COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.285   0.106   0.708  1.00  0.00           C  
HETATM    2  C   UNL     1       9.063  -0.729   1.097  1.00  0.00           C  
HETATM    3  C   UNL     1       8.289  -1.094  -0.144  1.00  0.00           C  
HETATM    4  O   UNL     1       8.676  -0.723  -1.231  1.00  0.00           O  
HETATM    5  N   UNL     1       7.166  -1.834  -0.044  1.00  0.00           N  
HETATM    6  C   UNL     1       6.169  -2.377  -0.979  1.00  0.00           C  
HETATM    7  C   UNL     1       5.149  -2.329   0.167  1.00  0.00           C  
HETATM    8  C   UNL     1       6.403  -2.458   1.047  1.00  0.00           C  
HETATM    9  N   UNL     1       4.449  -1.050   0.301  1.00  0.00           N  
HETATM   10  C   UNL     1       3.133  -0.968   0.019  1.00  0.00           C  
HETATM   11  O   UNL     1       2.529  -1.954  -0.346  1.00  0.00           O  
HETATM   12  C   UNL     1       2.413   0.349   0.157  1.00  0.00           C  
HETATM   13  O   UNL     1       1.039   0.179  -0.196  1.00  0.00           O  
HETATM   14  C   UNL     1       0.245   1.277  -0.125  1.00  0.00           C  
HETATM   15  C   UNL     1       0.775   2.495   0.276  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.034   3.611   0.349  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.379   3.525   0.022  1.00  0.00           C  
HETATM   18 BR   UNL     1      -2.473   5.064   0.126  1.00  0.00          Br  
HETATM   19  C   UNL     1      -1.921   2.323  -0.380  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.112   1.187  -0.463  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.686  -0.103  -0.891  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.096  -0.791  -1.702  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.863  -0.518  -0.384  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.750   0.225   0.520  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.939  -0.655   0.803  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.812  -1.801   0.159  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.528  -1.806  -0.627  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.788  -2.911   0.199  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.435  -4.133   0.772  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.351  -5.165   0.806  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.615  -4.990   0.274  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.971  -3.780  -0.295  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.068  -2.738  -0.330  1.00  0.00           C  
HETATM   34  H   UNL     1       9.958   1.015   0.203  1.00  0.00           H  
HETATM   35  H   UNL     1      10.845   0.370   1.605  1.00  0.00           H  
HETATM   36  H   UNL     1      10.922  -0.472   0.038  1.00  0.00           H  
HETATM   37  H   UNL     1       9.391  -1.639   1.601  1.00  0.00           H  
HETATM   38  H   UNL     1       8.426  -0.152   1.766  1.00  0.00           H  
HETATM   39  H   UNL     1       5.931  -1.701  -1.800  1.00  0.00           H  
HETATM   40  H   UNL     1       6.397  -3.388  -1.317  1.00  0.00           H  
HETATM   41  H   UNL     1       4.485  -3.193   0.206  1.00  0.00           H  
HETATM   42  H   UNL     1       6.689  -3.490   1.247  1.00  0.00           H  
HETATM   43  H   UNL     1       6.363  -1.849   1.950  1.00  0.00           H  
HETATM   44  H   UNL     1       4.932  -0.261   0.593  1.00  0.00           H  
HETATM   45  H   UNL     1       2.483   0.694   1.188  1.00  0.00           H  
HETATM   46  H   UNL     1       2.871   1.084  -0.505  1.00  0.00           H  
HETATM   47  H   UNL     1       1.821   2.569   0.533  1.00  0.00           H  
HETATM   48  H   UNL     1       0.383   4.557   0.662  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.969   2.260  -0.633  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.227   0.451   1.449  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.078   1.148   0.043  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.771  -0.389   1.438  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.742  -1.918  -1.690  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.891  -2.622  -0.287  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.448  -4.272   1.187  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.079  -6.112   1.249  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.328  -5.800   0.303  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.960  -3.650  -0.709  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.348  -1.793  -0.770  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    3    1   37   38                                       
CONECT    3    5    2    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    8    6    3                                            
CONECT    6    7    5   39   40                                       
CONECT    7    9    8    6   41                                       
CONECT    8    7    5   42   43                                       
CONECT    9   10    7   44                                            
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   45   46                                       
CONECT   13   14   12                                                 
CONECT   14   20   20   15   13                                       
CONECT   15   16   16   14   47                                       
CONECT   16   17   15   15   48                                       
CONECT   17   18   19   19   16                                       
CONECT   18   17                                                      
CONECT   19   17   17   20   49                                       
CONECT   20   19   21   14   14                                       
CONECT   21   22   22   20   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   27                                            
CONECT   24   23   25   50   51                                       
CONECT   25   24   26   26   52                                       
CONECT   26   25   25   27   28                                       
CONECT   27   23   26   53   54                                       
CONECT   28   26   33   33   29                                       
CONECT   29   28   30   30   55                                       
CONECT   30   29   29   31   56                                       
CONECT   31   32   32   30   57                                       
CONECT   32   33   31   31   58                                       
CONECT   33   28   28   32   59                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
