COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.526  -4.531  -3.540  1.00  0.00           O  
HETATM    2  C   UNL     1       8.430  -4.333  -2.339  1.00  0.00           C  
HETATM    3  N   UNL     1       8.907  -5.225  -1.457  1.00  0.00           N  
HETATM    4  C   UNL     1       8.811  -5.024  -0.160  1.00  0.00           C  
HETATM    5  N   UNL     1       9.316  -5.970   0.692  1.00  0.00           N  
HETATM    6  N   UNL     1       8.231  -3.914   0.366  1.00  0.00           N  
HETATM    7  C   UNL     1       7.713  -2.944  -0.452  1.00  0.00           C  
HETATM    8  C   UNL     1       7.798  -3.112  -1.829  1.00  0.00           C  
HETATM    9  N   UNL     1       7.229  -2.028  -2.405  1.00  0.00           N  
HETATM   10  C   UNL     1       6.814  -1.218  -1.474  1.00  0.00           C  
HETATM   11  N   UNL     1       7.087  -1.753  -0.249  1.00  0.00           N  
HETATM   12  C   UNL     1       6.777  -1.148   1.049  1.00  0.00           C  
HETATM   13  O   UNL     1       5.748  -0.145   0.910  1.00  0.00           O  
HETATM   14  C   UNL     1       7.993  -0.348   1.582  1.00  0.00           C  
HETATM   15  O   UNL     1       8.887  -1.198   2.303  1.00  0.00           O  
HETATM   16  C   UNL     1       7.318   0.674   2.529  1.00  0.00           C  
HETATM   17  O   UNL     1       7.383   0.221   3.883  1.00  0.00           O  
HETATM   18  C   UNL     1       5.855   0.727   2.048  1.00  0.00           C  
HETATM   19  C   UNL     1       5.492   2.157   1.644  1.00  0.00           C  
HETATM   20  O   UNL     1       4.107   2.216   1.294  1.00  0.00           O  
HETATM   21  P   UNL     1       3.380   3.571   0.818  1.00  0.00           P  
HETATM   22  O   UNL     1       4.111   4.145  -0.334  1.00  0.00           O  
HETATM   23  O   UNL     1       3.372   4.630   2.030  1.00  0.00           O  
HETATM   24  O   UNL     1       1.865   3.243   0.383  1.00  0.00           O  
HETATM   25  P   UNL     1       0.774   3.999  -0.528  1.00  0.00           P  
HETATM   26  O   UNL     1       1.303   4.159  -1.901  1.00  0.00           O  
HETATM   27  S   UNL     1       0.365   5.909   0.298  1.00  0.00           S  
HETATM   28  O   UNL     1      -0.582   3.132  -0.573  1.00  0.00           O  
HETATM   29  P   UNL     1      -2.011   3.328  -1.288  1.00  0.00           P  
HETATM   30  O   UNL     1      -1.807   3.763  -2.688  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.859   4.445  -0.496  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.815   1.933  -1.271  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.074   1.752  -1.921  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.557   0.316  -1.709  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.923   0.108  -0.328  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.854   0.062  -2.507  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.538  -0.746  -3.658  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.561  -1.764  -3.686  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.087  -2.975  -4.491  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.856  -1.202  -4.277  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.755  -2.123  -2.302  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.689  -0.861  -1.576  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.790  -1.046  -0.335  1.00  0.00           C  
HETATM   44  N   UNL     1      -6.604  -1.079   0.883  1.00  0.00           N  
HETATM   45  C   UNL     1      -6.930  -0.009   1.665  1.00  0.00           C  
HETATM   46  N   UNL     1      -7.664  -0.401   2.665  1.00  0.00           N1+
HETATM   47  C   UNL     1      -8.203   0.469   3.713  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.852  -1.741   2.586  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.181  -2.188   1.442  1.00  0.00           C  
HETATM   50  N   UNL     1      -7.209  -3.486   1.120  1.00  0.00           N  
HETATM   51  C   UNL     1      -7.862  -4.355   1.860  1.00  0.00           C  
HETATM   52  N   UNL     1      -7.863  -5.676   1.492  1.00  0.00           N  
HETATM   53  N   UNL     1      -8.537  -3.981   2.984  1.00  0.00           N  
HETATM   54  C   UNL     1      -8.545  -2.687   3.376  1.00  0.00           C  
HETATM   55  O   UNL     1      -9.148  -2.342   4.378  1.00  0.00           O  
HETATM   56  H   UNL     1       9.735  -6.769   0.336  1.00  0.00           H  
HETATM   57  H   UNL     1       9.256  -5.840   1.651  1.00  0.00           H  
HETATM   58  H   UNL     1       8.182  -3.807   1.329  1.00  0.00           H  
HETATM   59  H   UNL     1       6.320  -0.273  -1.645  1.00  0.00           H  
HETATM   60  H   UNL     1       6.477  -1.912   1.765  1.00  0.00           H  
HETATM   61  H   UNL     1       8.512   0.159   0.768  1.00  0.00           H  
HETATM   62  H   UNL     1       9.663  -0.743   2.656  1.00  0.00           H  
HETATM   63  H   UNL     1       7.789   1.653   2.433  1.00  0.00           H  
HETATM   64  H   UNL     1       8.284   0.113   4.219  1.00  0.00           H  
HETATM   65  H   UNL     1       5.191   0.384   2.841  1.00  0.00           H  
HETATM   66  H   UNL     1       5.684   2.831   2.479  1.00  0.00           H  
HETATM   67  H   UNL     1       6.096   2.457   0.788  1.00  0.00           H  
