COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.265   5.981   2.184  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.858   4.808   2.318  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.335   3.695   1.849  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.169   3.710   1.211  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.499   4.933   1.042  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.096   6.094   1.561  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.483   7.327   1.426  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.352   4.670   0.370  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.279   3.395   0.121  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.377   2.759   0.619  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.658   1.324   0.539  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.514   1.004  -0.714  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.906   1.161  -0.434  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.166  -0.482  -0.973  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.170  -1.335  -0.419  1.00  0.00           O  
HETATM   16  P   UNL     1      -8.013  -2.385  -1.301  1.00  0.00           P  
HETATM   17  O   UNL     1      -8.955  -3.263  -0.335  1.00  0.00           O  
HETATM   18  O   UNL     1      -8.926  -1.586  -2.360  1.00  0.00           O  
HETATM   19  O   UNL     1      -7.082  -3.278  -2.027  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.823  -0.688  -0.247  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.441   0.578   0.319  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.759  -1.157  -1.242  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.550  -1.457  -0.542  1.00  0.00           O  
HETATM   24  P   UNL     1      -1.217  -1.979  -1.278  1.00  0.00           P  
HETATM   25  O   UNL     1      -0.657  -0.828  -2.254  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.533  -3.188  -2.071  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.101  -2.338  -0.175  1.00  0.00           O  
HETATM   28  P   UNL     1       1.280  -3.166  -0.209  1.00  0.00           P  
HETATM   29  O   UNL     1       2.058  -2.777  -1.406  1.00  0.00           O  
HETATM   30  O   UNL     1       0.960  -4.742  -0.266  1.00  0.00           O  
HETATM   31  O   UNL     1       2.134  -2.839   1.116  1.00  0.00           O  
HETATM   32  C   UNL     1       3.974  -2.840   2.683  1.00  0.00           C  
HETATM   33  C   UNL     1       3.456  -3.338   1.332  1.00  0.00           C  
HETATM   34  C   UNL     1       3.999  -1.310   2.687  1.00  0.00           C  
HETATM   35  C   UNL     1       3.052  -3.338   3.798  1.00  0.00           C  
HETATM   36  C   UNL     1       5.389  -3.375   2.915  1.00  0.00           C  
HETATM   37  O   UNL     1       5.345  -4.797   3.045  1.00  0.00           O  
HETATM   38  C   UNL     1       6.264  -3.003   1.746  1.00  0.00           C  
HETATM   39  O   UNL     1       6.678  -3.865   1.000  1.00  0.00           O  
HETATM   40  N   UNL     1       6.587  -1.713   1.529  1.00  0.00           N  
HETATM   41  C   UNL     1       7.356  -1.340   0.340  1.00  0.00           C  
HETATM   42  C   UNL     1       7.586   0.173   0.334  1.00  0.00           C  
HETATM   43  C   UNL     1       8.377   0.556  -0.890  1.00  0.00           C  
HETATM   44  O   UNL     1       8.724  -0.297  -1.680  1.00  0.00           O  
HETATM   45  N   UNL     1       8.700   1.846  -1.107  1.00  0.00           N  
HETATM   46  C   UNL     1       9.470   2.219  -2.296  1.00  0.00           C  
HETATM   47  C   UNL     1       9.699   3.732  -2.302  1.00  0.00           C  
HETATM   48  C   UNL     1      10.833   5.400  -1.033  1.00  0.00           C  
HETATM   49  O   UNL     1      10.409   6.206  -1.827  1.00  0.00           O  
HETATM   50  C   UNL     1      11.696   5.856   0.115  1.00  0.00           C  
HETATM   51  O   UNL     1      10.536   4.099  -1.173  1.00  0.00           O  
HETATM   52  H   UNL     1      -8.806   4.761   2.832  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.630   7.397   0.969  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.905   8.121   1.788  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.468   2.912  -0.403  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.160   0.981   1.444  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.216   1.627  -1.557  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.157   2.058  -0.177  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.054  -0.667  -2.041  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.493  -3.919  -0.800  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.561  -0.981  -1.953  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.940  -1.426   0.548  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.112  -2.051  -1.757  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.571  -0.369  -1.971  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.428  -0.005  -1.801  1.00  0.00           H  
HETATM   66  H   UNL     1       0.451  -5.068   0.489  1.00  0.00           H  
HETATM   67  H   UNL     1       3.438  -4.428   1.330  1.00  0.00           H  
HETATM   68  H   UNL     1       4.113  -2.984   0.538  1.00  0.00           H  
HETATM   69  H   UNL     1       4.474  -0.957   3.603  1.00  0.00           H  
HETATM   70  H   UNL     1       4.563  -0.954   1.825  1.00  0.00           H  
HETATM   71  H   UNL     1       2.979  -0.930   2.636  1.00  0.00           H  
