COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.531  -0.246   0.498  1.00  0.00           N  
HETATM    2  C   UNL     1       0.071  -0.506   0.498  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.252  -1.601   1.513  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.040  -2.953   0.884  1.00  0.00           C  
HETATM    5  C   UNL     1       1.247  -3.388   0.625  1.00  0.00           C  
HETATM    6  C   UNL     1       1.452  -4.632   0.044  1.00  0.00           C  
HETATM    7  C   UNL     1       0.366  -5.433  -0.275  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.918  -5.000  -0.005  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.118  -3.758   0.571  1.00  0.00           C  
HETATM   10  O   UNL     1       2.717  -5.065  -0.197  1.00  0.00           O  
HETATM   11  C   UNL     1       3.527  -4.262  -1.058  1.00  0.00           C  
HETATM   12  C   UNL     1       4.754  -3.762  -0.292  1.00  0.00           C  
HETATM   13  C   UNL     1       5.249  -2.457  -0.919  1.00  0.00           C  
HETATM   14  C   UNL     1       6.134  -1.717   0.083  1.00  0.00           C  
HETATM   15  N   UNL     1       6.538  -0.416  -0.494  1.00  0.00           N  
HETATM   16  C   UNL     1       5.563   0.602  -0.485  1.00  0.00           C  
HETATM   17  C   UNL     1       4.251   0.315  -0.156  1.00  0.00           C  
HETATM   18  C   UNL     1       3.291   1.329  -0.174  1.00  0.00           C  
HETATM   19  C   UNL     1       3.677   2.637  -0.487  1.00  0.00           C  
HETATM   20  C   UNL     1       4.993   2.916  -0.791  1.00  0.00           C  
HETATM   21  C   UNL     1       5.936   1.904  -0.797  1.00  0.00           C  
HETATM   22  C   UNL     1       5.405   4.328  -1.119  1.00  0.00           C  
HETATM   23  O   UNL     1       5.788   5.002   0.081  1.00  0.00           O  
HETATM   24  C   UNL     1       6.199   6.356  -0.119  1.00  0.00           C  
HETATM   25  C   UNL     1       1.875   1.023   0.115  1.00  0.00           C  
HETATM   26  O   UNL     1       1.025   1.887   0.013  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.675   0.775   0.875  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.093   1.336   2.054  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.147   0.450   1.138  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.894   1.697   1.350  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.333   1.433   1.482  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.793   0.611   2.687  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.074   2.114   2.634  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.081   1.247   0.186  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.413   0.880   0.205  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.099   0.709  -0.984  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.452   0.905  -2.189  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.120   1.272  -2.207  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.435   1.447  -1.020  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.552   0.309  -0.964  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.387   1.385  -1.660  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.724  -1.023  -1.697  1.00  0.00           C  
HETATM   43  H   UNL     1       2.185  -0.915   0.751  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.240  -0.828  -0.495  1.00  0.00           H  
HETATM   45  H   UNL     1       0.402  -1.497   2.379  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.291  -1.507   1.829  1.00  0.00           H  
HETATM   47  H   UNL     1       2.090  -2.761   0.874  1.00  0.00           H  
HETATM   48  H   UNL     1       0.524  -6.396  -0.737  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.763  -5.630  -0.242  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.121  -3.416   0.775  1.00  0.00           H  
HETATM   51  H   UNL     1       3.850  -4.857  -1.912  1.00  0.00           H  
HETATM   52  H   UNL     1       2.947  -3.409  -1.409  1.00  0.00           H  
HETATM   53  H   UNL     1       4.485  -3.586   0.749  1.00  0.00           H  
HETATM   54  H   UNL     1       5.543  -4.512  -0.342  1.00  0.00           H  
HETATM   55  H   UNL     1       5.826  -2.681  -1.817  1.00  0.00           H  
HETATM   56  H   UNL     1       4.396  -1.832  -1.181  1.00  0.00           H  
HETATM   57  H   UNL     1       5.578  -1.549   1.005  1.00  0.00           H  
HETATM   58  H   UNL     1       7.022  -2.313   0.294  1.00  0.00           H  
HETATM   59  H   UNL     1       7.425  -0.271  -0.859  1.00  0.00           H  
HETATM   60  H   UNL     1       3.970  -0.693   0.114  1.00  0.00           H  
HETATM   61  H   UNL     1       2.943   3.429  -0.491  1.00  0.00           H  
HETATM   62  H   UNL     1       6.963   2.126  -1.045  1.00  0.00           H  
HETATM   63  H   UNL     1       6.248   4.309  -1.810  1.00  0.00           H  
HETATM   64  H   UNL     1       4.568   4.853  -1.579  1.00  0.00           H  
HETATM   65  H   UNL     1       7.058   6.380  -0.789  1.00  0.00           H  
HETATM   66  H   UNL     1       5.379   6.924  -0.559  1.00  0.00           H  
HETATM   67  H   UNL     1       6.474   6.798   0.839  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.602   1.493   0.058  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.123   0.751   2.824  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.560  -0.080   0.280  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.227  -0.177   2.026  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.543   2.197   2.153  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.636  -0.064   2.544  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.027   0.266   3.383  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.493   2.758   3.294  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.102   2.428   2.455  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.918   0.727   1.147  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.988   0.771  -3.118  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.614   1.425  -3.150  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.395   1.738  -1.034  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.885   0.201   0.068  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.054   1.493  -2.693  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.438   1.096  -1.646  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.264   2.334  -1.138  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.129  -1.790  -1.201  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.774  -1.313  -1.683  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.390  -0.916  -2.729  1.00  0.00           H  
CONECT    1    2   25   43                                            
CONECT    2    1    3   27   44                                       
CONECT    3    2    4   45   46                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   47                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6    8   48                                       
CONECT    8    7    9    9   49                                       
CONECT    9    4    8    8   50                                       
CONECT   10    6   11                                                 
CONECT   11   10   12   51   52                                       
CONECT   12   11   13   53   54                                       
CONECT   13   12   14   55   56                                       
CONECT   14   13   15   57   58                                       
CONECT   15   14   16   59                                            
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   60                                       
CONECT   18   17   19   19   25                                       
CONECT   19   18   18   20   61                                       
CONECT   20   19   21   21   22                                       
CONECT   21   16   20   20   62                                       
CONECT   22   20   23   63   64                                       
CONECT   23   22   24                                                 
CONECT   24   23   65   66   67                                       
CONECT   25    1   18   26   26                                       
CONECT   26   25   25                                                 
CONECT   27    2   28   29   68                                       
CONECT   28   27   69                                                 
CONECT   29   27   30   70   71                                       
CONECT   30   29   31   72                                            
CONECT   31   30   32   33   34                                       
CONECT   32   31   33   73   74                                       
CONECT   33   31   32   75   76                                       
CONECT   34   31   35   35   39                                       
CONECT   35   34   34   36   77                                       
CONECT   36   35   37   37   40                                       
CONECT   37   36   36   38   78                                       
CONECT   38   37   39   39   79                                       
CONECT   39   34   38   38   80                                       
CONECT   40   36   41   42   81                                       
CONECT   41   40   82   83   84                                       
CONECT   42   40   85   86   87                                       
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   35                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
