COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.566  -0.424   1.436  1.00  0.00           O  
HETATM    2  C   UNL     1       3.805   0.041   0.319  1.00  0.00           C  
HETATM    3  O   UNL     1       2.421  -0.352   0.448  1.00  0.00           O  
HETATM    4  C   UNL     1       3.745   1.590   0.306  1.00  0.00           C  
HETATM    5  C   UNL     1       2.447   1.858  -0.494  1.00  0.00           C  
HETATM    6  O   UNL     1       1.715   2.938   0.088  1.00  0.00           O  
HETATM    7  C   UNL     1       1.654   0.538  -0.381  1.00  0.00           C  
HETATM    8  N   UNL     1       0.349   0.789   0.235  1.00  0.00           N  
HETATM    9  C   UNL     1       0.045   0.673   1.559  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.206   0.973   1.756  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.783   1.300   0.575  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.791   1.191  -0.415  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.106   1.463  -1.677  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.328   1.829  -2.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.293   1.945  -1.106  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.072   1.698   0.181  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.088   1.827   1.112  1.00  0.00           N  
HETATM   18  C   UNL     1      10.483  -1.275  -2.435  1.00  0.00           C  
HETATM   19  C   UNL     1       9.799   0.076  -2.212  1.00  0.00           C  
HETATM   20  C   UNL     1       9.433   0.692  -3.563  1.00  0.00           C  
HETATM   21  C   UNL     1       8.528  -0.127  -1.383  1.00  0.00           C  
HETATM   22  O   UNL     1       7.825   1.112  -1.278  1.00  0.00           O  
HETATM   23  C   UNL     1       8.905  -0.620   0.015  1.00  0.00           C  
HETATM   24  O   UNL     1       9.789   0.320   0.630  1.00  0.00           O  
HETATM   25  C   UNL     1       7.659  -0.758   0.852  1.00  0.00           C  
HETATM   26  O   UNL     1       7.499  -0.050   1.823  1.00  0.00           O  
HETATM   27  N   UNL     1       6.723  -1.669   0.520  1.00  0.00           N  
HETATM   28  P   UNL     1       5.367  -1.820   1.430  1.00  0.00           P  
HETATM   29  O   UNL     1       5.773  -2.212   2.938  1.00  0.00           O  
HETATM   30  O   UNL     1       4.506  -2.881   0.861  1.00  0.00           O  
HETATM   31  P   UNL     1      -5.586   2.293   0.631  1.00  0.00           P  
HETATM   32  O   UNL     1      -6.484   2.354   1.806  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.501   3.746  -0.056  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.163   1.230  -0.431  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.649  -0.060  -0.055  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.828  -1.143  -0.762  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.469  -1.072  -0.327  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.407  -2.517  -0.413  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.693  -3.531  -1.124  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.884  -2.556  -0.811  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.486  -3.905  -0.412  1.00  0.00           C  
HETATM   42  O   UNL     1      -9.832  -3.986  -0.886  1.00  0.00           O  
HETATM   43  O   UNL     1      -8.584  -1.505  -0.142  1.00  0.00           O  
HETATM   44  C   UNL     1      -8.118  -0.194  -0.465  1.00  0.00           C  
HETATM   45  O   UNL     1      -8.900   0.776   0.234  1.00  0.00           O  
HETATM   46  H   UNL     1       4.225  -0.334  -0.614  1.00  0.00           H  
HETATM   47  H   UNL     1       3.666   1.985   1.319  1.00  0.00           H  
HETATM   48  H   UNL     1       4.612   2.009  -0.205  1.00  0.00           H  
HETATM   49  H   UNL     1       2.680   2.074  -1.537  1.00  0.00           H  
HETATM   50  H   UNL     1       2.192   3.779   0.094  1.00  0.00           H  
HETATM   51  H   UNL     1       1.521   0.100  -1.370  1.00  0.00           H  
HETATM   52  H   UNL     1       0.740   0.375   2.330  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.550   2.043  -3.035  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.915   1.642   2.048  1.00  0.00           H  
HETATM   55  H   UNL     1      11.388  -1.130  -3.025  1.00  0.00           H  
HETATM   56  H   UNL     1      10.743  -1.713  -1.472  1.00  0.00           H  
HETATM   57  H   UNL     1       9.805  -1.942  -2.967  1.00  0.00           H  
HETATM   58  H   UNL     1      10.476   0.743  -1.680  1.00  0.00           H  
HETATM   59  H   UNL     1       8.823  -0.012  -4.130  1.00  0.00           H  
HETATM   60  H   UNL     1       8.871   1.612  -3.403  1.00  0.00           H  
HETATM   61  H   UNL     1      10.343   0.914  -4.120  1.00  0.00           H  
HETATM   62  H   UNL     1       7.892  -0.867  -1.869  1.00  0.00           H  
HETATM   63  H   UNL     1       8.332   1.818  -0.854  1.00  0.00           H  
HETATM   64  H   UNL     1       9.401  -1.588  -0.061  1.00  0.00           H  
HETATM   65  H   UNL     1       9.413   1.206   0.730  1.00  0.00           H  
HETATM   66  H   UNL     1       6.851  -2.236  -0.257  1.00  0.00           H  
HETATM   67  H   UNL     1       6.339  -1.560   3.375  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.928   3.780  -0.835  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.560  -0.183   1.025  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.874  -0.989  -1.840  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.890  -1.730  -0.736  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.314  -2.690   0.659  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.007  -4.429  -0.950  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.973  -2.424  -1.890  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.897  -4.710  -0.851  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.477  -4.000   0.674  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.276  -4.817  -0.668  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.210  -0.030  -1.539  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.843   0.748   0.022  1.00  0.00           H  
CONECT    1   28    2                                                 
CONECT    2    1    3    4   46                                       
CONECT    3    7    2                                                 
CONECT    4    5    2   47   48                                       
CONECT    5    6    7    4   49                                       
CONECT    6    5   50                                                 
CONECT    7    8    3    5   51                                       
CONECT    8    9   12    7                                            
CONECT    9   10   10    8   52                                       
CONECT   10   11    9    9                                            
CONECT   11   16   10   12   12                                       
CONECT   12   11   11    8   13                                       
CONECT   13   12   14   14                                            
CONECT   14   15   13   13   53                                       
CONECT   15   16   16   14                                            
CONECT   16   17   11   15   15                                       
CONECT   17   31   16   54                                            
CONECT   18   19   55   56   57                                       
CONECT   19   18   20   21   58                                       
CONECT   20   19   59   60   61                                       
CONECT   21   19   23   22   62                                       
CONECT   22   21   63                                                 
CONECT   23   24   25   21   64                                       
CONECT   24   23   65                                                 
CONECT   25   27   23   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   66                                            
CONECT   28   30   30    1   27                                       
CONECT   28   29                                                      
CONECT   29   28   67                                                 
CONECT   30   28   28                                                 
CONECT   31   34   32   32   33                                       
CONECT   31   17                                                      
CONECT   32   31   31                                                 
CONECT   33   31   68                                                 
CONECT   34   35   31                                                 
CONECT   35   44   36   34   69                                       
CONECT   36   38   35   37   70                                       
CONECT   37   36   71                                                 
CONECT   38   40   39   36   72                                       
CONECT   39   38   73                                                 
CONECT   40   41   43   38   74                                       
CONECT   41   42   40   75   76                                       
CONECT   42   41   77                                                 
CONECT   43   40   44                                                 
CONECT   44   43   45   35   78                                       
CONECT   45   44   79                                                 
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   27                                                      
CONECT   67   29                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
