COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.023  -0.478  -1.557  1.00  0.00           N  
HETATM    2  C   UNL     1       3.656   0.041   0.405  1.00  0.00           C  
HETATM    3  C   UNL     1       4.703  -0.556   1.349  1.00  0.00           C  
HETATM    4  C   UNL     1       4.008  -1.119   2.590  1.00  0.00           C  
HETATM    5  C   UNL     1       5.055  -1.716   3.533  1.00  0.00           C  
HETATM    6  C   UNL     1       1.930   1.701   0.287  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.677  -0.956   0.462  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.380   2.184  -0.264  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.995   0.316   0.113  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.582  -1.523   0.611  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.116  -1.841  -0.654  1.00  0.00           C  
HETATM   12  C   UNL     1       1.241   2.767   1.100  1.00  0.00           C  
HETATM   13  C   UNL     1       2.555   2.333  -0.959  1.00  0.00           C  
HETATM   14  C   UNL     1       6.764  -1.320  -3.100  1.00  0.00           C  
HETATM   15  C   UNL     1       6.076  -0.206  -2.354  1.00  0.00           C  
HETATM   16  O   UNL     1       6.470   0.935  -2.470  1.00  0.00           O  
HETATM   17  C   UNL     1       4.351   0.606  -0.836  1.00  0.00           C  
HETATM   18  O   UNL     1       5.406  -1.604   0.679  1.00  0.00           O  
HETATM   19  O   UNL     1       3.306  -0.071   3.260  1.00  0.00           O  
HETATM   20  O   UNL     1       4.399  -2.345   4.636  1.00  0.00           O  
HETATM   21  O   UNL     1       2.953   1.089   1.075  1.00  0.00           O  
HETATM   22  O   UNL     1       0.977   0.712  -0.107  1.00  0.00           O  
HETATM   23  C   UNL     1       0.425  -0.031   0.982  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.756  -0.172  -0.049  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.855  -0.942  -0.540  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.884  -0.064  -1.001  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.513   0.690   0.037  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.062   2.487  -1.483  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.900   2.546  -0.405  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.768   3.960  -0.561  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.624   1.069   1.152  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.129  -1.178   0.415  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.400  -1.491   1.604  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.956  -1.989   1.661  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.382  -1.826  -1.697  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.467  -2.638  -2.152  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.239  -2.721  -1.210  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.742  -3.498  -2.302  1.00  0.00           O  
HETATM   39  O   UNL     1       0.408  -1.017  -1.698  1.00  0.00           O  
HETATM   40  O   UNL     1       1.936   3.824   1.547  1.00  0.00           O  
HETATM   41  O   UNL     1       0.062   2.670   1.348  1.00  0.00           O  
HETATM   42  C   UNL     1       3.304   1.254  -1.747  1.00  0.00           C  
HETATM   43  O   UNL     1       2.380   0.261  -2.195  1.00  0.00           O  
HETATM   44  H   UNL     1       4.708  -1.391  -1.464  1.00  0.00           H  
HETATM   45  H   UNL     1       2.952  -0.736   0.106  1.00  0.00           H  
HETATM   46  H   UNL     1       5.407   0.221   1.647  1.00  0.00           H  
HETATM   47  H   UNL     1       3.304  -1.896   2.291  1.00  0.00           H  
HETATM   48  H   UNL     1       5.650  -2.454   2.996  1.00  0.00           H  
HETATM   49  H   UNL     1       5.706  -0.923   3.902  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.038  -1.584   1.277  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.819   2.760   0.551  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.475   0.538  -0.840  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.290  -1.354  -0.187  1.00  0.00           H  
HETATM   54  H   UNL     1       0.678  -2.472  -0.255  1.00  0.00           H  
HETATM   55  H   UNL     1       1.771   2.761  -1.582  1.00  0.00           H  
HETATM   56  H   UNL     1       3.252   3.115  -0.660  1.00  0.00           H  
HETATM   57  H   UNL     1       6.292  -1.450  -4.075  1.00  0.00           H  
HETATM   58  H   UNL     1       7.816  -1.071  -3.236  1.00  0.00           H  
HETATM   59  H   UNL     1       6.680  -2.246  -2.530  1.00  0.00           H  
HETATM   60  H   UNL     1       5.085   1.353  -0.535  1.00  0.00           H  
HETATM   61  H   UNL     1       4.840  -2.331   0.384  1.00  0.00           H  
HETATM   62  H   UNL     1       3.871   0.656   3.555  1.00  0.00           H  
HETATM   63  H   UNL     1       5.003  -2.746   5.276  1.00  0.00           H  
HETATM   64  H   UNL     1       0.005   0.657   1.716  1.00  0.00           H  
HETATM   65  H   UNL     1       1.209  -0.626   1.450  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.246  -1.570   0.261  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.033   0.468   0.990  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.723   2.009  -2.252  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.362   2.227   0.488  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.484   2.043  -1.278  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.862   4.254  -0.733  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.247   0.921   2.030  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.728  -1.755  -0.419  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.703  -1.014   2.388  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.030  -1.197  -2.515  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.228  -2.134  -2.471  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.605  -3.386  -0.427  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.403  -4.075  -2.708  1.00  0.00           H  
HETATM   79  H   UNL     1       0.780  -1.512  -2.440  1.00  0.00           H  
HETATM   80  H   UNL     1       1.451   4.482   2.064  1.00  0.00           H  
HETATM   81  H   UNL     1       3.799   1.708  -2.606  1.00  0.00           H  
HETATM   82  H   UNL     1       1.683   0.603  -2.773  1.00  0.00           H  
CONECT    1   15   17   44                                            
CONECT    2    3   21   17   45                                       
CONECT    3   18    4    2   46                                       
CONECT    4    5    3   19   47                                       
CONECT    5   20    4   48   49                                       
CONECT    6   22   21   12   13                                       
CONECT    7   11   24   23   50                                       
CONECT    8   28   27   29   51                                       
CONECT    9   27   31   32   52                                       
CONECT   10   34   34   32   53                                       
CONECT   11   37   39    7   54                                       
CONECT   12   41   41    6   40                                       
CONECT   13    6   42   55   56                                       
CONECT   14   15   57   58   59                                       
CONECT   15   16   16   14    1                                       
CONECT   16   15   15                                                 
CONECT   17    2    1   42   60                                       
CONECT   18    3   61                                                 
CONECT   19    4   62                                                 
CONECT   20    5   63                                                 
CONECT   21    2    6                                                 
CONECT   22   23    6                                                 
CONECT   23    7   22   64   65                                       
CONECT   24   25    7                                                 
CONECT   25   35   26   24   66                                       
CONECT   26   25   27                                                 
CONECT   27   26    8    9   67                                       
CONECT   28    8   68                                                 
CONECT   29    8   30   69   70                                       
CONECT   30   29   71                                                 
CONECT   31    9   72                                                 
CONECT   32    9   10   33   73                                       
CONECT   33   32   74                                                 
CONECT   34   10   10                                                 
CONECT   35   36   37   25   75                                       
CONECT   36   35   76                                                 
CONECT   37   38   35   11   77                                       
CONECT   38   37   78                                                 
CONECT   39   11   79                                                 
CONECT   40   12   80                                                 
CONECT   41   12   12                                                 
CONECT   42   17   13   43   81                                       
CONECT   43   42   82                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
