COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.990  -1.023  -0.192  1.00  0.00           C  
HETATM    2  N   UNL     1     -10.082  -0.826  -0.800  1.00  0.00           N  
HETATM    3  C   UNL     1     -11.355  -0.281  -1.279  1.00  0.00           C  
HETATM    4  C   UNL     1       3.476   1.672  -0.328  1.00  0.00           C  
HETATM    5  C   UNL     1       3.418   2.978  -0.701  1.00  0.00           C  
HETATM    6  C   UNL     1       4.685   0.824  -0.267  1.00  0.00           C  
HETATM    7  C   UNL     1       7.054   0.556  -0.553  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.446   2.357   1.767  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.129   1.389   0.625  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.609   0.085   0.960  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.912  -0.183   0.681  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.413  -1.463   0.875  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.735  -1.738   0.593  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.568  -0.730   0.113  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.062   0.554  -0.081  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.741   0.825   0.208  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.908  -0.138  -0.663  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.849  -2.102  -0.422  1.00  0.00           C  
HETATM   19  N   UNL     1      -8.603  -2.216  -0.057  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.639   1.336   0.411  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.032   0.306   0.620  1.00  0.00           O  
HETATM   22  N   UNL     1       0.021   2.432  -0.014  1.00  0.00           N  
HETATM   23  C   UNL     1       1.393   2.382  -0.212  1.00  0.00           C  
HETATM   24  N   UNL     1       2.184   1.294  -0.013  1.00  0.00           N  
HETATM   25  N   UNL     1       2.143   3.379  -0.622  1.00  0.00           N  
HETATM   26  C   UNL     1       5.930   1.352  -0.613  1.00  0.00           C  
HETATM   27  C   UNL     1       6.950  -0.765  -0.150  1.00  0.00           C  
HETATM   28  C   UNL     1       5.719  -1.293   0.199  1.00  0.00           C  
HETATM   29  C   UNL     1       4.587  -0.507   0.143  1.00  0.00           C  
HETATM   30 BR   UNL     1       8.496  -1.852  -0.078  1.00  0.00          Br  
HETATM   31  H   UNL     1     -11.413  -0.392  -2.362  1.00  0.00           H  
HETATM   32  H   UNL     1     -12.179  -0.821  -0.813  1.00  0.00           H  
HETATM   33  H   UNL     1     -11.419   0.775  -1.018  1.00  0.00           H  
HETATM   34  H   UNL     1       4.255   3.588  -1.007  1.00  0.00           H  
HETATM   35  H   UNL     1       8.017   0.962  -0.825  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.080   3.352   1.512  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.524   2.395   1.922  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.959   2.014   2.680  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.616   1.732  -0.288  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.766  -2.245   1.247  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.123  -2.735   0.743  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.706   1.338  -0.453  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.350   1.821   0.062  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.742   0.906  -0.885  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.579  -2.898  -0.422  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.464   3.255  -0.182  1.00  0.00           H  
HETATM   47  H   UNL     1       1.896   0.418   0.289  1.00  0.00           H  
HETATM   48  H   UNL     1       6.012   2.382  -0.927  1.00  0.00           H  
HETATM   49  H   UNL     1       5.644  -2.324   0.512  1.00  0.00           H  
HETATM   50  H   UNL     1       3.627  -0.920   0.417  1.00  0.00           H  
CONECT    1   14   19   17   17                                       
CONECT    2   18   17    3                                            
CONECT    3    2   31   32   33                                       
CONECT    4   24    5    5    6                                       
CONECT    5   25    4    4   34                                       
CONECT    6    4   26   26   29                                       
CONECT    7   26   27   27   35                                       
CONECT    8    9   36   37   38                                       
CONECT    9    8   10   20   39                                       
CONECT   10    9   11                                                 
CONECT   11   10   16   16   12                                       
CONECT   12   11   13   13   40                                       
CONECT   13   12   12   14   41                                       
CONECT   14   15   15   13    1                                       
CONECT   15   16   14   14   42                                       
CONECT   16   11   11   15   43                                       
CONECT   17    1    1    2   44                                       
CONECT   18   19   19    2   45                                       
CONECT   19    1   18   18                                            
CONECT   20    9   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   46                                            
CONECT   23   22   25   25   24                                       
CONECT   24   23    4   47                                            
CONECT   25   23   23    5                                            
CONECT   26    6    6    7   48                                       
CONECT   27    7    7   28   30                                       
CONECT   28   29   29   27   49                                       
CONECT   29    6   28   28   50                                       
CONECT   30   27                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
