COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.203   1.327  -1.726  1.00  0.00           C  
HETATM    2  C   UNL     1       3.201   0.623   0.432  1.00  0.00           C  
HETATM    3  C   UNL     1       1.234   1.920   0.157  1.00  0.00           C  
HETATM    4  N   UNL     1       3.078  -0.025  -0.684  1.00  0.00           N  
HETATM    5  C   UNL     1       4.969  -1.024  -0.039  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.419  -3.471  -0.033  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.872   1.479   1.847  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.379  -0.376   1.938  1.00  0.00           C  
HETATM    9  C   UNL     1       4.011  -0.916  -0.964  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.246  -0.586   0.578  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.948   1.964  -0.572  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.755  -2.409   0.804  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.589  -0.606  -2.540  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.693   0.655   2.564  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.722   1.287   0.472  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.414   0.246  -0.171  1.00  0.00           C  
HETATM   17  N   UNL     1       2.315   1.591   0.892  1.00  0.00           N  
HETATM   18  N   UNL     1      -7.256  -4.358   0.541  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.081   0.301  -1.508  1.00  0.00           N  
HETATM   20  N   UNL     1       0.375   2.857   0.604  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.328   3.636  -1.630  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.616   4.303   0.406  1.00  0.00           O  
HETATM   23  O   UNL     1       1.033   1.370  -0.908  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.923  -1.598  -0.027  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.202  -3.528  -1.225  1.00  0.00           O  
HETATM   26  S   UNL     1      -0.883   3.351  -0.353  1.00  0.00           S  
HETATM   27  S   UNL     1       4.607   0.111   1.258  1.00  0.00           S  
HETATM   28 BR   UNL     1       6.454  -2.193  -0.111  1.00  0.00          Br  
HETATM   29  H   UNL     1      -1.781   1.589  -2.685  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.342   2.278   2.343  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.023  -1.021   2.518  1.00  0.00           H  
HETATM   32  H   UNL     1       4.002  -1.508  -1.867  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.517  -1.787   1.273  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.147  -2.883   1.576  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.504  -0.195  -2.967  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.841  -0.719  -3.325  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.800  -1.579  -2.097  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.807   0.805   3.627  1.00  0.00           H  
HETATM   39  H   UNL     1       2.474   2.030   1.743  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.683  -5.042   0.002  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.430  -4.313   1.495  1.00  0.00           H  
HETATM   42  H   UNL     1       0.494   3.243   1.486  1.00  0.00           H  
CONECT    1   11   11   19   29                                       
CONECT    2    4    4   17   27                                       
CONECT    3   17   20   23   23                                       
CONECT    4    2    2    9                                            
CONECT    5    9    9   27   28                                       
CONECT    6   12   18   25   25                                       
CONECT    7   14   15   15   30                                       
CONECT    8   14   14   10   31                                       
CONECT    9    4    5    5   32                                       
CONECT   10    8   24   16   16                                       
CONECT   11   15   26    1    1                                       
CONECT   12    6   24   33   34                                       
CONECT   13   19   35   36   37                                       
CONECT   14    8    8    7   38                                       
CONECT   15    7    7   16   11                                       
CONECT   16   10   10   15   19                                       
CONECT   17    2    3   39                                            
CONECT   18    6   40   41                                            
CONECT   19   16    1   13                                            
CONECT   20    3   26   42                                            
CONECT   21   26   26                                                 
CONECT   22   26   26                                                 
CONECT   23    3    3                                                 
CONECT   24   12   10                                                 
CONECT   25    6    6                                                 
CONECT   26   20   21   21   11                                       
CONECT   26   22   22                                                 
CONECT   27    2    5                                                 
CONECT   28    5                                                      
CONECT   29    1                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
