COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       2.701   3.599  -0.192  1.00  0.00           P  
HETATM    2  P   UNL     1      -2.556   3.522   0.207  1.00  0.00           P  
HETATM    3  C   UNL     1       0.068   3.817   0.005  1.00  0.00           C  
HETATM    4  C   UNL     1       6.683  -0.567   0.657  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.626  -0.546  -0.703  1.00  0.00           C  
HETATM    6  N   UNL     1       8.641  -5.165  -0.826  1.00  0.00           N  
HETATM    7  N   UNL     1      -8.967  -4.887   0.981  1.00  0.00           N  
HETATM    8  N   UNL     1       1.157   3.057  -0.079  1.00  0.00           N  
HETATM    9  O   UNL     1       2.830   5.013   0.567  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.949   3.681   1.760  1.00  0.00           O  
HETATM   11  C   UNL     1       8.790  -4.508   0.359  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.951  -4.348  -0.271  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.571   1.734   0.051  1.00  0.00           C  
HETATM   14  C   UNL     1       7.864   0.433   0.577  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.756   0.504  -0.855  1.00  0.00           C  
HETATM   16  N   UNL     1       9.551  -5.080   1.347  1.00  0.00           N  
HETATM   17  N   UNL     1      -9.628  -4.987  -1.280  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.998   3.026   0.086  1.00  0.00           N1+
HETATM   19  O   UNL     1       3.062   3.769  -1.617  1.00  0.00           O  
HETATM   20  O   UNL     1       9.003  -0.066   1.282  1.00  0.00           O  
HETATM   21  O   UNL     1      -8.833  -0.016  -1.637  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.714   4.824  -0.478  1.00  0.00           O  
HETATM   23  C   UNL     1       0.768   1.754  -0.058  1.00  0.00           C  
HETATM   24  C   UNL     1       7.280   1.681   1.284  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.034   1.651  -1.603  1.00  0.00           C  
HETATM   26  N   UNL     1       8.226  -3.342   0.583  1.00  0.00           N  
HETATM   27  N   UNL     1      -8.308  -3.234  -0.540  1.00  0.00           N  
HETATM   28  N   UNL     1       0.049   5.199   0.014  1.00  0.00           N  
HETATM   29  O   UNL     1       7.703   1.727   2.648  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.299   1.582  -3.006  1.00  0.00           O  
HETATM   31  C   UNL     1       7.476  -2.746  -0.351  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.635  -2.577   0.412  1.00  0.00           C  
HETATM   33  C   UNL     1       5.754   1.484   1.199  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.539   1.403  -1.323  1.00  0.00           C  
HETATM   35  O   UNL     1       5.520   0.268   0.468  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.448   0.254  -0.461  1.00  0.00           O  
HETATM   37  C   UNL     1       7.285  -3.370  -1.589  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.613  -3.080   1.718  1.00  0.00           C  
HETATM   39  C   UNL     1       5.117   2.664   0.462  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.929   2.624  -0.632  1.00  0.00           C  
HETATM   41  O   UNL     1       3.695   2.531   0.490  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.521   2.432  -0.482  1.00  0.00           O  
HETATM   43  C   UNL     1       7.902  -4.622  -1.819  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.314  -4.277   1.995  1.00  0.00           C  
HETATM   45  O   UNL     1       7.763  -5.201  -2.882  1.00  0.00           O  
HETATM   46  O   UNL     1      -8.323  -4.752   3.118  1.00  0.00           O  
HETATM   47  N   UNL     1       6.496  -2.556  -2.332  1.00  0.00           N  
HETATM   48  N   UNL     1      -6.869  -2.228   2.465  1.00  0.00           N  
HETATM   49  C   UNL     1       6.198  -1.496  -1.640  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.444  -1.256   1.713  1.00  0.00           C  
HETATM   51  N   UNL     1       6.782  -1.568  -0.409  1.00  0.00           N  
HETATM   52  N   UNL     1      -6.892  -1.429   0.436  1.00  0.00           N  
HETATM   53  H   UNL     1       6.654  -1.050   1.634  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.514  -1.126  -1.619  1.00  0.00           H  
HETATM   55  H   UNL     1       9.071  -6.024  -0.959  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.452  -5.711   1.145  1.00  0.00           H  
HETATM   57  H   UNL     1       2.608   4.976   1.508  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.869   2.864   2.272  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.196   0.854   0.098  1.00  0.00           H  
HETATM   60  H   UNL     1       8.117   0.655  -0.459  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.111   0.838   0.120  1.00  0.00           H  
HETATM   62  H   UNL     1       9.974  -5.940   1.197  1.00  0.00           H  
HETATM   63  H   UNL     1       9.667  -4.625   2.196  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.108  -5.810  -1.097  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.626  -4.615  -2.176  1.00  0.00           H  
HETATM   66  H   UNL     1       9.768   0.525   1.261  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.564   0.604  -1.760  1.00  0.00           H  
