COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.751  -0.963 -11.848  1.00  0.00           C  
HETATM    2  C   UNL     1       2.475   0.016 -11.024  1.00  0.00           C  
HETATM    3  C   UNL     1       1.181   0.010 -10.252  1.00  0.00           C  
HETATM    4  N   UNL     1       1.469   0.008  -8.812  1.00  0.00           N  
HETATM    5  C   UNL     1       0.173   0.003  -8.121  1.00  0.00           C  
HETATM    6  C   UNL     1       0.400   0.000  -6.608  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.950  -0.005  -5.890  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.722  -0.007  -4.377  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.073  -0.013  -3.658  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.845  -0.016  -2.145  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.107  -0.021  -1.473  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.280  -0.035   4.413  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.842  -0.023  -0.141  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.624  -0.034   3.094  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.515  -0.020   0.298  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.217  -0.022   1.627  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.017  -0.031   4.809  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.003  -0.028   3.960  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.255  -0.027   2.569  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.602  -0.030   2.125  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.878  -0.023   0.752  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.611  -0.025   4.464  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.269   0.750   5.573  1.00  0.00           C  
HETATM   24  C   UNL     1       1.028   0.749   6.038  1.00  0.00           C  
HETATM   25  C   UNL     1       1.992  -0.019   5.408  1.00  0.00           C  
HETATM   26  C   UNL     1       1.659  -0.791   4.308  1.00  0.00           C  
HETATM   27  C   UNL     1       0.362  -0.801   3.836  1.00  0.00           C  
HETATM   28 BR   UNL     1       3.770  -0.015   6.052  1.00  0.00          Br  
HETATM   29  C   UNL     1       2.105   1.297  -8.506  1.00  0.00           C  
HETATM   30  H   UNL     1       3.679  -0.959 -12.401  1.00  0.00           H  
HETATM   31  H   UNL     1       2.050  -1.775 -11.975  1.00  0.00           H  
HETATM   32  H   UNL     1       3.176   0.828 -10.896  1.00  0.00           H  
HETATM   33  H   UNL     1       0.609  -0.880 -10.509  1.00  0.00           H  
HETATM   34  H   UNL     1       0.603   0.899 -10.505  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.391   0.892  -8.402  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.386  -0.888  -8.406  1.00  0.00           H  
HETATM   37  H   UNL     1       0.965  -0.888  -6.328  1.00  0.00           H  
HETATM   38  H   UNL     1       0.960   0.891  -6.324  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.514   0.883  -6.171  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.509  -0.896  -6.174  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.157  -0.896  -4.096  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.163   0.883  -4.092  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.638   0.875  -3.939  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.632  -0.904  -3.943  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.280  -0.905  -1.864  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.286   0.874  -1.860  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.062  -0.038   5.157  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.662  -0.036   2.797  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.714  -0.017  -0.425  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.188  -0.020   1.953  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.899  -0.025   0.401  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.020   1.350   6.065  1.00  0.00           H  
HETATM   53  H   UNL     1       1.294   1.349   6.896  1.00  0.00           H  
HETATM   54  H   UNL     1       2.414  -1.389   3.820  1.00  0.00           H  
HETATM   55  H   UNL     1       0.103  -1.404   2.978  1.00  0.00           H  
HETATM   56  H   UNL     1       2.239   1.390  -7.429  1.00  0.00           H  
HETATM   57  H   UNL     1       3.075   1.349  -8.999  1.00  0.00           H  
HETATM   58  H   UNL     1       1.471   2.108  -8.865  1.00  0.00           H  
CONECT    1    2    2   30   31                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2    4   33   34                                       
CONECT    4    3    5   29                                            
CONECT    5    4    6   35   36                                       
CONECT    6    5    7   37   38                                       
CONECT    7    6    8   39   40                                       
CONECT    8    7    9   41   42                                       
CONECT    9    8   10   43   44                                       
CONECT   10    9   11   45   46                                       
CONECT   11   10   13                                                 
CONECT   12   14   14   17   47                                       
CONECT   13   11   15   15   21                                       
CONECT   14   12   12   20   48                                       
CONECT   15   13   13   16   49                                       
CONECT   16   15   19   19   50                                       
CONECT   17   12   18   18                                            
CONECT   18   17   17   19   22                                       
CONECT   19   16   16   18   20                                       
CONECT   20   14   19   21   21                                       
CONECT   21   13   20   20   51                                       
CONECT   22   18   23   23   27                                       
CONECT   23   22   22   24   52                                       
CONECT   24   23   25   25   53                                       
CONECT   25   24   24   26   28                                       
CONECT   26   25   27   27   54                                       
CONECT   27   22   26   26   55                                       
CONECT   28   25                                                      
CONECT   29    4   56   57   58                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
