COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.224  -1.107  -1.052  1.00  0.00           O  
HETATM    2  N   UNL     1       5.780   2.637  -3.325  1.00  0.00           N  
HETATM    3  N   UNL     1       6.443   3.207  -4.031  1.00  0.00           N1+
HETATM    4  N   UNL     1       7.105   3.778  -4.737  1.00  0.00           N1-
HETATM    5  N   UNL     1       6.962   2.745   1.134  1.00  0.00           N  
HETATM    6  C   UNL     1       6.850   3.910   1.843  1.00  0.00           C  
HETATM    7  C   UNL     1       7.731   1.738   1.587  1.00  0.00           C  
HETATM    8  O   UNL     1       7.811   0.709   0.943  1.00  0.00           O  
HETATM    9  N   UNL     1       8.412   1.853   2.741  1.00  0.00           N  
HETATM   10  C   UNL     1       8.333   2.987   3.467  1.00  0.00           C  
HETATM   11  O   UNL     1       8.950   3.092   4.512  1.00  0.00           O  
HETATM   12  C   UNL     1       7.523   4.052   3.005  1.00  0.00           C  
HETATM   13  C   UNL     1       7.418   5.330   3.796  1.00  0.00           C  
HETATM   14  C   UNL     1       7.217   2.465  -1.316  1.00  0.00           C  
HETATM   15  C   UNL     1       5.320  -0.495  -1.734  1.00  0.00           C  
HETATM   16  C   UNL     1       5.265   1.021  -1.529  1.00  0.00           C  
HETATM   17  O   UNL     1       5.516   1.336  -0.149  1.00  0.00           O  
HETATM   18  C   UNL     1       6.232   2.590  -0.127  1.00  0.00           C  
HETATM   19  C   UNL     1       6.368   1.702  -2.362  1.00  0.00           C  
HETATM   20  P   UNL     1       3.968  -2.697  -1.053  1.00  0.00           P  
HETATM   21  O   UNL     1       5.178  -3.435  -0.289  1.00  0.00           O  
HETATM   22  O   UNL     1       3.896  -3.184  -2.449  1.00  0.00           O  
HETATM   23  O   UNL     1       2.582  -3.018  -0.301  1.00  0.00           O  
HETATM   24  P   UNL     1       1.624  -4.310  -0.224  1.00  0.00           P  
HETATM   25  O   UNL     1       2.229  -5.364   0.832  1.00  0.00           O  
HETATM   26  O   UNL     1       1.541  -4.942  -1.559  1.00  0.00           O  
HETATM   27  O   UNL     1       0.153  -3.860   0.250  1.00  0.00           O  
HETATM   28  P   UNL     1      -1.293  -4.568   0.233  1.00  0.00           P  
HETATM   29  O   UNL     1      -1.463  -5.313  -1.034  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.406  -5.588   1.474  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.442  -3.447   0.354  1.00  0.00           O  
HETATM   32  P   UNL     1      -4.031  -3.441   0.097  1.00  0.00           P  
HETATM   33  O   UNL     1      -4.319  -3.435  -1.487  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.633  -4.649   0.704  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.678  -2.126   0.765  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.086  -1.884   0.800  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.356  -0.552   1.503  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.838   0.531   0.713  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.728   1.653   0.900  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.135   1.002   0.899  1.00  0.00           C  
HETATM   41  O   UNL     1      -9.071   1.810   1.614  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.875  -0.332   1.641  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.241  -0.217   3.018  1.00  0.00           O  
HETATM   44  N   UNL     1      -6.596   2.605  -0.205  1.00  0.00           N  
HETATM   45  C   UNL     1      -6.141   2.328  -1.459  1.00  0.00           C  
HETATM   46  N   UNL     1      -6.156   3.407  -2.187  1.00  0.00           N  
HETATM   47  C   UNL     1      -6.621   4.442  -1.448  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.852   5.806  -1.694  1.00  0.00           C  
HETATM   49  N   UNL     1      -6.588   6.357  -2.935  1.00  0.00           N  
HETATM   50  N   UNL     1      -7.331   6.556  -0.706  1.00  0.00           N  
HETATM   51  C   UNL     1      -7.587   6.039   0.482  1.00  0.00           C  
HETATM   52  N   UNL     1      -7.386   4.767   0.758  1.00  0.00           N  
HETATM   53  C   UNL     1      -6.915   3.940  -0.169  1.00  0.00           C  
HETATM   54  H   UNL     1       6.228   4.712   1.475  1.00  0.00           H  
HETATM   55  H   UNL     1       8.962   1.118   3.053  1.00  0.00           H  
HETATM   56  H   UNL     1       8.032   5.254   4.694  1.00  0.00           H  
HETATM   57  H   UNL     1       7.766   6.165   3.188  1.00  0.00           H  
HETATM   58  H   UNL     1       6.379   5.497   4.081  1.00  0.00           H  
HETATM   59  H   UNL     1       7.503   3.448  -1.690  1.00  0.00           H  
HETATM   60  H   UNL     1       8.097   1.887  -1.034  1.00  0.00           H  
HETATM   61  H   UNL     1       6.258  -0.882  -1.336  1.00  0.00           H  
HETATM   62  H   UNL     1       5.256  -0.720  -2.799  1.00  0.00           H  
HETATM   63  H   UNL     1       4.288   1.400  -1.827  1.00  0.00           H  
HETATM   64  H   UNL     1       5.550   3.427  -0.280  1.00  0.00           H  
HETATM   65  H   UNL     1       6.975   0.956  -2.875  1.00  0.00           H  
