COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.626  -0.029  -0.649  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.891   1.153  -0.540  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.523   1.061  -0.326  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.957  -0.136  -0.268  1.00  0.00           N  
HETATM    5  N   UNL     1      -3.988  -1.194  -0.597  1.00  0.00           N  
HETATM    6  C   UNL     1       6.095   2.744  -0.410  1.00  0.00           C  
HETATM    7  C   UNL     1       6.957   3.551  -1.384  1.00  0.00           C  
HETATM    8  N   UNL     1       8.333   3.622  -0.872  1.00  0.00           N  
HETATM    9  C   UNL     1       8.386   4.368   0.392  1.00  0.00           C  
HETATM   10  C   UNL     1       8.904   2.277  -0.715  1.00  0.00           C  
HETATM   11  C   UNL     1       8.042   1.471   0.259  1.00  0.00           C  
HETATM   12  N   UNL     1       6.665   1.399  -0.252  1.00  0.00           N  
HETATM   13  C   UNL     1       5.823   0.568   0.618  1.00  0.00           C  
HETATM   14  C   UNL     1       4.401   0.517   0.054  1.00  0.00           C  
HETATM   15  C   UNL     1       3.517  -0.321   0.983  1.00  0.00           C  
HETATM   16  C   UNL     1       6.398  -0.849   0.683  1.00  0.00           C  
HETATM   17  C   UNL     1       5.537  -1.703   1.618  1.00  0.00           C  
HETATM   18  N   UNL     1       4.141  -1.639   1.166  1.00  0.00           N  
HETATM   19  C   UNL     1       3.445  -2.768   0.924  1.00  0.00           C  
HETATM   20  O   UNL     1       3.999  -3.848   0.984  1.00  0.00           O  
HETATM   21  C   UNL     1       2.011  -2.692   0.586  1.00  0.00           C  
HETATM   22  C   UNL     1       1.449  -3.622  -0.294  1.00  0.00           C  
HETATM   23  C   UNL     1       0.107  -3.548  -0.608  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.443  -4.451  -1.463  1.00  0.00           O  
HETATM   25  C   UNL     1       0.427  -5.450  -1.998  1.00  0.00           C  
HETATM   26  C   UNL     1       1.211  -1.694   1.148  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.128  -1.624   0.832  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.686  -2.545  -0.047  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.042  -2.470  -0.365  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.677  -1.238  -0.411  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.004  -0.004  -0.800  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.632  -0.570  -1.997  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.781   0.566   0.203  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.734  -0.200   0.862  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.481   0.352   1.883  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.282   1.671   2.259  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.351   2.448   1.607  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.600   1.910   0.557  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.674   2.768  -0.191  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.021   3.916  -0.389  1.00  0.00           O  
HETATM   41  N   UNL     1      -4.493   2.404  -0.669  1.00  0.00           N  
HETATM   42  C   UNL     1      -3.742   3.421  -1.410  1.00  0.00           C  
HETATM   43  H   UNL     1      -1.927   1.954  -0.209  1.00  0.00           H  
HETATM   44  H   UNL     1       6.073   3.246   0.558  1.00  0.00           H  
HETATM   45  H   UNL     1       5.081   2.666  -0.801  1.00  0.00           H  
HETATM   46  H   UNL     1       6.956   3.064  -2.359  1.00  0.00           H  
HETATM   47  H   UNL     1       6.552   4.558  -1.480  1.00  0.00           H  
HETATM   48  H   UNL     1       7.763   3.870   1.135  1.00  0.00           H  
HETATM   49  H   UNL     1       9.416   4.406   0.748  1.00  0.00           H  
HETATM   50  H   UNL     1       8.020   5.382   0.232  1.00  0.00           H  
HETATM   51  H   UNL     1       8.925   1.776  -1.683  1.00  0.00           H  
HETATM   52  H   UNL     1       9.918   2.356  -0.324  1.00  0.00           H  
HETATM   53  H   UNL     1       8.447   0.463   0.355  1.00  0.00           H  
HETATM   54  H   UNL     1       8.042   1.958   1.234  1.00  0.00           H  
HETATM   55  H   UNL     1       5.801   0.997   1.620  1.00  0.00           H  
HETATM   56  H   UNL     1       4.000   1.529  -0.014  1.00  0.00           H  
HETATM   57  H   UNL     1       4.419   0.066  -0.938  1.00  0.00           H  
HETATM   58  H   UNL     1       3.425   0.177   1.948  1.00  0.00           H  
HETATM   59  H   UNL     1       2.530  -0.441   0.538  1.00  0.00           H  
HETATM   60  H   UNL     1       6.397  -1.288  -0.315  1.00  0.00           H  
HETATM   61  H   UNL     1       7.419  -0.810   1.062  1.00  0.00           H  
HETATM   62  H   UNL     1       5.883  -2.736   1.591  1.00  0.00           H  
HETATM   63  H   UNL     1       5.610  -1.318   2.635  1.00  0.00           H  
HETATM   64  H   UNL     1       2.064  -4.397  -0.727  1.00  0.00           H  
HETATM   65  H   UNL     1       1.231  -4.970  -2.557  1.00  0.00           H  
HETATM   66  H   UNL     1       0.850  -6.038  -1.184  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.137  -6.104  -2.663  1.00  0.00           H  
HETATM   68  H   UNL     1       1.642  -0.977   1.832  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.745  -0.852   1.268  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.541  -3.280  -0.554  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.861  -0.965  -2.659  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.309  -1.374  -1.707  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.192   0.208  -2.515  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.891  -1.229   0.574  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.222  -0.247   2.391  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.860   2.091   3.069  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.201   3.475   1.907  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.003   3.368  -2.467  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.990   4.410  -1.023  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.673   3.243  -1.290  1.00  0.00           H  
CONECT    1    5   31    2    2                                       
CONECT    2    1    1    3   41                                       
CONECT    3    4    4    2   43                                       
CONECT    4   30    3    3                                            
CONECT    5   30   30    1                                            
CONECT    6   12    7   44   45                                       
CONECT    7    8    6   46   47                                       
CONECT    8   10    9    7                                            
CONECT    9    8   48   49   50                                       
CONECT   10   11    8   51   52                                       
CONECT   11   10   12   53   54                                       
CONECT   12   11   13    6                                            
CONECT   13   16   12   14   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   18   14   58   59                                       
CONECT   16   17   13   60   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   19   15                                            
CONECT   19   20   20   18   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   22   26                                       
CONECT   22   21   21   23   64                                       
CONECT   23   22   24   28   28                                       
CONECT   24   25   23                                                 
CONECT   25   24   65   66   67                                       
CONECT   26   21   27   27   68                                       
CONECT   27   26   26   28   69                                       
CONECT   28   23   23   27   29                                       
CONECT   29   28   30   70                                            
CONECT   30   29    5    5    4                                       
CONECT   31   32    1   33                                            
CONECT   32   31   71   72   73                                       
CONECT   33   34   31   38   38                                       
CONECT   34   35   35   33   74                                       
CONECT   35   34   34   36   75                                       
CONECT   36   35   37   37   76                                       
CONECT   37   36   36   38   77                                       
CONECT   38   33   33   37   39                                       
CONECT   39   38   41   40   40                                       
CONECT   40   39   39                                                 
CONECT   41    2   39   42                                            
CONECT   42   41   78   79   80                                       
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   22                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
