COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O2* UNL     1      -6.922  -0.949   0.320  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.603  -0.809   0.082  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.402   0.006  -0.193  1.00  0.00           C  
HETATM    4  O   UNL     1       3.250  -0.700  -0.232  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.377   0.999  -0.528  1.00  0.00           C  
HETATM    6  N   UNL     1       0.552  -1.711  -0.476  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.362   2.658  -1.531  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.781   3.737  -2.332  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.260   1.877  -1.497  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.733   3.845  -1.105  1.00  0.00           C  
HETATM   11  O   UNL     1       6.399  -2.194  -0.861  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.219   2.222  -0.505  1.00  0.00           C  
HETATM   13  O   UNL     1       4.518  -3.896  -1.082  1.00  0.00           O  
HETATM   14  C1* UNL     1      -5.085   0.393   1.241  1.00  0.00           C  
HETATM   15  C4* UNL     1      -4.446  -1.056   2.931  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.981   4.212  -3.356  1.00  0.00           N  
HETATM   17  C5* UNL     1      -3.242  -1.936   3.271  1.00  0.00           C  
HETATM   18  C3* UNL     1      -5.443  -1.844   2.060  1.00  0.00           C  
HETATM   19  C2* UNL     1      -5.566  -1.002   0.767  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.962   4.291  -2.080  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.298  -5.185  -3.390  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.738  -3.828  -3.348  1.00  0.00           C  
HETATM   23  O4* UNL     1      -4.021   0.086   2.168  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.408  -3.457  -1.900  1.00  0.00           C  
HETATM   25  C   UNL     1       1.668  -2.549  -0.019  1.00  0.00           C  
HETATM   26  C   UNL     1       2.970  -2.053  -0.652  1.00  0.00           C  
HETATM   27  C   UNL     1       4.666  -0.519  -0.452  1.00  0.00           C  
HETATM   28  C   UNL     1       5.309  -1.850  -0.003  1.00  0.00           C  
HETATM   29  C   UNL     1       0.175  -2.043  -1.857  1.00  0.00           C  
HETATM   30  C   UNL     1       4.168  -2.882  -0.138  1.00  0.00           C  
HETATM   31  C   UNL     1       4.609   1.075   1.504  1.00  0.00           C  
HETATM   32  C   UNL     1       6.369   2.288   1.138  1.00  0.00           C  
HETATM   33  C   UNL     1       7.441   3.197   1.126  1.00  0.00           C  
HETATM   34  C   UNL     1       8.214   2.207  -0.811  1.00  0.00           C  
HETATM   35  C   UNL     1       6.292   1.339   0.104  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.601  -1.831   0.427  1.00  0.00           C  
HETATM   37  N   UNL     1       8.328   3.117   0.139  1.00  0.00           N  
HETATM   38  N   UNL     1       7.228   1.336  -0.840  1.00  0.00           N  
HETATM   39  N   UNL     1      -6.384   2.839  -0.331  1.00  0.00           N  
HETATM   40  N   UNL     1      -4.579   1.176   0.111  1.00  0.00           N  
HETATM   41  N   UNL     1       5.170   0.593   0.358  1.00  0.00           N  
HETATM   42  N   UNL     1       5.315   2.069   1.959  1.00  0.00           N  
HETATM   43  N   UNL     1       7.569   4.154   2.117  1.00  0.00           N  
HETATM   44  O5* UNL     1      -2.381  -1.238   4.173  1.00  0.00           O  
HETATM   45  O3* UNL     1      -6.709  -1.944   2.714  1.00  0.00           O  
HETATM   46  H2* UNL     1      -7.269  -1.798   0.013  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.686   4.324  -0.936  1.00  0.00           H  
HETATM   48  H   UNL     1       6.802  -3.050  -0.661  1.00  0.00           H  
HETATM   49  H   UNL     1       5.301  -4.407  -0.838  1.00  0.00           H  
HETATM   50  H1* UNL     1      -5.891   0.926   1.746  1.00  0.00           H  
HETATM   51  H4* UNL     1      -4.935  -0.727   3.848  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.280   4.956  -3.901  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.120   3.799  -3.530  1.00  0.00           H  
HETATM   54 H5*1 UNL     1      -3.587  -2.859   3.738  1.00  0.00           H  
HETATM   55 H5*2 UNL     1      -2.696  -2.174   2.358  1.00  0.00           H  
HETATM   56  H3* UNL     1      -5.051  -2.836   1.835  1.00  0.00           H  
HETATM   57  H2* UNL     1      -4.915  -1.392  -0.015  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.524  -5.454  -4.335  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.668  -5.850  -2.966  1.00  0.00           H  
