COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.461  -0.454  -0.406  1.00  0.00           C  
HETATM    2  C   UNL     1       0.483   0.548  -0.743  1.00  0.00           C  
HETATM    3  C   UNL     1       1.826   0.154  -0.958  1.00  0.00           C  
HETATM    4  N   UNL     1       2.131  -1.130  -0.834  1.00  0.00           N  
HETATM    5  N   UNL     1      -0.045  -1.727  -0.312  1.00  0.00           N  
HETATM    6  C   UNL     1      -8.720   0.896  -0.309  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.236   0.940  -0.019  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.432   0.043   1.220  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.019  -0.467   1.575  1.00  0.00           C  
HETATM   10  N   UNL     1      -8.097   0.546   0.993  1.00  0.00           N  
HETATM   11  C   UNL     1      -6.752  -0.014   0.803  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.778   1.110   0.443  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.378   0.526   0.244  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.468   1.576  -0.091  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.172   1.225  -0.303  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.797  -0.095  -0.188  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.232   2.210  -0.637  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.628   3.507  -0.745  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.624   4.465  -1.087  1.00  0.00           C  
HETATM   20  C   UNL     1       0.075   1.883  -0.854  1.00  0.00           C  
HETATM   21  C   UNL     1       1.214  -2.032  -0.517  1.00  0.00           C  
HETATM   22  C   UNL     1       1.635  -3.474  -0.394  1.00  0.00           C  
HETATM   23  C   UNL     1       0.853  -4.320  -1.401  1.00  0.00           C  
HETATM   24  C   UNL     1       1.280  -5.784  -1.276  1.00  0.00           C  
HETATM   25  C   UNL     1       0.990  -6.281   0.142  1.00  0.00           C  
HETATM   26  C   UNL     1       1.772  -5.434   1.148  1.00  0.00           C  
HETATM   27  C   UNL     1       1.345  -3.970   1.023  1.00  0.00           C  
HETATM   28  N   UNL     1       2.791   1.083  -1.288  1.00  0.00           N  
HETATM   29  C   UNL     1       3.506   0.687  -2.509  1.00  0.00           C  
HETATM   30  C   UNL     1       3.726   1.289  -0.174  1.00  0.00           C  
HETATM   31  C   UNL     1       4.626   2.490  -0.477  1.00  0.00           C  
HETATM   32  C   UNL     1       5.638   2.663   0.658  1.00  0.00           C  
HETATM   33  C   UNL     1       4.595   0.041   0.003  1.00  0.00           C  
HETATM   34  C   UNL     1       5.607   0.284   1.124  1.00  0.00           C  
HETATM   35  N   UNL     1       6.445   1.443   0.786  1.00  0.00           N  
HETATM   36  C   UNL     1       7.518   1.623   1.773  1.00  0.00           C  
HETATM   37  C   UNL     1       8.336   0.334   1.878  1.00  0.00           C  
HETATM   38  C   UNL     1       8.429   2.771   1.333  1.00  0.00           C  
HETATM   39  H   UNL     1      -8.497   0.133  -1.054  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.370   1.871  -0.648  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.550   1.961   0.199  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.795   0.545  -0.867  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.844   0.623   2.046  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.088  -0.794   0.981  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.894  -0.519   2.657  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.843  -1.444   1.124  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.426  -0.497   1.723  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.775  -0.747  -0.004  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.104   1.593  -0.478  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.755   1.842   1.250  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.051   0.043   1.165  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.400  -0.207  -0.562  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.527  -0.848   0.069  1.00  0.00           H  
HETATM   54  H   UNL     1       0.158   4.459  -0.328  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.192   4.208  -2.055  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.071   5.457  -1.141  1.00  0.00           H  
HETATM   57  H   UNL     1       0.792   2.649  -1.109  1.00  0.00           H  
HETATM   58  H   UNL     1       2.702  -3.559  -0.599  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.214  -4.234  -1.197  1.00  0.00           H  
HETATM   60  H   UNL     1       1.059  -3.967  -2.411  1.00  0.00           H  
HETATM   61  H   UNL     1       0.723  -6.387  -1.993  1.00  0.00           H  
