COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.632   4.022  -0.990  1.00  0.00           O  
HETATM    2  P   UNL     1      -5.315   5.479  -0.816  1.00  0.00           P  
HETATM    3  O   UNL     1      -4.467   6.151  -2.018  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.603   6.447  -0.684  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.451   5.836   0.509  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.173   5.254   0.661  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.210   3.739   0.693  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.311   3.306   1.492  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.563   5.570   2.018  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.880   6.860   2.078  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.577   7.101   1.727  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.243   8.365   1.890  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.379   8.969   2.368  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.409   8.051   2.492  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.657   8.284   2.925  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.809   9.587   3.246  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.902  10.591   3.178  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.661  10.283   2.731  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.675  11.280   2.638  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.626   4.511   2.293  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.912   3.396   1.416  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.734   3.217   0.469  1.00  0.00           C  
HETATM   23  O   UNL     1       0.425   2.914   1.226  1.00  0.00           O  
HETATM   24  P   UNL     1       1.820   2.676   0.441  1.00  0.00           P  
HETATM   25  O   UNL     1       2.311   3.834  -0.378  1.00  0.00           O  
HETATM   26  O   UNL     1       2.836   2.177   1.596  1.00  0.00           O  
HETATM   27  O   UNL     1       1.537   1.327  -0.403  1.00  0.00           O  
HETATM   28  P   UNL     1       2.519   0.416  -1.307  1.00  0.00           P  
HETATM   29  O   UNL     1       3.689  -0.167  -0.569  1.00  0.00           O  
HETATM   30  O   UNL     1       2.922   1.391  -2.534  1.00  0.00           O  
HETATM   31  O   UNL     1       1.509  -0.668  -1.959  1.00  0.00           O  
HETATM   32  C   UNL     1       0.370  -0.232  -2.679  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.392  -1.455  -3.173  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.840  -2.204  -2.023  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.264  -2.051  -1.879  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.679  -0.956  -2.854  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.998  -1.119  -3.340  1.00  0.00           O  
HETATM   38  C   UNL     1      -1.650  -1.105  -3.956  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.996  -2.213  -4.787  1.00  0.00           O  
HETATM   40  N   UNL     1      -2.751  -1.701  -0.537  1.00  0.00           N1+
HETATM   41  C   UNL     1      -2.076  -1.016   0.326  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.614  -0.693   1.692  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.636  -1.093   2.760  1.00  0.00           C  
HETATM   44  N   UNL     1      -0.669  -0.147   3.008  1.00  0.00           N  
HETATM   45  O   UNL     1      -1.721  -2.164   3.356  1.00  0.00           O  
HETATM   46  C   UNL     1      -4.008  -1.188   1.994  1.00  0.00           C  
HETATM   47  O   UNL     1      -4.577  -0.963   3.060  1.00  0.00           O  
HETATM   48  C   UNL     1      -4.687  -1.978   0.953  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.045  -2.173  -0.201  1.00  0.00           C  
HETATM   50  H   UNL     1      -4.760   6.007  -2.943  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.335   6.354  -1.330  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.525   5.602  -0.153  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.314   3.278  -0.293  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.783   4.108   1.765  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.311   5.601   2.819  1.00  0.00           H  
HETATM   56  H   UNL     1       0.076   6.320   1.362  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.792   9.869   3.609  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.628  11.851   1.815  1.00  0.00           H  
HETATM   59  H   UNL     1       0.027  11.347   3.350  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.014   2.503   2.040  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.554   4.135  -0.098  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.924   2.396  -0.229  1.00  0.00           H  
HETATM   63  H   UNL     1       3.235   2.840   2.198  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.264   0.363  -2.020  1.00  0.00           H  
HETATM   65  H   UNL     1       0.692   0.377  -3.525  1.00  0.00           H  
HETATM   66  H   UNL     1       0.284  -2.098  -3.746  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.734  -3.009  -2.125  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.594   0.041  -2.402  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.928  -1.393  -4.271  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.555  -0.224  -4.596  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.181  -2.483  -5.237  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.061  -0.683   0.055  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.662   0.404   1.733  1.00  0.00           H  
HETATM   74  H   UNL     1       0.030  -0.340   3.719  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.625   0.735   2.510  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.679  -2.369   1.141  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.551  -2.750  -0.971  1.00  0.00           H  
HETATM   78  H   UNL     1       3.615   2.071  -2.391  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    2    5                                                      
CONECT    3    2   50                                                 
CONECT    4    2   51                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7    9   52                                       
CONECT    7    6    8   21   53                                       
CONECT    8    7   54                                                 
CONECT    9    6   10   20   55                                       
CONECT   10    9   11   14                                            
CONECT   11   10   12   12   56                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   14   18                                       
CONECT   14   10   13   13   15                                       
CONECT   15   14   16   16                                            
CONECT   16   15   15   17   57                                       
CONECT   17   16   18   18                                            
CONECT   18   13   17   17   19                                       
CONECT   19   18   58   59                                            
CONECT   20    9   21                                                 
CONECT   21    7   20   22   60                                       
CONECT   22   21   23   61   62                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   63                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   78                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   64   65                                       
CONECT   33   32   34   38   66                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   40   67                                       
CONECT   36   35   37   38   68                                       
CONECT   37   36   69                                                 
CONECT   38   33   36   39   70                                       
CONECT   39   38   71                                                 
CONECT   40   35   41   41   49                                       
CONECT   41   40   40   42   72                                       
CONECT   42   41   43   46   73                                       
CONECT   43   42   44   45   45                                       
CONECT   44   43   74   75                                            
CONECT   45   43   43                                                 
CONECT   46   42   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   46   49   49   76                                       
CONECT   49   40   48   48   77                                       
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   26                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   44                                                      
CONECT   75   44                                                      
CONECT   76   48                                                      
CONECT   77   49                                                      
CONECT   78   30                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
