COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.251   1.563   0.241  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.462   0.735  -0.843  1.00  0.00           C  
HETATM    3  C   UNL     1       9.460   2.070   1.529  1.00  0.00           C  
HETATM    4  C   UNL     1      10.422   3.092   1.706  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.944  -1.082  -0.482  1.00  0.00           C  
HETATM    6  C   UNL     1       7.929   0.544   1.680  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.022  -2.145   0.119  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.374  -1.308   0.014  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.571  -0.292  -0.263  1.00  0.00           C  
HETATM   10  N   UNL     1      11.097   3.533   0.622  1.00  0.00           N  
HETATM   11  N   UNL     1      11.550   3.467  -1.691  1.00  0.00           N  
HETATM   12  N   UNL     1       9.962   2.046  -0.785  1.00  0.00           N  
HETATM   13  C   UNL     1       7.727  -0.210  -0.721  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.944   1.708  -1.701  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.776   2.667  -2.243  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.123   2.671  -1.941  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.653   1.705  -1.086  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.103   1.708  -0.768  1.00  0.00           C  
HETATM   19  C   UNL     1      10.849   2.999  -0.608  1.00  0.00           C  
HETATM   20  C   UNL     1       8.622  -1.441  -0.964  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.936   2.683  -1.314  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.283   2.681  -1.015  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.808   1.715  -0.176  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.985   0.744   0.369  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.636   0.734   0.072  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.823   0.732  -0.540  1.00  0.00           C  
HETATM   27  C   UNL     1       7.675  -2.646  -0.748  1.00  0.00           C  
HETATM   28  C   UNL     1       6.279  -2.003  -0.947  1.00  0.00           C  
HETATM   29  C   UNL     1       5.204  -2.811  -0.218  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.256  -0.290  -0.561  1.00  0.00           N  
HETATM   31  N   UNL     1       8.622   1.408   2.363  1.00  0.00           N  
HETATM   32  N   UNL     1       8.283   0.604   0.363  1.00  0.00           N  
HETATM   33  O   UNL     1       2.324  -4.357  -0.485  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.023  -1.138   0.483  1.00  0.00           O  
HETATM   35  O   UNL     1       3.916  -2.266  -0.512  1.00  0.00           O  
HETATM   36  O   UNL     1       7.912  -3.662  -1.724  1.00  0.00           O  
HETATM   37  O   UNL     1       1.314  -1.934  -0.345  1.00  0.00           O  
HETATM   38  O   UNL     1       2.639  -2.919   1.565  1.00  0.00           O  
HETATM   39  O   UNL     1       6.424  -0.694  -0.355  1.00  0.00           O  
HETATM   40  O   UNL     1      10.636   3.564   2.810  1.00  0.00           O  
HETATM   41  P   UNL     1       2.550  -2.870   0.088  1.00  0.00           P  
HETATM   42 BR   UNL     1     -11.710  -0.572   1.516  1.00  0.00          Br  
HETATM   43  H   UNL     1      -0.605  -0.092  -0.176  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.921  -1.153  -1.569  1.00  0.00           H  
HETATM   45  H   UNL     1       7.184  -0.120   2.093  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.045  -2.074   1.206  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.360  -3.135  -0.188  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.712  -2.298  -0.293  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.397  -1.237   1.101  1.00  0.00           H  
HETATM   50  H   UNL     1      11.762   4.233   0.719  1.00  0.00           H  
HETATM   51  H   UNL     1      12.211   4.168  -1.575  1.00  0.00           H  
HETATM   52  H   UNL     1      11.384   3.097  -2.572  1.00  0.00           H  
HETATM   53  H   UNL     1       7.659   0.384  -1.633  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.891   1.710  -1.940  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.371   3.418  -2.905  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.769   3.424  -2.368  1.00  0.00           H  
HETATM   57  H   UNL     1       9.008  -1.437  -1.983  1.00  0.00           H  
HETATM   58  H   UNL     1       9.442  -1.464  -0.246  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.528   3.438  -1.969  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.930   3.436  -1.438  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.862   1.720   0.058  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.995  -0.024   0.498  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.229  -0.018   0.122  1.00  0.00           H  
HETATM   64  H   UNL     1       7.779  -3.047   0.261  1.00  0.00           H  
HETATM   65  H   UNL     1       6.042  -1.920  -2.007  1.00  0.00           H  
HETATM   66  H   UNL     1       5.243  -3.849  -0.549  1.00  0.00           H  
HETATM   67  H   UNL     1       5.381  -2.765   0.857  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.895   0.384  -1.157  1.00  0.00           H  
HETATM   69  H   UNL     1       2.256  -4.401  -1.449  1.00  0.00           H  
HETATM   70  H   UNL     1       8.805  -4.032  -1.698  1.00  0.00           H  
CONECT    1    3    3   12   32                                       
CONECT    2   26    9   14   14                                       
CONECT    3    4    1    1   31                                       
CONECT    4   40   40   10    3                                       
CONECT    5    8    7   43   44                                       
CONECT    6   31   31   32   45                                       
CONECT    7   37    5   46   47                                       
CONECT    8   30    5   48   49                                       
CONECT    9   34   34    2   30                                       
CONECT   10    4   19   50                                            
CONECT   11   19   51   52                                            
CONECT   12   19   19    1                                            
CONECT   13   32   39   20   53                                       
CONECT   14    2    2   15   54                                       
CONECT   15   16   16   14   55                                       
CONECT   16   17   15   15   56                                       
CONECT   17   18   26   26   16                                       
CONECT   18   25   25   21   17                                       
CONECT   19   10   11   12   12                                       
CONECT   20   27   13   57   58                                       
CONECT   21   22   22   18   59                                       
CONECT   22   23   21   21   60                                       
CONECT   23   24   24   22   61                                       
CONECT   24   42   23   23   25                                       
CONECT   25   24   18   18   62                                       
CONECT   26   17   17    2   63                                       
CONECT   27   28   36   20   64                                       
CONECT   28   29   39   27   65                                       
CONECT   29   35   28   66   67                                       
CONECT   30    9    8   68                                            
CONECT   31    3    6    6                                            
CONECT   32    1    6   13                                            
CONECT   33   41   69                                                 
CONECT   34    9    9                                                 
CONECT   35   41   29                                                 
CONECT   36   27   70                                                 
CONECT   37   41    7                                                 
CONECT   38   41   41                                                 
CONECT   39   28   13                                                 
CONECT   40    4    4                                                 
CONECT   41   38   38   37   35                                       
CONECT   41   33                                                      
CONECT   42   24                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   33                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