HETATM   60  H   UNL     1       0.171  -3.791  -3.948  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.466  -3.122  -3.747  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.317  -3.493  -1.300  1.00  0.00           H  
HETATM   63  H   UNL     1       0.320  -4.162  -1.501  1.00  0.00           H  
HETATM   64  H   UNL     1       1.746  -2.490   1.066  1.00  0.00           H  
HETATM   65  H   UNL     1       1.491  -3.583  -0.315  1.00  0.00           H  
HETATM   66  H   UNL     1       2.908  -2.108  -1.739  1.00  0.00           H  
HETATM   67  H   UNL     1       4.865  -0.338  -1.508  1.00  0.00           H  
HETATM   68  H   UNL     1       5.645  -1.784   1.032  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.571  -1.331  -2.211  1.00  0.00           H  
HETATM   70  H   UNL     1       1.057  -1.994  -2.496  1.00  0.00           H  
HETATM   71  H   UNL     1       3.939  -3.327   0.831  1.00  0.00           H  
HETATM   72  H   UNL     1       3.710   0.691   1.963  1.00  0.00           H  
HETATM   73  H   UNL     1       8.958   2.177  -1.593  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.272  -1.685   1.456  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.042  -2.822   0.324  1.00  0.00           H  
HETATM   76  H   UNL     1       6.914   4.202   2.832  1.00  0.00           H  
HETATM   77  H   UNL     1       8.313   4.776   2.098  1.00  0.00           H  
HETATM   78  H5* UNL     1      -1.594  -1.738   4.432  1.00  0.00           H  
HETATM   79  H3* UNL     1      -6.680  -2.412   3.560  1.00  0.00           H  
CONECT    1   19   46                                                 
CONECT    2   36    3    3    3                                       
CONECT    3    2    2    2    5                                       
CONECT    4   27   26                                                 
CONECT    5    9    9    3   40                                       
CONECT    6   25   29   36                                            
CONECT    7    8    9   12   12                                       
CONECT    8   16   20   20    7                                       
CONECT    9    7    5    5                                            
CONECT   10   20   39   39   47                                       
CONECT   11   28   48                                                 
CONECT   12    7    7   39   40                                       
CONECT   13   30   49                                                 
CONECT   14   23   40   19   50                                       
CONECT   15   23   17   18   51                                       
CONECT   16    8   52   53                                            
CONECT   17   44   15   54   55                                       
CONECT   18   15   19   45   56                                       
CONECT   19   14   18    1   57                                       
CONECT   20    8    8   10                                            
CONECT   21   22   58   59                                            
CONECT   22   24   21   60   61                                       
CONECT   23   15   14                                                 
CONECT   24   29   22   62   63                                       
CONECT   25   26    6   64   65                                       
CONECT   26   30    4   25   66                                       
CONECT   27   28   41    4   67                                       
CONECT   28   11   30   27   68                                       
CONECT   29    6   24   69   70                                       
CONECT   30   28   13   26   71                                       
CONECT   31   42   42   41   72                                       
CONECT   32   42   33   33   35                                       
CONECT   33   43   32   32   37                                       
CONECT   34   37   37   38   73                                       
CONECT   35   32   41   38   38                                       
CONECT   36    6    2   74   75                                       
CONECT   37   33   34   34                                            
CONECT   38   35   35   34                                            
CONECT   39   10   10   12                                            
CONECT   40    5   12   14                                            
CONECT   41   31   35   27                                            
CONECT   42   32   31   31                                            
CONECT   43   33   76   77                                            
CONECT   44   17   78                                                 
CONECT   45   18   79                                                 
CONECT   46    1                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