HETATM   68  H   UNL     1       1.417   0.892  -0.111  1.00  0.00           H  
HETATM   69  H   UNL     1       7.577   2.589   0.760  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.341   2.618  -1.203  1.00  0.00           H  
HETATM   71  H   UNL     1       0.880   5.696  -0.045  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.796   5.671   0.080  1.00  0.00           H  
HETATM   73  H   UNL     1       8.656   1.850   2.760  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.225   1.731  -3.239  1.00  0.00           H  
HETATM   75  H   UNL     1       5.335   1.400   2.201  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.015   1.203  -2.258  1.00  0.00           H  
HETATM   77  H   UNL     1       5.405   3.595   0.951  1.00  0.00           H  
HETATM   78  H   UNL     1       5.461   2.675  -0.572  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.112   3.513  -1.236  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.385   2.751   0.350  1.00  0.00           H  
HETATM   81  H   UNL     1       5.581  -0.680  -1.988  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.828  -0.435   2.049  1.00  0.00           H  
CONECT    1    8   19   19    9                                       
CONECT    1   41                                                      
CONECT    2   22   22   10   42                                       
CONECT    2   18                                                      
CONECT    3   18   18    8   28                                       
CONECT    4   14   35   51   53                                       
CONECT    5   15   36   52   54                                       
CONECT    6   43   11   55                                            
CONECT    7   44   12   56                                            
CONECT    8   23    3    1                                            
CONECT    9    1   57                                                 
CONECT   10    2   58                                                 
CONECT   11   26   26    6   16                                       
CONECT   12   27   27    7   17                                       
CONECT   13   18   23   23   59                                       
CONECT   14   24   20    4   60                                       
CONECT   15   25   21    5   61                                       
CONECT   16   11   62   63                                            
CONECT   17   12   64   65                                            
CONECT   18    2   13    3    3                                       
CONECT   19    1    1                                                 
CONECT   20   14   66                                                 
CONECT   21   15   67                                                 
CONECT   22    2    2                                                 
CONECT   23   13   13    8   68                                       
CONECT   24   29   33   14   69                                       
CONECT   25   30   34   15   70                                       
CONECT   26   31   11   11                                            
CONECT   27   32   12   12                                            
CONECT   28    3   71   72                                            
CONECT   29   24   73                                                 
CONECT   30   25   74                                                 
CONECT   31   51   37   37   26                                       
CONECT   32   52   38   38   27                                       
CONECT   33   24   39   35   75                                       
CONECT   34   40   25   36   76                                       
CONECT   35   33    4                                                 
CONECT   36   34    5                                                 
CONECT   37   47   31   31   43                                       
CONECT   38   48   32   32   44                                       
CONECT   39   41   33   77   78                                       
CONECT   40   42   34   79   80                                       
CONECT   41    1   39                                                 
CONECT   42    2   40                                                 
CONECT   43   37   45   45    6                                       
CONECT   44   38   46   46    7                                       
CONECT   45   43   43                                                 
CONECT   46   44   44                                                 
CONECT   47   49   49   37                                            
CONECT   48   50   50   38                                            
CONECT   49   47   47   51   81                                       
CONECT   50   48   48   52   82                                       
CONECT   51   49    4   31                                            
CONECT   52   50    5   32                                            
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   49                                                      
CONECT   82   50                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
