COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.685   0.052  -1.412  1.00  0.00           C  
HETATM    2  C   UNL     1       0.184   0.859  -2.124  1.00  0.00           C  
HETATM    3  C   UNL     1       0.333   0.690  -3.489  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.384  -0.284  -4.150  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.263  -1.102  -3.438  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.406  -0.929  -2.059  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.841   0.243   0.074  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.960   1.251   0.344  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.116   1.442   1.830  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.963   0.657   2.525  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.479   2.302   2.401  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.623   2.533  -0.280  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.501   3.185   0.083  1.00  0.00           C  
HETATM   14  O   UNL     1       0.228   2.712   0.928  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.155   4.504  -0.558  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.115   0.843   3.970  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.930   0.232   4.689  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.534  -1.009   4.389  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.343   0.864   5.541  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.234  -1.786   3.353  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.600  -2.208   3.897  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.393  -1.598   5.095  1.00  0.00           C  
HETATM   23  C   UNL     1       0.876  -1.277   4.351  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.636  -1.126   3.655  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.390   0.144   4.448  1.00  0.00           C  
HETATM   26  C   UNL     1       1.339  -2.139   3.373  1.00  0.00           C  
HETATM   27  C   UNL     1       2.499  -1.848   2.685  1.00  0.00           C  
HETATM   28  C   UNL     1       3.211  -0.688   2.985  1.00  0.00           C  
HETATM   29  C   UNL     1       2.744   0.173   3.975  1.00  0.00           C  
HETATM   30  C   UNL     1       1.579  -0.124   4.653  1.00  0.00           C  
HETATM   31  C   UNL     1       4.463  -0.372   2.253  1.00  0.00           C  
HETATM   32  C   UNL     1       4.737   0.938   1.870  1.00  0.00           C  
HETATM   33  C   UNL     1       5.905   1.227   1.195  1.00  0.00           C  
HETATM   34  C   UNL     1       6.797   0.216   0.886  1.00  0.00           C  
HETATM   35  C   UNL     1       6.527  -1.088   1.258  1.00  0.00           C  
HETATM   36  C   UNL     1       5.365  -1.387   1.940  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.036  -2.148  -4.138  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.229  -3.347  -3.556  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.498  -1.927  -5.240  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.220  -0.466  -5.637  1.00  0.00           C  
HETATM   41  C   UNL     1       1.237  -0.672  -5.960  1.00  0.00           C  
HETATM   42  O   UNL     1       1.623  -0.856  -7.232  1.00  0.00           O  
HETATM   43  O   UNL     1       2.058  -0.670  -5.073  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.725   0.759  -6.352  1.00  0.00           C  
HETATM   45  O   UNL     1      -0.678   0.822  -7.692  1.00  0.00           O  
HETATM   46  O   UNL     1      -1.172   1.686  -5.720  1.00  0.00           O  
HETATM   47  H   UNL     1       0.749   1.623  -1.612  1.00  0.00           H  
HETATM   48  H   UNL     1       1.014   1.324  -4.039  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.084  -1.559  -1.502  1.00  0.00           H  
HETATM   50  H   UNL     1       0.092   0.616   0.492  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.092  -0.710   0.538  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.894   0.878  -0.074  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.472  -0.030   2.068  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.207   2.912  -0.955  1.00  0.00           H  
HETATM   55  H   UNL     1       0.779   4.877  -0.139  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.042   4.366  -1.633  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.951   5.222  -0.365  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.172   1.907   4.199  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.650  -2.672   3.104  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.368  -1.172   2.463  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.518  -2.394   4.968  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.916  -3.125   3.398  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.519  -2.679   5.150  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.338  -1.186   6.103  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.618  -1.518   3.922  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.640  -0.879   2.593  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.289  -0.104   5.504  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.238   0.818   4.318  1.00  0.00           H  
HETATM   69  H   UNL     1       0.786  -3.037   3.141  1.00  0.00           H  
HETATM   70  H   UNL     1       2.857  -2.519   1.919  1.00  0.00           H  
HETATM   71  H   UNL     1       3.292   1.073   4.211  1.00  0.00           H  
HETATM   72  H   UNL     1       1.216   0.542   5.420  1.00  0.00           H  
HETATM   73  H   UNL     1       4.041   1.728   2.110  1.00  0.00           H  
HETATM   74  H   UNL     1       6.122   2.244   0.902  1.00  0.00           H  
HETATM   75  H   UNL     1       7.708   0.446   0.354  1.00  0.00           H  
HETATM   76  H   UNL     1       7.227  -1.874   1.015  1.00  0.00           H  
HETATM   77  H   UNL     1       5.155  -2.406   2.230  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.735  -4.032  -4.014  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.790  -1.337  -5.961  1.00  0.00           H  
HETATM   80  H   UNL     1       2.558  -0.988  -7.439  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.002   1.609  -8.151  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4   48                                       
CONECT    4    3    3    5   40                                       
CONECT    5    4    6    6   37                                       
CONECT    6    1    5    5   49                                       
CONECT    7    1    8   50   51                                       
CONECT    8    7    9   12   52                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   16   53                                            
CONECT   11    9    9                                                 
CONECT   12    8   13   54                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   55   56   57                                       
CONECT   16   10   17   25   58                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   20   22                                            
CONECT   19   17   17                                                 
CONECT   20   18   21   59   60                                       
CONECT   21   20   24   61   62                                       
CONECT   22   18   23   63   64                                       
CONECT   23   22   26   30   30                                       
CONECT   24   21   25   65   66                                       
CONECT   25   16   24   67   68                                       
CONECT   26   23   27   27   69                                       
CONECT   27   26   26   28   70                                       
CONECT   28   27   29   29   31                                       
CONECT   29   28   28   30   71                                       
CONECT   30   23   23   29   72                                       
CONECT   31   28   32   36   36                                       
CONECT   32   31   33   33   73                                       
CONECT   33   32   32   34   74                                       
CONECT   34   33   35   35   75                                       
CONECT   35   34   34   36   76                                       
CONECT   36   31   31   35   77                                       
CONECT   37    5   38   39   39                                       
CONECT   38   37   78                                                 
CONECT   39   37   37                                                 
CONECT   40    4   41   44   79                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41   80                                                 
CONECT   43   41   41                                                 
CONECT   44   40   45   46   46                                       
CONECT   45   44   81                                                 
CONECT   46   44   44                                                 
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   40                                                      
CONECT   80   42                                                      
CONECT   81   45                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
