COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.261   0.724   2.187  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.937  -0.582   1.715  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.776   0.538   1.806  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.780  -1.404   1.104  1.00  0.00           C  
HETATM    5  C   UNL     1       4.993   0.586  -2.771  1.00  0.00           C  
HETATM    6  C   UNL     1       6.054  -0.357  -2.161  1.00  0.00           C  
HETATM    7  C   UNL     1       3.786   0.461  -1.815  1.00  0.00           C  
HETATM    8  C   UNL     1       5.362  -0.940  -0.909  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.178   1.863   1.331  1.00  0.00           C  
HETATM   10  C   UNL     1       3.093   1.816  -1.652  1.00  0.00           C  
HETATM   11  C   UNL     1       6.918  -2.253   0.359  1.00  0.00           C  
HETATM   12  C   UNL     1       6.578  -0.056   0.963  1.00  0.00           C  
HETATM   13  C   UNL     1       7.847  -2.430   1.386  1.00  0.00           C  
HETATM   14  C   UNL     1       7.482  -0.151   2.006  1.00  0.00           C  
HETATM   15  C   UNL     1       8.135  -1.350   2.229  1.00  0.00           C  
HETATM   16  C   UNL     1       8.515  -3.734   1.579  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.666  -1.910  -1.288  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.238  -3.038   0.045  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.103  -2.596  -2.370  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.151  -3.526  -2.212  1.00  0.00           C  
HETATM   21  N   UNL     1       6.327  -1.090   0.183  1.00  0.00           N1+
HETATM   22  N   UNL     1       9.410  -3.892   2.575  1.00  0.00           N  
HETATM   23  N   UNL     1      -6.244  -2.139  -0.075  1.00  0.00           N  
HETATM   24  N   UNL     1      -7.615  -4.237  -3.294  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.687  -3.713  -1.012  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.790  -0.423   0.727  1.00  0.00           O  
HETATM   27  O   UNL     1       4.353   0.032  -0.558  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.816   1.850   1.504  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.930  -0.304   0.725  1.00  0.00           O  
HETATM   30  O   UNL     1       5.474   1.931  -2.797  1.00  0.00           O  
HETATM   31  O   UNL     1       7.223   0.377  -1.791  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.778   1.697   1.094  1.00  0.00           O  
HETATM   33  O   UNL     1       1.915   1.656  -0.859  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.350   2.317   0.301  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.380   3.464  -0.664  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.751   4.036   1.713  1.00  0.00           O  
HETATM   37  O   UNL     1       0.500   3.559  -1.725  1.00  0.00           O  
HETATM   38  O   UNL     1       1.723   3.927   0.452  1.00  0.00           O  
HETATM   39  O   UNL     1       8.257  -4.665   0.841  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.744  -3.231   1.138  1.00  0.00           O  
HETATM   41  P   UNL     1      -1.827   2.891   0.584  1.00  0.00           P  
HETATM   42  P   UNL     1       0.938   2.880  -0.485  1.00  0.00           P  
HETATM   43  H   UNL     1      -6.367   0.841   3.266  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.377  -1.112   2.560  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.213   0.148   2.653  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.372  -2.093   1.844  1.00  0.00           H  
HETATM   47  H   UNL     1       4.721   0.257  -3.774  1.00  0.00           H  
HETATM   48  H   UNL     1       6.307  -1.152  -2.863  1.00  0.00           H  
HETATM   49  H   UNL     1       3.082  -0.283  -2.188  1.00  0.00           H  
HETATM   50  H   UNL     1       4.900  -1.899  -1.143  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.668   2.173   0.408  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.329   2.625   2.096  1.00  0.00           H  
HETATM   53  H   UNL     1       3.771   2.513  -1.159  1.00  0.00           H  
HETATM   54  H   UNL     1       2.822   2.206  -2.633  1.00  0.00           H  
HETATM   55  H   UNL     1       6.686  -3.077  -0.300  1.00  0.00           H  
HETATM   56  H   UNL     1       6.070   0.880   0.784  1.00  0.00           H  
HETATM   57  H   UNL     1       7.679   0.703   2.637  1.00  0.00           H  
HETATM   58  H   UNL     1       8.848  -1.451   3.034  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.865  -1.192  -1.383  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.657  -2.433  -3.340  1.00  0.00           H  
HETATM   61  H   UNL     1       9.616  -3.149   3.164  1.00  0.00           H  
HETATM   62  H   UNL     1       9.848  -4.748   2.702  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.220  -4.099  -4.170  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.335  -4.877  -3.182  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.762   1.978   1.660  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.651   0.260   1.039  1.00  0.00           H  
HETATM   67  H   UNL     1       6.268   2.055  -3.334  1.00  0.00           H  
HETATM   68  H   UNL     1       7.663   0.814  -2.533  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.396   3.731   2.559  1.00  0.00           H  
HETATM   70  H   UNL     1       2.040   3.550   1.284  1.00  0.00           H  
CONECT    1   28    2    3   43                                       
CONECT    2   29    1    4   44                                       
CONECT    3    1    9   26   45                                       
CONECT    4    2   26   23   46                                       
CONECT    5   30    6    7   47                                       
CONECT    6   31    5    8   48                                       
CONECT    7   10    5   27   49                                       
CONECT    8    6   21   27   50                                       
CONECT    9    3   32   51   52                                       
CONECT   10   33    7   53   54                                       
CONECT   11   21   21   13   55                                       
CONECT   12   14   14   21   56                                       
CONECT   13   15   15   11   16                                       
CONECT   14   12   12   15   57                                       
CONECT   15   14   13   13   58                                       
CONECT   16   13   39   39   22                                       
CONECT   17   23   19   19   59                                       
CONECT   18   40   40   23   25                                       
CONECT   19   17   17   20   60                                       
CONECT   20   25   25   19   24                                       
CONECT   21   12    8   11   11                                       
CONECT   22   16   61   62                                            
CONECT   23    4   18   17                                            
CONECT   24   20   63   64                                            
CONECT   25   18   20   20                                            
CONECT   26    3    4                                                 
CONECT   27    7    8                                                 
CONECT   28    1   65                                                 
CONECT   29    2   66                                                 
CONECT   30    5   67                                                 
CONECT   31    6   68                                                 
CONECT   32    9   41                                                 
CONECT   33   42   10                                                 
CONECT   34   41   42                                                 
CONECT   35   41   41                                                 
CONECT   36   41   69                                                 
CONECT   37   42   42                                                 
CONECT   38   42   70                                                 
CONECT   39   16   16                                                 
CONECT   40   18   18                                                 
CONECT   41   35   35   32   36                                       
CONECT   41   34                                                      
CONECT   42   37   37   38   34                                       
CONECT   42   33                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   36                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
