COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.818   1.903  -0.210  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.781   4.322   0.838  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.718   4.240  -1.555  1.00  0.00           C  
HETATM    4  C   UNL     1       0.736   0.512  -0.133  1.00  0.00           C  
HETATM    5  C   UNL     1       0.345  -3.427  -1.156  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.181  -1.776   0.159  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.836  -2.143  -0.278  1.00  0.00           C  
HETATM    8  C   UNL     1       4.116  -1.504   2.467  1.00  0.00           C  
HETATM    9  N   UNL     1       5.001  -0.757   1.570  1.00  0.00           N  
HETATM   10  S   UNL     1       4.604  -0.583  -0.028  1.00  0.00           S  
HETATM   11  O   UNL     1       5.629   0.208  -0.613  1.00  0.00           O  
HETATM   12  O   UNL     1       4.259  -1.879  -0.499  1.00  0.00           O  
HETATM   13  C   UNL     1       3.131   0.380  -0.099  1.00  0.00           C  
HETATM   14  C   UNL     1       3.212   1.758  -0.181  1.00  0.00           C  
HETATM   15  C   UNL     1       2.059   2.520  -0.237  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.350   2.672  -0.267  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.464   3.544   0.911  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.826   5.058  -0.387  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.401   3.462  -1.506  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.514  -0.118  -0.112  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.617  -1.462  -0.422  1.00  0.00           C  
HETATM   22  N   UNL     1       0.437  -2.142  -0.866  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.775  -4.106  -1.031  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.886  -3.512  -0.599  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.167  -3.934  -0.370  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.931  -2.888   0.082  1.00  0.00           C  
HETATM   27 BR   UNL     1      -3.753  -0.068   0.734  1.00  0.00          Br  
HETATM   28  C   UNL     1       1.897  -0.244  -0.077  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.618   3.624   0.874  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.845   5.011   1.680  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.553   3.541  -1.589  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.736   4.871  -2.444  1.00  0.00           H  
HETATM   33  H   UNL     1       1.225  -3.941  -1.513  1.00  0.00           H  
HETATM   34  H   UNL     1       4.540  -1.510   3.472  1.00  0.00           H  
HETATM   35  H   UNL     1       3.136  -1.028   2.490  1.00  0.00           H  
HETATM   36  H   UNL     1       4.016  -2.528   2.109  1.00  0.00           H  
HETATM   37  H   UNL     1       5.819  -0.363   1.912  1.00  0.00           H  
HETATM   38  H   UNL     1       4.178   2.240  -0.201  1.00  0.00           H  
HETATM   39  H   UNL     1       2.126   3.596  -0.301  1.00  0.00           H  
HETATM   40  H   UNL     1       0.371   4.244   0.929  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.450   2.937   1.816  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.340   2.795  -2.366  1.00  0.00           H  
HETATM   43  H   UNL     1       0.436   4.161  -1.527  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.309   0.388   0.120  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.488  -4.838  -0.508  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.979  -2.950   0.338  1.00  0.00           H  
HETATM   47  H   UNL     1       1.838  -1.321  -0.017  1.00  0.00           H  
CONECT    1    4   16   15   15                                       
CONECT    2   17   18   29   30                                       
CONECT    3   18   19   31   32                                       
CONECT    4   20   28   28    1                                       
CONECT    5   23   22   22   33                                       
CONECT    6   26   26    7   27                                       
CONECT    7   24    6   21   21                                       
CONECT    8    9   34   35   36                                       
CONECT    9   10    8   37                                            
CONECT   10   11   11    9   13                                       
CONECT   10   12   12                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   28   10   14   14                                       
CONECT   14   13   13   15   38                                       
CONECT   15    1    1   14   39                                       
CONECT   16   17    1   19                                            
CONECT   17    2   16   40   41                                       
CONECT   18    2    3                                                 
CONECT   19   16    3   42   43                                       
CONECT   20   21    4   44                                            
CONECT   21    7    7   22   20                                       
CONECT   22    5    5   21                                            
CONECT   23   24   24    5                                            
CONECT   24   23   23   25    7                                       
CONECT   25   24   26   45                                            
CONECT   26   25    6    6   46                                       
CONECT   27    6                                                      
CONECT   28    4    4   13   47                                       
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
