COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.472   2.026  -1.226  1.00  0.00           C  
HETATM    2  C   UNL     1       0.072   2.939  -2.292  1.00  0.00           C  
HETATM    3  C   UNL     1       1.359   2.664  -1.873  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.959   0.119  -2.376  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.069   0.661  -3.019  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.337   1.474  -0.589  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.871   3.460   0.675  1.00  0.00           C  
HETATM    8  C   UNL     1       0.721  -1.321   3.076  1.00  0.00           C  
HETATM    9  C   UNL     1       1.891  -0.819   2.539  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.480  -1.100   2.420  1.00  0.00           C  
HETATM   11  C   UNL     1       0.542   0.180   0.804  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.736   2.944   1.347  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.309   2.856   3.135  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.960   1.942   0.718  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.630  -1.418  -2.216  1.00  0.00           C  
HETATM   16  C   UNL     1       7.649   0.284  -0.077  1.00  0.00           C  
HETATM   17  C   UNL     1       7.506   1.193  -1.128  1.00  0.00           C  
HETATM   18  C   UNL     1       6.295   1.719  -1.454  1.00  0.00           C  
HETATM   19  C   UNL     1       6.581  -0.101   0.676  1.00  0.00           C  
HETATM   20  C   UNL     1       5.296   0.382   0.371  1.00  0.00           C  
HETATM   21  C   UNL     1       5.149   1.320  -0.743  1.00  0.00           C  
HETATM   22  C   UNL     1       3.019   0.412   0.670  1.00  0.00           C  
HETATM   23  C   UNL     1       2.875   1.306  -0.424  1.00  0.00           C  
HETATM   24  C   UNL     1       1.809  -0.074   1.364  1.00  0.00           C  
HETATM   25  C   UNL     1       0.398   1.084  -0.315  1.00  0.00           C  
HETATM   26  C   UNL     1       1.534   1.702  -0.878  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.988   2.215  -1.763  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.222   3.022  -0.556  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.557   1.867   2.503  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.351  -2.593  -2.915  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.755  -3.772  -1.538  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.031  -2.571  -0.840  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.384  -4.968  -1.123  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.248  -4.985  -0.081  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.559  -3.808   0.637  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.944  -2.588   0.264  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.667  -2.677   2.299  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.047  -1.485   1.926  1.00  0.00           C  
HETATM   39  N   UNL     1       4.217   0.002   1.054  1.00  0.00           N  
HETATM   40  N   UNL     1       3.935   1.758  -1.072  1.00  0.00           N  
HETATM   41  N   UNL     1      -0.532  -0.385   1.307  1.00  0.00           N1+
HETATM   42  N   UNL     1      -0.797   1.306  -0.819  1.00  0.00           N1+
HETATM   43  N   UNL     1      -3.620   0.543  -1.175  1.00  0.00           N1+
HETATM   44  N   UNL     1      -5.801   1.593  -2.444  1.00  0.00           N  
HETATM   45  N   UNL     1      -4.375   3.373   2.556  1.00  0.00           N  
HETATM   46  N   UNL     1      -2.900   1.428   1.307  1.00  0.00           N1+
HETATM   47  N   UNL     1      -1.462  -1.441  -1.190  1.00  0.00           N1+
HETATM   48  N   UNL     1      -0.909  -3.735  -2.569  1.00  0.00           N  
HETATM   49  N   UNL     1      -3.196  -1.471   0.914  1.00  0.00           N1+
HETATM   50  N   UNL     1      -4.415  -3.802   1.661  1.00  0.00           N  
HETATM   51 BR   UNL     1       9.360  -0.430   0.307  1.00  0.00          Br  
HETATM   52 RU   UNL     1      -2.099   0.021   0.079  1.00  0.00          Ru  
HETATM   53  H   UNL     1      -0.111   3.704  -3.030  1.00  0.00           H  
HETATM   54  H   UNL     1       2.202   3.184  -2.295  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.373  -0.646  -2.865  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.338   0.308  -4.006  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.471   4.223   1.155  1.00  0.00           H  
HETATM   58  H   UNL     1       0.740  -1.886   3.995  1.00  0.00           H  
HETATM   59  H   UNL     1       2.839  -0.996   3.017  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.392  -1.519   2.826  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.014   3.204   4.116  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.163  -0.491  -2.513  1.00  0.00           H  
HETATM   63  H   UNL     1       8.380   1.475  -1.702  1.00  0.00           H  
HETATM   64  H   UNL     1       6.213   2.433  -2.260  1.00  0.00           H  
HETATM   65  H   UNL     1       6.721  -0.787   1.498  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.992   2.410  -2.117  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.095   3.443  -1.038  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.686   1.457   2.996  1.00  0.00           H  
HETATM   69  H   UNL     1       0.333  -2.565  -3.752  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.169  -5.891  -1.647  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.710  -5.921   0.207  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.364  -2.679   3.127  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.263  -0.573   2.463  1.00  0.00           H  
CONECT    1   44   44    6   28                                       
CONECT    2   27    3    3   53                                       
CONECT    3    2    2   26   54                                       
CONECT    4    5    5   43   55                                       
CONECT    5    4    4   44   56                                       
CONECT    6   43   43    1   14                                       
CONECT    7   28   28   12   57                                       
CONECT    8   10   10    9   58                                       
CONECT    9    8   24   24   59                                       
CONECT   10    8    8   41   60                                       
CONECT   11   41   41   24   25                                       
CONECT   12   14    7   45   45                                       
CONECT   13   29   29   45   61                                       
CONECT   14    6   46   46   12                                       
CONECT   15   30   30   47   62                                       
CONECT   16   19   17   17   51                                       
CONECT   17   16   16   18   63                                       
CONECT   18   21   21   17   64                                       
CONECT   19   20   20   16   65                                       
CONECT   20   39   19   19   21                                       
CONECT   21   20   40   18   18                                       
CONECT   22   24   39   39   23                                       
CONECT   23   22   26   40   40                                       
CONECT   24    9    9   11   22                                       
CONECT   25   11   42   26   26                                       
CONECT   26   25   25    3   23                                       
CONECT   27   42   42    2   66                                       
CONECT   28    1    7    7   67                                       
CONECT   29   46   13   13   68                                       
CONECT   30   48   15   15   69                                       
CONECT   31   33   48   48   32                                       
CONECT   32   31   36   47   47                                       
CONECT   33   34   34   31   70                                       
CONECT   34   33   33   35   71                                       
CONECT   35   34   50   50   36                                       
CONECT   36   35   32   49   49                                       
CONECT   37   50   38   38   72                                       
CONECT   38   37   37   49   73                                       
CONECT   39   22   22   20                                            
CONECT   40   23   23   21                                            
CONECT   41   10   52   11   11                                       
CONECT   42   52   27   27   25                                       
CONECT   43    4   52    6    6                                       
CONECT   44    5    1    1                                            
CONECT   45   12   12   13                                            
CONECT   46   52   14   14   29                                       
CONECT   47   32   32   15   52                                       
CONECT   48   31   31   30                                            
CONECT   49   36   36   38   52                                       
CONECT   50   35   35   37                                            
CONECT   51   16                                                      
CONECT   52   47   49   43   41                                       
CONECT   52   42   46                                                 
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
