COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.372  -1.939  -0.765  1.00  0.00           C  
HETATM    2  N   UNL     1       2.155  -1.804   0.681  1.00  0.00           N  
HETATM    3  C   UNL     1       3.109  -2.648   1.418  1.00  0.00           C  
HETATM    4  C   UNL     1       4.512  -2.063   1.252  1.00  0.00           C  
HETATM    5  N   UNL     1       4.788  -1.818  -0.161  1.00  0.00           N  
HETATM    6  C   UNL     1       3.827  -1.743  -1.084  1.00  0.00           C  
HETATM    7  C   UNL     1       6.120  -1.656  -0.564  1.00  0.00           C  
HETATM    8  C   UNL     1       6.696  -0.387  -0.576  1.00  0.00           C  
HETATM    9  C   UNL     1       8.014  -0.232  -0.976  1.00  0.00           C  
HETATM   10  C   UNL     1       8.753  -1.335  -1.362  1.00  0.00           C  
HETATM   11  C   UNL     1       8.182  -2.594  -1.350  1.00  0.00           C  
HETATM   12  C   UNL     1       6.871  -2.758  -0.947  1.00  0.00           C  
HETATM   13  O   UNL     1       5.967   0.696  -0.197  1.00  0.00           O  
HETATM   14  C   UNL     1       6.623   1.965  -0.235  1.00  0.00           C  
HETATM   15  C   UNL     1       5.652   3.055   0.222  1.00  0.00           C  
HETATM   16  C   UNL     1       6.354   4.414   0.182  1.00  0.00           C  
HETATM   17  O   UNL     1       5.447   5.432   0.609  1.00  0.00           O  
HETATM   18  C   UNL     1       6.007   6.747   0.609  1.00  0.00           C  
HETATM   19  C   UNL     1       0.770  -2.140   1.039  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.179  -1.105   0.431  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.607  -1.381   0.905  1.00  0.00           C  
HETATM   22  N   UNL     1       0.227   0.241   0.857  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.556  -0.346   0.297  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.661  -1.297   2.330  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.001  -0.719   0.633  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.941   0.198  -0.105  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.260  -0.077  -0.143  1.00  0.00           N  
HETATM   28  O   UNL     1      -4.511   1.184  -0.665  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.227  -0.577   2.139  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.158   0.748  -0.956  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.590   0.225  -0.823  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.513   1.074  -1.659  1.00  0.00           C  
HETATM   33  N   UNL     1     -10.832   0.798  -1.697  1.00  0.00           N  
HETATM   34  C   UNL     1      -8.651  -1.224  -1.308  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.023   0.292   0.642  1.00  0.00           C  
HETATM   36  O   UNL     1      -9.069   2.004  -2.298  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.955   0.868   2.562  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.674  -0.942   2.475  1.00  0.00           C  
HETATM   39  O   UNL     1       4.141  -1.505  -2.231  1.00  0.00           O  
HETATM   40  H   UNL     1       2.061  -2.933  -1.087  1.00  0.00           H  
HETATM   41  H   UNL     1       1.782  -1.188  -1.291  1.00  0.00           H  
HETATM   42  H   UNL     1       2.842  -2.664   2.475  1.00  0.00           H  
HETATM   43  H   UNL     1       3.083  -3.663   1.020  1.00  0.00           H  
HETATM   44  H   UNL     1       4.580  -1.125   1.802  1.00  0.00           H  
HETATM   45  H   UNL     1       5.247  -2.765   1.647  1.00  0.00           H  
HETATM   46  H   UNL     1       8.463   0.750  -0.987  1.00  0.00           H  
HETATM   47  H   UNL     1       9.780  -1.212  -1.673  1.00  0.00           H  
HETATM   48  H   UNL     1       8.764  -3.452  -1.653  1.00  0.00           H  
HETATM   49  H   UNL     1       6.427  -3.742  -0.939  1.00  0.00           H  
HETATM   50  H   UNL     1       7.488   1.947   0.429  1.00  0.00           H  
HETATM   51  H   UNL     1       6.951   2.174  -1.253  1.00  0.00           H  
HETATM   52  H   UNL     1       4.787   3.073  -0.441  1.00  0.00           H  
HETATM   53  H   UNL     1       5.324   2.846   1.241  1.00  0.00           H  
HETATM   54  H   UNL     1       7.219   4.396   0.846  1.00  0.00           H  
HETATM   55  H   UNL     1       6.682   4.623  -0.836  1.00  0.00           H  
HETATM   56  H   UNL     1       5.256   7.462   0.945  1.00  0.00           H  
HETATM   57  H   UNL     1       6.864   6.777   1.281  1.00  0.00           H  
HETATM   58  H   UNL     1       6.327   7.004  -0.401  1.00  0.00           H  
HETATM   59  H   UNL     1       0.524  -3.129   0.653  1.00  0.00           H  
HETATM   60  H   UNL     1       0.664  -2.137   2.124  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.138  -1.169  -0.657  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.908  -2.380   0.589  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.345   0.947   0.417  1.00  0.00           H  
HETATM   64  H   UNL     1       0.197   0.326   1.862  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.330   0.638   0.706  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.428  -0.328  -0.786  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.479  -0.413   2.679  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.189  -1.750   0.333  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.615  -0.822   0.368  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.551  -1.245   2.673  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.114   1.781  -0.610  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.849   0.700  -2.000  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.187   0.054  -1.186  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.426   1.344  -2.235  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.983  -1.838  -0.703  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.671  -1.596  -1.214  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.342  -1.272  -2.352  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.980   1.325   0.988  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.044  -0.080   0.737  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.356  -0.322   1.247  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.685   1.528   2.091  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.036   0.952   3.645  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.951   1.156   2.249  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.881  -1.957   2.134  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.823  -0.884   3.553  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.350  -0.247   1.977  1.00  0.00           H  
CONECT    1    6    2   40   41                                       
CONECT    2    3    1   19                                            
CONECT    3    4    2   42   43                                       
CONECT    4    5    3   44   45                                       
CONECT    5    7    4    6                                            
CONECT    6    5   39   39    1                                       
CONECT    7    8    8   12    5                                       
CONECT    8    9   13    7    7                                       
CONECT    9   10   10    8   46                                       
CONECT   10    9    9   11   47                                       
CONECT   11   10   12   12   48                                       
CONECT   12   11   11    7   49                                       
CONECT   13   14    8                                                 
CONECT   14   15   13   50   51                                       
CONECT   15   16   14   52   53                                       
CONECT   16   17   15   54   55                                       
CONECT   17   18   16                                                 
CONECT   18   17   56   57   58                                       
CONECT   19    2   20   59   60                                       
CONECT   20   19   22   21   61                                       
CONECT   21   20   24   23   62                                       
CONECT   22   20   63   64                                            
CONECT   23   21   25   65   66                                       
CONECT   24   21   67                                                 
CONECT   25   23   29   26   68                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   30   69                                            
CONECT   28   26   26                                                 
CONECT   29   38   25   37   70                                       
CONECT   30   27   31   71   72                                       
CONECT   31   30   32   35   34                                       
CONECT   32   33   31   36   36                                       
CONECT   33   32   73   74                                            
CONECT   34   31   75   76   77                                       
CONECT   35   31   78   79   80                                       
CONECT   36   32   32                                                 
CONECT   37   29   81   82   83                                       
CONECT   38   29   84   85   86                                       
CONECT   39    6    6                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
