COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.589   0.098   1.016  1.00  0.00           N  
HETATM    2  C   UNL     1       0.401   2.651  -0.421  1.00  0.00           C  
HETATM    3  C   UNL     1       0.212   2.914  -1.765  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.975   3.468  -2.202  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.979   3.762  -1.290  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.787   3.498   0.058  1.00  0.00           C  
HETATM    7  C   UNL     1       5.307  -0.400  -0.022  1.00  0.00           C  
HETATM    8  C   UNL     1       5.529  -1.448  -2.259  1.00  0.00           C  
HETATM    9  C   UNL     1       4.338  -3.187  -4.048  1.00  0.00           C  
HETATM   10  C   UNL     1       4.040  -1.838  -4.093  1.00  0.00           C  
HETATM   11  C   UNL     1       4.631  -0.969  -3.195  1.00  0.00           C  
HETATM   12  C   UNL     1       6.985  -1.470   2.214  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.478  -3.040   2.308  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.483  -2.021   1.198  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.527  -1.776   0.358  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.871  -2.365   0.260  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.731  -1.951  -0.663  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.335  -0.862  -1.628  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.955  -0.256  -1.528  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.107  -0.706  -0.573  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.735  -0.345  -0.212  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.372  -1.138   0.858  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.067  -1.105   1.541  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.883  -1.782   2.534  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.077  -0.323   1.066  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.747  -0.372   1.679  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.709   0.566   2.888  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.714   0.063   0.673  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.054   0.382  -0.447  1.00  0.00           O  
HETATM   30  C   UNL     1       1.593   0.526   0.039  1.00  0.00           C  
HETATM   31  C   UNL     1       1.700   2.053   0.054  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.598   2.943   0.490  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.148   4.308  -1.717  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.136   4.584  -0.723  1.00  0.00           C  
HETATM   35  C   UNL     1       2.929  -0.074   0.395  1.00  0.00           C  
HETATM   36  O   UNL     1       3.032  -0.790   1.369  1.00  0.00           O  
HETATM   37  N   UNL     1       4.009   0.184  -0.368  1.00  0.00           N  
HETATM   38  C   UNL     1       6.173  -0.500  -1.280  1.00  0.00           C  
HETATM   39  C   UNL     1       5.831  -2.796  -2.217  1.00  0.00           C  
HETATM   40  C   UNL     1       5.236  -3.666  -3.112  1.00  0.00           C  
HETATM   41  C   UNL     1       6.007   0.488   1.009  1.00  0.00           C  
HETATM   42  O   UNL     1       5.151   0.670   2.139  1.00  0.00           O  
HETATM   43  C   UNL     1       7.308  -0.180   1.457  1.00  0.00           C  
HETATM   44  C   UNL     1       8.079   0.770   2.375  1.00  0.00           C  
HETATM   45  O   UNL     1       9.341   0.190   2.711  1.00  0.00           O  
HETATM   46  H   UNL     1       0.861  -0.157   1.911  1.00  0.00           H  
HETATM   47  H   UNL     1       0.994   2.685  -2.474  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.122   3.673  -3.252  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.567   3.725   0.770  1.00  0.00           H  
HETATM   50  H   UNL     1       5.158  -1.395   0.396  1.00  0.00           H  
HETATM   51  H   UNL     1       3.876  -3.866  -4.749  1.00  0.00           H  
HETATM   52  H   UNL     1       3.346  -1.463  -4.831  1.00  0.00           H  
HETATM   53  H   UNL     1       4.391   0.083  -3.225  1.00  0.00           H  
HETATM   54  H   UNL     1       7.913  -1.946   2.533  1.00  0.00           H  
HETATM   55  H   UNL     1       6.377  -1.236   3.088  1.00  0.00           H  
HETATM   56  H   UNL     1       6.436  -2.147   1.559  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.032  -3.967   1.948  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.896  -2.659   3.148  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.501  -3.230   2.632  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.162  -3.145   0.948  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.714  -2.394  -0.723  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.445  -1.261  -2.637  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.057  -0.051  -1.523  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.649   0.525  -2.208  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.123   0.405  -0.691  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.245   0.271   0.318  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.533  -1.390   2.003  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.923   1.585   2.564  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.456   0.252   3.616  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.719   0.530   3.344  1.00  0.00           H  
HETATM   71  H   UNL     1       1.298   0.192  -0.956  1.00  0.00           H  
HETATM   72  H   UNL     1       2.508   2.366  -0.607  1.00  0.00           H  
HETATM   73  H   UNL     1       1.908   2.392   1.068  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.448   2.738   1.539  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.018   5.016  -1.197  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.412   3.658  -0.218  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.733   5.288   0.005  1.00  0.00           H  
HETATM   78  H   UNL     1       3.926   0.756  -1.147  1.00  0.00           H  
HETATM   79  H   UNL     1       6.266   0.485  -1.736  1.00  0.00           H  
HETATM   80  H   UNL     1       7.162  -0.872  -1.012  1.00  0.00           H  
HETATM   81  H   UNL     1       6.532  -3.170  -1.486  1.00  0.00           H  
HETATM   82  H   UNL     1       5.472  -4.719  -3.079  1.00  0.00           H  
HETATM   83  H   UNL     1       6.230   1.457   0.562  1.00  0.00           H  
HETATM   84  H   UNL     1       4.306   1.089   1.928  1.00  0.00           H  
HETATM   85  H   UNL     1       7.916  -0.414   0.583  1.00  0.00           H  
HETATM   86  H   UNL     1       8.240   1.719   1.864  1.00  0.00           H  
HETATM   87  H   UNL     1       7.505   0.942   3.286  1.00  0.00           H  
HETATM   88  H   UNL     1       9.885   0.739   3.292  1.00  0.00           H  
CONECT    1   30   28   46                                            
CONECT    2   31    3    3   32                                       
CONECT    3    2    2    4   47                                       
CONECT    4    3    5    5   48                                       
CONECT    5    4    4    6   33                                       
CONECT    6   32   32    5   49                                       
CONECT    7   41   38   37   50                                       
CONECT    8   38   39   39   11                                       
CONECT    9   40   40   10   51                                       
CONECT   10   11   11    9   52                                       
CONECT   11    8   10   10   53                                       
CONECT   12   43   54   55   56                                       
CONECT   13   14   57   58   59                                       
CONECT   14   22   13   15   15                                       
CONECT   15   14   14   20   16                                       
CONECT   16   15   17   17   60                                       
CONECT   17   16   16   18   61                                       
CONECT   18   19   17   62   63                                       
CONECT   19   20   20   18   64                                       
CONECT   20   21   15   19   19                                       
CONECT   21   22   22   20   65                                       
CONECT   22   23   21   21   14                                       
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   66                                            
CONECT   26   28   27   25   67                                       
CONECT   27   26   68   69   70                                       
CONECT   28    1   29   29   26                                       
CONECT   29   28   28                                                 
CONECT   30   35   31    1   71                                       
CONECT   31   30    2   72   73                                       
CONECT   32    2    6    6   74                                       
CONECT   33    5   34                                                 
CONECT   34   33   75   76   77                                       
CONECT   35   37   36   36   30                                       
CONECT   36   35   35                                                 
CONECT   37    7   35   78                                            
CONECT   38    7    8   79   80                                       
CONECT   39    8    8   40   81                                       
CONECT   40   39    9    9   82                                       
CONECT   41   43   42    7   83                                       
CONECT   42   41   84                                                 
CONECT   43   41   12   44   85                                       
CONECT   44   43   45   86   87                                       
CONECT   45   44   88                                                 
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