HETATM   72  H   UNL     1       2.032  -3.008   3.600  1.00  0.00           H  
HETATM   73  H   UNL     1       3.080  -4.427   3.835  1.00  0.00           H  
HETATM   74  H   UNL     1       3.386  -2.933   4.754  1.00  0.00           H  
HETATM   75  H   UNL     1       5.797  -2.939   3.827  1.00  0.00           H  
HETATM   76  H   UNL     1       4.992  -5.252   2.268  1.00  0.00           H  
HETATM   77  H   UNL     1       6.310  -1.031   2.161  1.00  0.00           H  
HETATM   78  H   UNL     1       8.318  -1.853   0.353  1.00  0.00           H  
HETATM   79  H   UNL     1       6.804  -1.627  -0.555  1.00  0.00           H  
HETATM   80  H   UNL     1       6.624   0.686   0.320  1.00  0.00           H  
HETATM   81  H   UNL     1       8.138   0.460   1.229  1.00  0.00           H  
HETATM   82  H   UNL     1       8.423   2.528  -0.475  1.00  0.00           H  
HETATM   83  H   UNL     1      10.431   1.706  -2.283  1.00  0.00           H  
HETATM   84  H   UNL     1       8.917   1.932  -3.191  1.00  0.00           H  
HETATM   85  H   UNL     1      10.194   4.021  -3.230  1.00  0.00           H  
HETATM   86  H   UNL     1       8.741   4.245  -2.226  1.00  0.00           H  
HETATM   87  H   UNL     1      11.828   6.937   0.064  1.00  0.00           H  
HETATM   88  H   UNL     1      11.216   5.593   1.058  1.00  0.00           H  
HETATM   89  H   UNL     1      12.669   5.368   0.054  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    3    3    1   52                                       
CONECT    3    4    2    2                                            
CONECT    4   10    5    5    3                                       
CONECT    5    8    4    4    6                                       
CONECT    6    5    7    1    1                                       
CONECT    7    6   53   54                                            
CONECT    8    9    9    5                                            
CONECT    9   10    8    8   55                                       
CONECT   10   11    9    4                                            
CONECT   11   12   21   10   56                                       
CONECT   12   14   13   11   57                                       
CONECT   13   12   58                                                 
CONECT   14   12   20   15   59                                       
CONECT   15   16   14                                                 
CONECT   16   19   19   18   15                                       
CONECT   16   17                                                      
CONECT   17   16   60                                                 
CONECT   18   16   61                                                 
CONECT   19   16   16                                                 
CONECT   20   22   14   21   62                                       
CONECT   21   20   11                                                 
CONECT   22   23   20   63   64                                       
CONECT   23   24   22                                                 
CONECT   24   26   26   27   25                                       
CONECT   24   23                                                      
CONECT   25   24   65                                                 
CONECT   26   24   24                                                 
CONECT   27   28   24                                                 
CONECT   28   29   29   27   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   66                                                 
CONECT   31   28   33                                                 
CONECT   32   33   36   34   35                                       
CONECT   33   31   32   67   68                                       
CONECT   34   32   69   70   71                                       
CONECT   35   32   72   73   74                                       
CONECT   36   37   32   38   75                                       
CONECT   37   36   76                                                 
CONECT   38   36   40   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   77                                            
CONECT   41   40   42   78   79                                       
CONECT   42   41   43   80   81                                       
CONECT   43   42   45   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   82                                            
CONECT   46   45   47   83   84                                       
CONECT   47   46   51   85   86                                       
CONECT   48   49   49   51   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   87   88   89                                       
CONECT   51   47   48                                                 
CONECT   52    2                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   25                                                      
CONECT   66   30                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   45                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   47                                                      
CONECT   86   47                                                      
CONECT   87   50                                                      
CONECT   88   50                                                      
CONECT   89   50                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
