COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.366  -0.701  -3.159  1.00  0.00           O  
HETATM    2  C   UNL     1       5.033  -0.185  -3.136  1.00  0.00           C  
HETATM    3  O   UNL     1       4.310  -0.781  -2.057  1.00  0.00           O  
HETATM    4  C   UNL     1       5.007  -0.442  -0.856  1.00  0.00           C  
HETATM    5  C   UNL     1       6.001  -1.556  -0.465  1.00  0.00           C  
HETATM    6  C   UNL     1       5.227  -2.469   0.462  1.00  0.00           C  
HETATM    7  C   UNL     1       5.487  -3.769   0.864  1.00  0.00           C  
HETATM    8  C   UNL     1       4.626  -4.414   1.731  1.00  0.00           C  
HETATM    9  C   UNL     1       3.501  -3.761   2.199  1.00  0.00           C  
HETATM   10  C   UNL     1       3.240  -2.465   1.799  1.00  0.00           C  
HETATM   11  C   UNL     1       4.102  -1.816   0.930  1.00  0.00           C  
HETATM   12  C   UNL     1       4.042  -0.414   0.348  1.00  0.00           C  
HETATM   13  C   UNL     1       2.619  -0.092  -0.112  1.00  0.00           C  
HETATM   14  C   UNL     1       1.736   0.260   1.076  1.00  0.00           C  
HETATM   15  O   UNL     1       1.736  -0.261   2.165  1.00  0.00           O  
HETATM   16  C   UNL     1       0.858   1.408   0.610  1.00  0.00           C  
HETATM   17  N   UNL     1       1.205   1.685  -0.801  1.00  0.00           N  
HETATM   18  C   UNL     1       2.600   1.201  -0.966  1.00  0.00           C  
HETATM   19  C   UNL     1       1.121   2.650   1.463  1.00  0.00           C  
HETATM   20  C   UNL     1       2.552   3.088   1.286  1.00  0.00           C  
HETATM   21  C   UNL     1       2.882   3.987   0.289  1.00  0.00           C  
HETATM   22  C   UNL     1       4.195   4.388   0.127  1.00  0.00           C  
HETATM   23  C   UNL     1       5.178   3.891   0.962  1.00  0.00           C  
HETATM   24  C   UNL     1       4.848   2.993   1.959  1.00  0.00           C  
HETATM   25  C   UNL     1       3.534   2.595   2.124  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.615   1.007   0.714  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.875  -0.215  -0.169  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.672   0.136  -1.539  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.316  -0.689   0.029  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.239   0.387  -0.342  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.476   0.426   0.190  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.827  -0.430   0.978  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.325   1.415  -0.150  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.658   1.458   0.424  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.667   0.740  -0.499  1.00  0.00           C  
HETATM   36  O   UNL     1      -8.875   1.531  -0.407  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.433   2.906  -0.404  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.172   2.913   0.489  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.576  -1.911  -0.854  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.954  -2.452  -0.570  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.040  -1.990  -1.290  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.304  -2.486  -1.029  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.481  -3.445  -0.049  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.395  -3.908   0.669  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.131  -3.415   0.406  1.00  0.00           C  
HETATM   46  N   UNL     1       5.075   1.272  -2.951  1.00  0.00           N  
HETATM   47  H   UNL     1       6.768  -0.474  -2.310  1.00  0.00           H  
HETATM   48  H   UNL     1       4.537  -0.417  -4.078  1.00  0.00           H  
HETATM   49  H   UNL     1       5.519   0.514  -0.964  1.00  0.00           H  
HETATM   50  H   UNL     1       6.324  -2.103  -1.351  1.00  0.00           H  
HETATM   51  H   UNL     1       6.860  -1.131   0.053  1.00  0.00           H  
HETATM   52  H   UNL     1       6.366  -4.280   0.499  1.00  0.00           H  
HETATM   53  H   UNL     1       4.832  -5.427   2.042  1.00  0.00           H  
HETATM   54  H   UNL     1       2.827  -4.263   2.876  1.00  0.00           H  
HETATM   55  H   UNL     1       2.361  -1.955   2.165  1.00  0.00           H  
HETATM   56  H   UNL     1       4.375   0.316   1.086  1.00  0.00           H  
HETATM   57  H   UNL     1       2.198  -0.928  -0.671  1.00  0.00           H  
HETATM   58  H   UNL     1       1.232   2.688  -0.902  1.00  0.00           H  
HETATM   59  H   UNL     1       3.310   1.931  -0.576  1.00  0.00           H  
HETATM   60  H   UNL     1       2.810   0.976  -2.011  1.00  0.00           H  
HETATM   61  H   UNL     1       0.454   3.454   1.150  1.00  0.00           H  
HETATM   62  H   UNL     1       0.940   2.416   2.512  1.00  0.00           H  
HETATM   63  H   UNL     1       2.114   4.375  -0.364  1.00  0.00           H  
HETATM   64  H   UNL     1       4.452   5.090  -0.653  1.00  0.00           H  
HETATM   65  H   UNL     1       6.203   4.204   0.834  1.00  0.00           H  
HETATM   66  H   UNL     1       5.616   2.604   2.612  1.00  0.00           H  
HETATM   67  H   UNL     1       3.277   1.893   2.904  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.852   0.764   1.750  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.241   1.835   0.382  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.188  -1.015   0.107  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.297   0.845  -1.742  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.471  -0.956   1.074  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.959   1.070  -0.971  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.660   1.007   1.416  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.299   0.728  -1.525  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.851  -0.275  -0.149  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.202   3.551   0.021  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.183   3.227  -1.415  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.431   3.181   1.513  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.426   3.601   0.091  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.509  -1.623  -1.903  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.833  -2.679  -0.640  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.901  -1.240  -2.055  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.152  -2.124  -1.590  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.468  -3.832   0.155  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.534  -4.657   1.435  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.282  -3.777   0.967  1.00  0.00           H  
HETATM   88  H   UNL     1       5.592   1.649  -3.731  1.00  0.00           H  
HETATM   89  H   UNL     1       4.127   1.604  -3.044  1.00  0.00           H  
CONECT    1    2   47                                                 
CONECT    2    1    3   46   48                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   12   49                                       
CONECT    5    4    6   50   51                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   52                                       
CONECT    8    7    9    9   53                                       
CONECT    9    8    8   10   54                                       
CONECT   10    9   11   11   55                                       
CONECT   11    6   10   10   12                                       
CONECT   12    4   11   13   56                                       
CONECT   13   12   14   18   57                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   19   26                                       
CONECT   17   16   18   58                                            
CONECT   18   13   17   59   60                                       
CONECT   19   16   20   61   62                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   63                                       
CONECT   22   21   23   23   64                                       
CONECT   23   22   22   24   65                                       
CONECT   24   23   25   25   66                                       
CONECT   25   20   24   24   67                                       
CONECT   26   16   27   68   69                                       
CONECT   27   26   28   29   70                                       
CONECT   28   27   71                                                 
CONECT   29   27   30   39   72                                       
CONECT   30   29   31   73                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34                                                 
CONECT   34   33   35   38   74                                       
CONECT   35   34   36   75   76                                       
CONECT   36   35   37                                                 
CONECT   37   36   38   77   78                                       
CONECT   38   34   37   79   80                                       
CONECT   39   29   40   81   82                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   83                                       
CONECT   42   41   43   43   84                                       
CONECT   43   42   42   44   85                                       
CONECT   44   43   45   45   86                                       
CONECT   45   40   44   44   87                                       
CONECT   46    2   88   89                                            
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