HETATM   68  H   UNL     1       2.909   4.320   2.821  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.101   5.614   1.525  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.030   4.226   0.430  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.803   2.446  -1.501  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.963   1.944  -2.989  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.783  -0.391  -2.008  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.374   0.983  -2.769  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.189  -3.388  -4.031  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.871  -3.733  -4.502  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.865  -2.668  -5.513  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.671  -0.857  -5.294  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.617  -1.982  -4.291  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.202  -0.368  -3.668  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.675  -0.462  -1.335  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.204  -1.961  -0.423  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.625   1.010   1.481  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.184   0.837   3.411  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.297  -0.095   4.641  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.530   1.312   3.867  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.386  -5.958   0.695  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.340  -6.329   2.027  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.009  -4.647   3.508  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    6                                       
CONECT    5    4   56   57                                            
CONECT    6    4    7   58                                            
CONECT    7    8    8    6   11                                       
CONECT    8    2    9    7    7                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   59                                       
CONECT   11    7   10   12                                            
CONECT   12   11   13   14   60                                       
CONECT   13   12   18                                                 
CONECT   14   12   15   16   61                                       
CONECT   15   14   62                                                 
CONECT   16   18   14   17   63                                       
CONECT   17   16   64                                                 
CONECT   18   13   19   16   65                                       
CONECT   19   20   18   66   67                                       
CONECT   20   21   19                                                 
CONECT   21   22   22   23   20                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   68                                                 
CONECT   24   21   25                                                 
CONECT   25   27   24   28   26                                       
CONECT   25   26                                                      
CONECT   26   25   25                                                 
CONECT   27   25   69                                                 
CONECT   28   25   29                                                 
CONECT   29   28   32   30   30                                       
CONECT   29   31                                                      
CONECT   30   29   29                                                 
CONECT   31   29   70                                                 
CONECT   32   33   29                                                 
CONECT   33   34   32   71   72                                       
CONECT   34   35   36   33   73                                       
CONECT   35   43   34                                                 
CONECT   36   34   37   42   74                                       
CONECT   37   38   36                                                 
CONECT   38   39   37   41   40                                       
CONECT   39   38   75   76   77                                       
CONECT   40   38   78   79   80                                       
CONECT   41   38   42                                                 
CONECT   42   43   41   36   81                                       
CONECT   43   35   44   42   82                                       
CONECT   44   43   45   49                                            
CONECT   45   44   46   46   83                                       
CONECT   46   45   45   47   48                                       
CONECT   47   46   84   85   86                                       
CONECT   48   46   49   49   54                                       
CONECT   49   44   48   48   50                                       
CONECT   50   49   51   51                                            
CONECT   51   50   50   53   52                                       
CONECT   52   51   87   88                                            
CONECT   53   54   51   89                                            
CONECT   54   48   55   55   53                                       
CONECT   55   54   54                                                 
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   23                                                      
CONECT   69   27                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   45                                                      
CONECT   84   47                                                      
CONECT   85   47                                                      
CONECT   86   47                                                      
CONECT   87   52                                                      
CONECT   88   52                                                      
CONECT   89   53                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
