COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.148  -1.234  -1.108  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.006  -1.181  -0.198  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.135   0.192   0.321  1.00  0.00           C  
HETATM    4  C   UNL     1       1.286   0.797   0.202  1.00  0.00           C  
HETATM    5  C   UNL     1       1.779   0.174  -1.130  1.00  0.00           C  
HETATM    6  C   UNL     1       2.153  -2.238  -0.603  1.00  0.00           C  
HETATM    7  O   UNL     1       1.934  -2.854   0.419  1.00  0.00           O  
HETATM    8  S   UNL     1       1.215   2.606   0.087  1.00  0.00           S  
HETATM    9  C   UNL     1       2.882   3.093  -0.214  1.00  0.00           C  
HETATM   10  C   UNL     1       3.854   2.861   0.743  1.00  0.00           C  
HETATM   11  C   UNL     1       5.162   3.243   0.506  1.00  0.00           C  
HETATM   12  C   UNL     1       5.497   3.856  -0.687  1.00  0.00           C  
HETATM   13  C   UNL     1       4.526   4.088  -1.642  1.00  0.00           C  
HETATM   14  C   UNL     1       3.219   3.701  -1.408  1.00  0.00           C  
HETATM   15 CL   UNL     1       3.432   2.092   2.241  1.00  0.00          Cl  
HETATM   16  N   UNL     1       3.295  -2.450  -1.286  1.00  0.00           N  
HETATM   17  C   UNL     1       4.272  -3.425  -0.795  1.00  0.00           C  
HETATM   18  C   UNL     1       3.693  -4.637  -0.111  1.00  0.00           C  
HETATM   19  C   UNL     1       5.549  -3.620  -1.615  1.00  0.00           C  
HETATM   20  C   UNL     1       5.605  -2.888  -0.272  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.812  -2.217   0.109  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.664  -3.285  -0.445  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.897  -2.046   1.141  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.107  -1.270   0.690  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.036   0.105   0.557  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.146   0.817   0.143  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.327   0.155  -0.139  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.397  -1.220  -0.006  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.286  -1.932   0.403  1.00  0.00           C  
HETATM   30 BR   UNL     1      -6.845   1.130  -0.705  1.00  0.00          Br  
HETATM   31  C   UNL     1      -2.122  -3.195   2.126  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.466  -1.896   2.601  1.00  0.00           C  
HETATM   33  O   UNL     1       0.517   3.004  -1.084  1.00  0.00           O  
HETATM   34  O   UNL     1       0.907   3.175   1.353  1.00  0.00           O  
HETATM   35  N   UNL     1       2.508  -5.027  -0.395  1.00  0.00           N  
HETATM   36  H   UNL     1      -2.114   0.622   0.778  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.090   1.891   0.040  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.320  -1.737  -0.226  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.339  -3.006   0.503  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.145  -3.389   2.448  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.485  -4.074   2.027  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.397  -1.921   2.816  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.057  -1.237   3.236  1.00  0.00           H  
HETATM   44  H   UNL     1       4.279  -5.176   0.618  1.00  0.00           H  
HETATM   45  H   UNL     1       0.818  -1.509  -2.109  1.00  0.00           H  
HETATM   46  H   UNL     1       2.867   0.109  -1.147  1.00  0.00           H  
HETATM   47  H   UNL     1       1.413   0.747  -1.983  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.841   0.762  -0.283  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.454   0.175   1.364  1.00  0.00           H  
HETATM   50  H   UNL     1       1.915   0.484   1.036  1.00  0.00           H  
HETATM   51  H   UNL     1       3.470  -1.957  -2.103  1.00  0.00           H  
HETATM   52  H   UNL     1       2.461   3.878  -2.157  1.00  0.00           H  
HETATM   53  H   UNL     1       5.921   3.063   1.253  1.00  0.00           H  
HETATM   54  H   UNL     1       6.519   4.155  -0.872  1.00  0.00           H  
HETATM   55  H   UNL     1       4.788   4.567  -2.573  1.00  0.00           H  
HETATM   56  H   UNL     1       5.971  -4.624  -1.659  1.00  0.00           H  
HETATM   57  H   UNL     1       5.663  -3.022  -2.519  1.00  0.00           H  
HETATM   58  H   UNL     1       5.755  -1.809  -0.292  1.00  0.00           H  
HETATM   59  H   UNL     1       6.064  -3.411   0.568  1.00  0.00           H  
HETATM   60  H   UNL     1       2.135  -5.807   0.045  1.00  0.00           H  
CONECT    1    2    5    6   45                                       
CONECT    2    1    3   21                                            
CONECT    3    2    4   48   49                                       
CONECT    4    3    5    8   50                                       
CONECT    5    1    4   46   47                                       
CONECT    6    1    7    7   16                                       
CONECT    7    6    6                                                 
CONECT    8    4    9   33   33                                       
CONECT    8   34   34                                                 
CONECT    9    8   10   14   14                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   53                                       
CONECT   12   11   13   13   54                                       
CONECT   13   12   12   14   55                                       
CONECT   14    9    9   13   52                                       
CONECT   15   10                                                      
CONECT   16    6   17   51                                            
CONECT   17   16   18   19   20                                       
CONECT   18   17   35   35   44                                       
CONECT   19   17   20   56   57                                       
CONECT   20   17   19   58   59                                       
CONECT   21    2   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   31   32                                       
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   26   36                                       
CONECT   26   25   25   27   37                                       
CONECT   27   26   28   28   30                                       
CONECT   28   27   27   29   38                                       
CONECT   29   24   24   28   39                                       
CONECT   30   27                                                      
CONECT   31   23   32   40   41                                       
CONECT   32   23   31   42   43                                       
CONECT   33    8    8                                                 
CONECT   34    8    8                                                 
CONECT   35   18   18   60                                            
CONECT   36   25                                                      
CONECT   37   26                                                      
CONECT   38   28                                                      
CONECT   39   29                                                      
CONECT   40   31                                                      
CONECT   41   31                                                      
CONECT   42   32                                                      
CONECT   43   32                                                      
CONECT   44   18                                                      
CONECT   45    1                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51   16                                                      
CONECT   52   14                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
