COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.424   1.953  -7.956  1.00  0.00           O  
HETATM    2  P   UNL     1       1.818   0.708  -8.476  1.00  0.00           P  
HETATM    3  O   UNL     1       2.509   0.319  -9.877  1.00  0.00           O  
HETATM    4  O   UNL     1       0.239   0.933  -8.701  1.00  0.00           O  
HETATM    5  O   UNL     1       2.044  -0.483  -7.417  1.00  0.00           O  
HETATM    6  C   UNL     1       1.411  -0.080  -6.201  1.00  0.00           C  
HETATM    7  C   UNL     1       2.395  -0.183  -5.006  1.00  0.00           C  
HETATM    8  O   UNL     1       3.475  -1.063  -5.321  1.00  0.00           O  
HETATM    9  C   UNL     1       0.302  -1.084  -5.796  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.965  -0.749  -6.450  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.894   0.140  -5.999  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.898   0.192  -6.826  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.677  -0.658  -7.857  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.431  -1.268  -7.631  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.981  -2.161  -8.506  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.684  -2.464  -9.577  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.857  -1.914  -9.834  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.390  -1.014  -9.014  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.619  -0.443  -9.292  1.00  0.00           N  
HETATM   20  O   UNL     1       0.198  -0.912  -4.366  1.00  0.00           O  
HETATM   21  C   UNL     1       1.536  -0.759  -3.863  1.00  0.00           C  
HETATM   22  C   UNL     1       1.538   0.203  -2.674  1.00  0.00           C  
HETATM   23  O   UNL     1       0.733  -0.336  -1.623  1.00  0.00           O  
HETATM   24  P   UNL     1       0.780   0.722  -0.411  1.00  0.00           P  
HETATM   25  O   UNL     1       0.241   2.022  -0.871  1.00  0.00           O  
HETATM   26  O   UNL     1       2.302   0.914   0.074  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.109   0.175   0.813  1.00  0.00           O  
HETATM   28  P   UNL     1      -0.018   1.277   1.983  1.00  0.00           P  
HETATM   29  O   UNL     1       1.393   1.445   2.393  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.590   2.682   1.443  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.890   0.792   3.246  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.770   1.806   4.245  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.580   1.405   5.480  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.071   0.173   6.036  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.538   0.152   7.403  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.377   1.605   7.901  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.461   1.971   8.757  1.00  0.00           O  
HETATM   38  C   UNL     1      -1.403   2.449   6.604  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.504   3.359   6.620  1.00  0.00           O  
HETATM   40  N   UNL     1      -0.718  -0.756   8.208  1.00  0.00           N  
HETATM   41  C   UNL     1       0.633  -0.577   8.293  1.00  0.00           C  
HETATM   42  C   UNL     1       1.370  -1.204   9.222  1.00  0.00           C  
HETATM   43  C   UNL     1       2.763  -0.962   9.261  1.00  0.00           C  
HETATM   44  N   UNL     1       3.528  -1.578  10.184  1.00  0.00           N  
HETATM   45  O   UNL     1       3.272  -0.198   8.460  1.00  0.00           O  
HETATM   46  C   UNL     1       0.773  -2.157  10.219  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.733  -1.909  10.345  1.00  0.00           C  
HETATM   48  O   UNL     1      -1.333  -2.965  11.098  1.00  0.00           O  
HETATM   49  C   UNL     1      -1.339  -1.872   8.935  1.00  0.00           C  
HETATM   50  O   UNL     1      -1.067  -3.101   8.259  1.00  0.00           O  
HETATM   51  H   UNL     1       2.350   1.057 -10.482  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.115   0.100  -9.040  1.00  0.00           H  
HETATM   53  H   UNL     1       1.009   0.928  -6.290  1.00  0.00           H  
HETATM   54  H   UNL     1       2.773   0.803  -4.737  1.00  0.00           H  
HETATM   55  H   UNL     1       4.052  -1.087  -4.545  1.00  0.00           H  
HETATM   56  H   UNL     1       0.600  -2.104  -6.039  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.810   0.716  -5.089  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.288  -3.191 -10.270  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.102  -0.697 -10.094  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.998   0.212  -8.686  1.00  0.00           H  
HETATM   61  H   UNL     1       1.930  -1.728  -3.556  1.00  0.00           H  
HETATM   62  H   UNL     1       1.131   1.165  -2.985  1.00  0.00           H  
HETATM   63  H   UNL     1       2.559   0.338  -2.317  1.00  0.00           H  
HETATM   64  H   UNL     1       2.614   0.046   0.365  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.510   2.529   1.187  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.149   2.750   3.853  1.00  0.00           H  
HETATM   67  H   UNL     1       0.278   1.922   4.521  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.634   1.299   5.223  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.586  -0.148   7.441  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.425   1.727   8.417  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.336   2.902   8.984  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.464   2.989   6.480  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.340   3.985   7.339  1.00  0.00           H  
HETATM   74  H   UNL     1       1.120   0.085   7.594  1.00  0.00           H  
HETATM   75  H   UNL     1       4.484  -1.413  10.211  1.00  0.00           H  
HETATM   76  H   UNL     1       3.123  -2.184  10.824  1.00  0.00           H  
HETATM   77  H   UNL     1       0.945  -3.183   9.895  1.00  0.00           H  
HETATM   78  H   UNL     1       1.247  -2.002  11.188  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.911  -0.957  10.845  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.924  -2.952  11.974  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.416  -1.717   9.000  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.492  -3.802   8.771  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    2    5                                                      
CONECT    3    2   51                                                 
CONECT    4    2   52                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7    9   53                                       
CONECT    7    6    8   21   54                                       
CONECT    8    7   55                                                 
CONECT    9    6   10   20   56                                       
CONECT   10    9   11   14                                            
CONECT   11   10   12   12   57                                       
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   58                                       
CONECT   17   16   18   18                                            
CONECT   18   13   17   17   19                                       
CONECT   19   18   59   60                                            
CONECT   20    9   21                                                 
CONECT   21    7   20   22   61                                       
CONECT   22   21   23   62   63                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   64                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   65                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   66   67                                       
CONECT   33   32   34   38   68                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   40   69                                       
CONECT   36   35   37   38   70                                       
CONECT   37   36   71                                                 
CONECT   38   33   36   39   72                                       
CONECT   39   38   73                                                 
CONECT   40   35   41   49                                            
CONECT   41   40   42   42   74                                       
CONECT   42   41   41   43   46                                       
CONECT   43   42   44   45   45                                       
CONECT   44   43   75   76                                            
CONECT   45   43   43                                                 
CONECT   46   42   47   77   78                                       
CONECT   47   46   48   49   79                                       
CONECT   48   47   80                                                 
CONECT   49   40   47   50   81                                       
CONECT   50   49   82                                                 
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   16                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   26                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   41                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
CONECT   77   46                                                      
CONECT   78   46                                                      
CONECT   79   47                                                      
CONECT   80   48                                                      
CONECT   81   49                                                      
CONECT   82   50                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
