COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.063  -1.998   1.882  1.00  0.00           O  
HETATM    2  C   UNL     1       5.845  -1.696   1.360  1.00  0.00           C  
HETATM    3  C   UNL     1       4.691  -2.047   2.047  1.00  0.00           C  
HETATM    4  C   UNL     1       3.454  -1.742   1.520  1.00  0.00           C  
HETATM    5  C   UNL     1       5.759  -1.032   0.144  1.00  0.00           C  
HETATM    6  C   UNL     1       4.524  -0.724  -0.389  1.00  0.00           C  
HETATM    7  C   UNL     1       3.363  -1.080   0.296  1.00  0.00           C  
HETATM    8  C   UNL     1       2.035  -0.751  -0.274  1.00  0.00           C  
HETATM    9  C   UNL     1       1.051  -1.731  -0.368  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.185  -1.420  -0.899  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.427  -2.664  -1.015  1.00  0.00           S  
HETATM   12  O   UNL     1      -2.224  -2.628   0.280  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.082  -1.577   0.372  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.383  -1.700  -0.093  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.253  -0.632   0.002  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.828   0.560   0.560  1.00  0.00           C  
HETATM   17 BR   UNL     1      -6.020   2.024   0.682  1.00  0.00          Br  
HETATM   18  C   UNL     1      -3.531   0.685   1.025  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.659  -0.383   0.937  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.315  -2.250  -2.045  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.745  -3.911  -1.032  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.454  -0.135  -1.339  1.00  0.00           C  
HETATM   23  C   UNL     1       0.510   0.849  -1.253  1.00  0.00           C  
HETATM   24  C   UNL     1       1.760   0.554  -0.716  1.00  0.00           C  
HETATM   25  C   UNL     1       2.798   1.607  -0.621  1.00  0.00           C  
HETATM   26  C   UNL     1       3.106   2.387  -1.735  1.00  0.00           C  
HETATM   27  C   UNL     1       4.073   3.366  -1.644  1.00  0.00           C  
HETATM   28  C   UNL     1       4.739   3.576  -0.444  1.00  0.00           C  
HETATM   29  O   UNL     1       5.695   4.538  -0.359  1.00  0.00           O  
HETATM   30  C   UNL     1       4.435   2.801   0.667  1.00  0.00           C  
HETATM   31  C   UNL     1       3.465   1.824   0.584  1.00  0.00           C  
HETATM   32  H   UNL     1       7.426  -1.310   2.456  1.00  0.00           H  
HETATM   33  H   UNL     1       4.762  -2.560   2.994  1.00  0.00           H  
HETATM   34  H   UNL     1       2.556  -2.016   2.054  1.00  0.00           H  
HETATM   35  H   UNL     1       6.659  -0.757  -0.386  1.00  0.00           H  
HETATM   36  H   UNL     1       4.458  -0.207  -1.335  1.00  0.00           H  
HETATM   37  H   UNL     1       1.255  -2.735  -0.027  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.715  -2.631  -0.529  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.266  -0.727  -0.361  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.201   1.617   1.461  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.647  -0.285   1.300  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.424   0.098  -1.753  1.00  0.00           H  
HETATM   43  H   UNL     1       0.293   1.849  -1.599  1.00  0.00           H  
HETATM   44  H   UNL     1       2.588   2.224  -2.669  1.00  0.00           H  
HETATM   45  H   UNL     1       4.312   3.970  -2.507  1.00  0.00           H  
HETATM   46  H   UNL     1       6.585   4.228  -0.577  1.00  0.00           H  
HETATM   47  H   UNL     1       4.955   2.967   1.599  1.00  0.00           H  
HETATM   48  H   UNL     1       3.229   1.222   1.449  1.00  0.00           H  
CONECT    1    2   32                                                 
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    7    7   34                                       
CONECT    5    2    6    6   35                                       
CONECT    6    5    5    7   36                                       
CONECT    7    4    4    6    8                                       
CONECT    8   24    7    9    9                                       
CONECT    9    8    8   10   37                                       
CONECT   10   22   22    9   11                                       
CONECT   11   10   12   21   21                                       
CONECT   11   20   20                                                 
CONECT   12   13   11                                                 
CONECT   13   19   19   14   12                                       
CONECT   14   15   15   13   38                                       
CONECT   15   16   14   14   39                                       
CONECT   16   17   18   18   15                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   40                                       
CONECT   19   18   13   13   41                                       
CONECT   20   11   11                                                 
CONECT   21   11   11                                                 
CONECT   22   23   10   10   42                                       
CONECT   23   24   24   22   43                                       
CONECT   24   25   23   23    8                                       
CONECT   25   31   31   26   24                                       
CONECT   26   27   27   25   44                                       
CONECT   27   28   26   26   45                                       
CONECT   28   29   30   30   27                                       
CONECT   29   28   46                                                 
CONECT   30   28   28   31   47                                       
CONECT   31   30   25   25   48                                       
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