HETATM   62  H   UNL     1       2.347  -5.870  -1.480  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.077  -6.195   0.346  1.00  0.00           H  
HETATM   64  H   UNL     1       1.294  -7.324   0.231  1.00  0.00           H  
HETATM   65  H   UNL     1       1.565  -5.788   2.158  1.00  0.00           H  
HETATM   66  H   UNL     1       2.839  -5.520   0.944  1.00  0.00           H  
HETATM   67  H   UNL     1       1.902  -3.367   1.740  1.00  0.00           H  
HETATM   68  H   UNL     1       0.278  -3.884   1.227  1.00  0.00           H  
HETATM   69  H   UNL     1       2.813   0.681  -3.350  1.00  0.00           H  
HETATM   70  H   UNL     1       4.310   1.397  -2.705  1.00  0.00           H  
HETATM   71  H   UNL     1       3.926  -0.310  -2.377  1.00  0.00           H  
HETATM   72  H   UNL     1       3.166   1.476   0.742  1.00  0.00           H  
HETATM   73  H   UNL     1       5.156   2.320  -1.414  1.00  0.00           H  
HETATM   74  H   UNL     1       4.016   3.390  -0.562  1.00  0.00           H  
HETATM   75  H   UNL     1       6.289   3.509   0.439  1.00  0.00           H  
HETATM   76  H   UNL     1       5.107   2.846   1.593  1.00  0.00           H  
HETATM   77  H   UNL     1       3.963  -0.809   0.262  1.00  0.00           H  
HETATM   78  H   UNL     1       5.124  -0.169  -0.927  1.00  0.00           H  
HETATM   79  H   UNL     1       5.077   0.480   2.056  1.00  0.00           H  
HETATM   80  H   UNL     1       6.237  -0.598   1.243  1.00  0.00           H  
HETATM   81  H   UNL     1       7.083   1.857   2.744  1.00  0.00           H  
HETATM   82  H   UNL     1       8.772   0.100   0.906  1.00  0.00           H  
HETATM   83  H   UNL     1       9.132   0.468   2.610  1.00  0.00           H  
HETATM   84  H   UNL     1       7.687  -0.484   2.191  1.00  0.00           H  
HETATM   85  H   UNL     1       7.846   3.689   1.258  1.00  0.00           H  
HETATM   86  H   UNL     1       9.225   2.904   2.065  1.00  0.00           H  
HETATM   87  H   UNL     1       8.865   2.537   0.361  1.00  0.00           H  
CONECT    1    2    2    5   16                                       
CONECT    2    3   20    1    1                                       
CONECT    3   28    4    4    2                                       
CONECT    4    3    3   21                                            
CONECT    5   21   21    1                                            
CONECT    6    7   10   39   40                                       
CONECT    7    8    6   41   42                                       
CONECT    8    9    7   43   44                                       
CONECT    9    8   10   45   46                                       
CONECT   10    9    6   11                                            
CONECT   11   10   12   47   48                                       
CONECT   12   13   11   49   50                                       
CONECT   13   14   12   51   52                                       
CONECT   14   15   13                                                 
CONECT   15   17   16   16   14                                       
CONECT   16    1   15   15   53                                       
CONECT   17   20   20   18   15                                       
CONECT   18   17   19                                                 
CONECT   19   18   54   55   56                                       
CONECT   20    2   17   17   57                                       
CONECT   21    4   22    5    5                                       
CONECT   22   23   21   27   58                                       
CONECT   23   24   22   59   60                                       
CONECT   24   25   23   61   62                                       
CONECT   25   24   26   63   64                                       
CONECT   26   25   27   65   66                                       
CONECT   27   22   26   67   68                                       
CONECT   28   30   29    3                                            
CONECT   29   28   69   70   71                                       
CONECT   30   31   33   28   72                                       
CONECT   31   32   30   73   74                                       
CONECT   32   35   31   75   76                                       
CONECT   33   34   30   77   78                                       
CONECT   34   35   33   79   80                                       
CONECT   35   36   32   34                                            
CONECT   36   38   37   35   81                                       
CONECT   37   36   82   83   84                                       
CONECT   38   36   85   86   87                                       
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
