COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.158  -0.870   2.848  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.443  -0.414   2.620  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.210  -0.787   1.843  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.787   0.119   1.395  1.00  0.00           C  
HETATM    5  C   UNL     1       5.184   0.458   0.659  1.00  0.00           C  
HETATM    6  C   UNL     1       4.913  -0.884   0.507  1.00  0.00           C  
HETATM    7  C   UNL     1       2.659  -0.344  -0.086  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.547  -0.251   0.621  1.00  0.00           C  
HETATM    9  C   UNL     1       2.921   1.016   0.063  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.840   0.202   0.377  1.00  0.00           C  
HETATM   11  C   UNL     1       4.187   1.413   0.449  1.00  0.00           C  
HETATM   12  C   UNL     1       3.641  -1.286   0.136  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.774   0.610  -1.594  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.098   0.573  -0.711  1.00  0.00           C  
HETATM   15  C   UNL     1       1.920   3.303   0.443  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.575   0.903  -0.419  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.219  -1.324  -1.219  1.00  0.00           C  
HETATM   18  C   UNL     1       3.206   3.983  -0.047  1.00  0.00           C  
HETATM   19  C   UNL     1       1.788   1.952  -0.243  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.394  -0.100  -0.336  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.783  -0.018  -0.652  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.940   0.701  -0.924  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.753  -1.138  -1.337  1.00  0.00           N  
HETATM   24  O   UNL     1      -4.565   0.965  -2.735  1.00  0.00           O  
HETATM   25  O   UNL     1       0.359   0.428  -1.819  1.00  0.00           O  
HETATM   26  O   UNL     1       0.547   1.334   0.187  1.00  0.00           O  
HETATM   27  S   UNL     1       4.605   3.107   0.710  1.00  0.00           S  
HETATM   28 BR   UNL     1       3.254  -3.124  -0.075  1.00  0.00          Br  
HETATM   29  H   UNL     1      -4.893  -1.286   3.809  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.182  -0.475   3.405  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.205  -1.142   2.019  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.793   0.473   1.225  1.00  0.00           H  
HETATM   33  H   UNL     1       6.175   0.774   0.949  1.00  0.00           H  
HETATM   34  H   UNL     1       5.688  -1.618   0.675  1.00  0.00           H  
HETATM   35  H   UNL     1       1.969   3.165   1.523  1.00  0.00           H  
HETATM   36  H   UNL     1       1.061   3.925   0.193  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.682   1.452   0.516  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.445   1.589  -1.256  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.437  -2.149  -0.542  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.651  -1.522  -2.200  1.00  0.00           H  
HETATM   41  H   UNL     1       3.269   3.918  -1.133  1.00  0.00           H  
HETATM   42  H   UNL     1       3.214   5.028   0.263  1.00  0.00           H  
HETATM   43  H   UNL     1       1.744   2.105  -1.321  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.326  -0.532   0.662  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.754   1.067  -1.302  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.500  -0.845  -2.269  1.00  0.00           H  
HETATM   47  H   UNL     1       1.670  -0.667  -0.374  1.00  0.00           H  
CONECT    1    3    3    2   29                                       
CONECT    2    1    4    4   30                                       
CONECT    3    1    1    8   31                                       
CONECT    4    2    2   10   32                                       
CONECT    5    6    6   11   33                                       
CONECT    6   12    5    5   34                                       
CONECT    7   12   12    9   47                                       
CONECT    8    3   21   10   10                                       
CONECT    9    7   19   11   11                                       
CONECT   10    8    8    4   22                                       
CONECT   11    9    9    5   27                                       
CONECT   12   28    7    7    6                                       
CONECT   13   21   24   24   22                                       
CONECT   14   20   25   25   26                                       
CONECT   15   19   18   35   36                                       
CONECT   16   20   21   37   38                                       
CONECT   17   23   21   39   40                                       
CONECT   18   15   27   41   42                                       
CONECT   19   26    9   15   43                                       
CONECT   20   23   16   14   44                                       
CONECT   21   17   16    8   13                                       
CONECT   22   10   13   45                                            
CONECT   23   20   17   46                                            
CONECT   24   13   13                                                 
CONECT   25   14   14                                                 
CONECT   26   14   19                                                 
CONECT   27   11   18                                                 
CONECT   28   12                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47    7                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
