COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.828  -2.347  -0.812  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.972  -1.881  -1.307  1.00  0.00           C  
HETATM    3  C   UNL     1       3.254  -0.880   1.012  1.00  0.00           C  
HETATM    4  C   UNL     1       3.428   0.207   1.766  1.00  0.00           C  
HETATM    5  C   UNL     1       4.440   1.053   1.345  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.664   2.624  -0.926  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.434   1.994  -0.324  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.429   1.630   1.010  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.304   1.053   1.565  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.177   0.837   0.782  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.186   1.204  -0.557  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.316   1.777  -1.108  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.283  -0.637   0.601  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.416  -1.959   0.382  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.119  -2.489   0.939  1.00  0.00           C  
HETATM   16  C   UNL     1       1.187  -1.637  -0.914  1.00  0.00           C  
HETATM   17  C   UNL     1       2.220  -1.949   1.254  1.00  0.00           C  
HETATM   18  C   UNL     1       5.088   0.652   0.250  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.036   0.253   1.341  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.137  -1.107   1.089  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.700  -1.024  -0.599  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.401  -2.286  -2.555  1.00  0.00           N  
HETATM   23  N   UNL     1       0.983  -1.603   0.541  1.00  0.00           N  
HETATM   24  S   UNL     1       4.413  -0.872  -0.311  1.00  0.00           S  
HETATM   25 BR   UNL     1       6.515   1.581  -0.574  1.00  0.00          Br  
HETATM   26  H   UNL     1       2.824   0.411   2.638  1.00  0.00           H  
HETATM   27  H   UNL     1       4.685   1.968   1.864  1.00  0.00           H  
HETATM   28  H   UNL     1      -8.607   3.707  -0.819  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.723   2.366  -1.984  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.551   2.253  -0.412  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.305   1.798   1.619  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.300   0.769   2.607  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.311   1.038  -1.169  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.323   2.062  -2.149  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.180  -2.528   2.026  1.00  0.00           H  
HETATM   36  H   UNL     1       0.061  -3.491   0.549  1.00  0.00           H  
HETATM   37  H   UNL     1       0.277  -1.310  -1.416  1.00  0.00           H  
HETATM   38  H   UNL     1       2.009  -0.973  -1.181  1.00  0.00           H  
HETATM   39  H   UNL     1       1.427  -2.654  -1.223  1.00  0.00           H  
HETATM   40  H   UNL     1       2.594  -2.906   0.890  1.00  0.00           H  
HETATM   41  H   UNL     1       2.015  -2.021   2.322  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.774   0.473   2.249  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.869  -2.911  -3.071  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.235  -1.946  -2.915  1.00  0.00           H  
CONECT    1    2    2   14                                            
CONECT    2   22    1    1   21                                       
CONECT    3   17    4    4   24                                       
CONECT    4    3    3    5   26                                       
CONECT    5    4   18   18   27                                       
CONECT    6    7   28   29   30                                       
CONECT    7    8    8   12    6                                       
CONECT    8    9    7    7   31                                       
CONECT    9   10   10    8   32                                       
CONECT   10   19    9    9   11                                       
CONECT   11   10   12   12   33                                       
CONECT   12   11   11    7   34                                       
CONECT   13   21   21   20   19                                       
CONECT   14    1   15   20   20                                       
CONECT   15   23   14   35   36                                       
CONECT   16   23   37   38   39                                       
CONECT   17   23    3   40   41                                       
CONECT   18   24    5    5   25                                       
CONECT   19   13   10   42                                            
CONECT   20   14   14   13                                            
CONECT   21    2   13   13                                            
CONECT   22    2   43   44                                            
CONECT   23   16   15   17                                            
CONECT   24    3   18                                                 
CONECT   25   18                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
