COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.475  -2.569   0.646  1.00  0.00           N  
HETATM    2  N   UNL     1      -5.021  -0.608   0.817  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.608  -1.339   0.158  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.496  -3.194   1.204  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.922  -1.423   0.852  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.703   0.584   0.218  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.409   0.578  -0.148  1.00  0.00           C  
HETATM    8  C   UNL     1       1.856  -0.315  -0.591  1.00  0.00           C  
HETATM    9  C   UNL     1       3.878   1.595  -0.726  1.00  0.00           C  
HETATM   10  C   UNL     1       5.897   2.752   0.266  1.00  0.00           C  
HETATM   11  C   UNL     1       4.043   0.463   0.038  1.00  0.00           C  
HETATM   12  O   UNL     1       5.143   0.457   2.313  1.00  0.00           O  
HETATM   13  S   UNL     1       5.514   0.173   0.971  1.00  0.00           S  
HETATM   14  O   UNL     1       5.927  -1.130   0.583  1.00  0.00           O  
HETATM   15  C   UNL     1       6.671   1.428   0.346  1.00  0.00           C  
HETATM   16  C   UNL     1       4.904   2.678  -0.880  1.00  0.00           C  
HETATM   17  C   UNL     1       2.681   1.768  -1.420  1.00  0.00           C  
HETATM   18  C   UNL     1       1.680   0.825  -1.353  1.00  0.00           C  
HETATM   19  C   UNL     1       3.037  -0.491   0.100  1.00  0.00           C  
HETATM   20  C   UNL     1       0.766  -1.353  -0.512  1.00  0.00           C  
HETATM   21  C   UNL     1       0.808  -2.232  -1.764  1.00  0.00           C  
HETATM   22  C   UNL     1       2.168  -2.927  -1.854  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.299  -3.286  -1.683  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.536  -0.688  -0.426  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.863  -0.718   0.249  1.00  0.00           C  
HETATM   26 BR   UNL     1      -5.904   2.019  -0.053  1.00  0.00          Br  
HETATM   27  N   UNL     1      -3.689  -2.652   1.311  1.00  0.00           N  
HETATM   28  H   UNL     1      -5.896  -0.840   1.165  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.345  -4.192   1.587  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.876   1.377  -0.642  1.00  0.00           H  
HETATM   31  H   UNL     1       5.363   2.919   1.201  1.00  0.00           H  
HETATM   32  H   UNL     1       6.594   3.572   0.093  1.00  0.00           H  
HETATM   33  H   UNL     1       7.028   1.145  -0.645  1.00  0.00           H  
HETATM   34  H   UNL     1       7.514   1.530   1.030  1.00  0.00           H  
HETATM   35  H   UNL     1       5.454   2.507  -1.806  1.00  0.00           H  
HETATM   36  H   UNL     1       4.390   3.636  -0.957  1.00  0.00           H  
HETATM   37  H   UNL     1       2.537   2.656  -2.018  1.00  0.00           H  
HETATM   38  H   UNL     1       0.758   0.975  -1.896  1.00  0.00           H  
HETATM   39  H   UNL     1       3.180  -1.380   0.696  1.00  0.00           H  
HETATM   40  H   UNL     1       0.918  -1.972   0.372  1.00  0.00           H  
HETATM   41  H   UNL     1       0.657  -1.613  -2.648  1.00  0.00           H  
HETATM   42  H   UNL     1       2.319  -3.546  -0.969  1.00  0.00           H  
HETATM   43  H   UNL     1       2.198  -3.553  -2.745  1.00  0.00           H  
HETATM   44  H   UNL     1       2.956  -2.176  -1.911  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.268  -2.791  -1.619  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.269  -3.912  -2.575  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.147  -3.905  -0.799  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.647   0.209  -0.778  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   28                                            
CONECT    3   24    1    1   25                                       
CONECT    4    1   27   27   29                                       
CONECT    5   27    2   25   25                                       
CONECT    6    2   26    7    7                                       
CONECT    7    6    6   25   30                                       
CONECT    8   20   18   18   19                                       
CONECT    9   17   17   16   11                                       
CONECT   10   16   15   31   32                                       
CONECT   11   13    9   19   19                                       
CONECT   12   13   13                                                 
CONECT   13   15   14   14   12                                       
CONECT   13   12   11                                                 
CONECT   14   13   13                                                 
CONECT   15   10   13   33   34                                       
CONECT   16    9   10   35   36                                       
CONECT   17   18    9    9   37                                       
CONECT   18    8    8   17   38                                       
CONECT   19   11   11    8   39                                       
CONECT   20   21   24    8   40                                       
CONECT   21   23   22   20   41                                       
CONECT   22   21   42   43   44                                       
CONECT   23   21   45   46   47                                       
CONECT   24   20    3   48                                            
CONECT   25    7    3    5    5                                       
CONECT   26    6                                                      
CONECT   27    4    4    5                                            
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