HETATM   66  H   UNL     1       5.284  -3.164   0.633  1.00  0.00           H  
HETATM   67  H   UNL     1       2.312  -5.017   1.731  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.304  -5.167   2.339  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.952  -2.670  -1.950  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.473  -1.843  -0.218  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.580  -2.689   1.344  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.888  -0.551   2.487  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.533   2.143   1.854  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.478   0.819  -0.119  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.966   1.444   1.642  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.424  -1.146   1.167  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.176  -0.020   3.162  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.815   1.356  -1.799  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.239   5.800  -3.649  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.751   7.300  -3.093  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.975   6.683   1.257  1.00  0.00           H  
CONECT    1   20   15                                                 
CONECT    2    3    3   19                                            
CONECT    3    2    2    4    4                                       
CONECT    4    3    3                                                 
CONECT    5   18    6    7                                            
CONECT    6    5   54   12   12                                       
CONECT    7    5    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   55   10                                            
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10    6    6   13                                       
CONECT   13   12   56   57   58                                       
CONECT   14   19   59   60   18                                       
CONECT   15    1   61   62   16                                       
CONECT   16   15   19   63   17                                       
CONECT   17   16   18                                                 
CONECT   18    5   14   17   64                                       
CONECT   19   14   16    2   65                                       
CONECT   20    1   21   23   22                                       
CONECT   20   22                                                      
CONECT   21   20   66                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   27   26                                       
CONECT   24   26                                                      
CONECT   25   24   67                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   30   29   29                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   68                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   34   34                                       
CONECT   32   35                                                      
CONECT   33   32   69                                                 
CONECT   34   32   32                                                 
CONECT   35   32   36                                                 
CONECT   36   35   70   71   37                                       
CONECT   37   36   38   72   42                                       
CONECT   38   37   39                                                 
CONECT   39   38   73   40   44                                       
CONECT   40   39   42   74   41                                       
CONECT   41   40   75                                                 
CONECT   42   40   37   76   43                                       
CONECT   43   42   77                                                 
CONECT   44   39   45   53                                            
CONECT   45   44   78   46   46                                       
CONECT   46   45   45   47                                            
CONECT   47   46   48   48   53                                       
CONECT   48   47   47   49   50                                       
CONECT   49   48   79   80                                            
CONECT   50   48   51   51                                            
CONECT   51   50   50   52   81                                       
CONECT   52   51   53   53                                            
CONECT   53   52   52   44   47                                       
CONECT   54    6                                                      
CONECT   55    9                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   25                                                      
CONECT   68   30                                                      
CONECT   69   33                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   45                                                      
CONECT   79   49                                                      
CONECT   80   49                                                      
CONECT   81   51                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
