103  -2.426   1.065  1.00  0.00           C  
HETATM   26  H   UNL     1      -4.097  -2.598  -1.273  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.821  -1.660  -1.336  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.465   0.813   0.902  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.177   2.925   0.273  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.799   2.324   1.829  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.979   3.884   2.781  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.273   3.532   2.417  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.332   4.205   1.154  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.911   0.187   2.502  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.612   1.180   3.206  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.314   1.560   3.561  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.296  -0.421  -1.807  1.00  0.00           H  
HETATM   38  HA  UNL     1       1.549   1.154  -0.171  1.00  0.00           H  
HETATM   39  HXT UNL     1       2.334   3.594  -2.794  1.00  0.00           H  
HETATM   40  H   UNL     1       1.947  -0.480  -2.717  1.00  0.00           H  
HETATM   41  H   UNL     1       3.253   0.331  -1.819  1.00  0.00           H  
HETATM   42  H   UNL     1       1.032  -2.640  -1.842  1.00  0.00           H  
HETATM   43  H   UNL     1       3.645  -2.595   1.984  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   26                                       
CONECT    4    3    7    7   27                                       
CONECT    5    2    6    6   28                                       
CONECT    6    5    5    7    8                                       
CONECT    7    4    4    6   13                                       
CONECT    8    6    9   29   30                                       
CONECT    9    8   12   11   10                                       
CONECT   10    9   31   32   33                                       
CONECT   11    9   34   35   36                                       
CONECT   12   13   13    9                                            
CONECT   13    7   14   12   12                                       
CONECT   14   13   15   37                                            
CONECT   15   16   14   19   38                                       
CONECT   16   17   17   18   15                                       
CONECT   17   16   16                                                 
CONECT   18   16   39                                                 
CONECT   19   15   20   40   41                                       
CONECT   20   19   23   23   21                                       
CONECT   21   20   25   25   22                                       
CONECT   22   21                                                      
CONECT   23   20   20   24   42                                       
CONECT   24   23   25                                                 
CONECT   25   24   21   21   43                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
