COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.850   1.554  -0.322  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.023   3.652   0.602  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.312   4.445   1.875  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.598   5.798   1.774  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.094   5.558   1.881  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.656   4.491   0.911  1.00  0.00           C  
HETATM    7  C   UNL     1       0.263   2.554  -0.859  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.077   2.645  -0.557  1.00  0.00           C  
HETATM    9  C   UNL     1       3.329   4.494  -0.973  1.00  0.00           C  
HETATM   10  C   UNL     1       4.677   4.375  -1.260  1.00  0.00           C  
HETATM   11  C   UNL     1       4.665   2.102  -0.823  1.00  0.00           C  
HETATM   12  C   UNL     1       4.054   0.079  -0.295  1.00  0.00           C  
HETATM   13  N   UNL     1       2.931   0.852  -0.185  1.00  0.00           N  
HETATM   14  C   UNL     1       3.294   2.142  -0.516  1.00  0.00           C  
HETATM   15  C   UNL     1       4.116  -1.373  -0.031  1.00  0.00           C  
HETATM   16  C   UNL     1       2.773  -4.607   0.888  1.00  0.00           C  
HETATM   17  C   UNL     1       1.702  -4.196   1.903  1.00  0.00           C  
HETATM   18  C   UNL     1       0.848  -5.417   2.254  1.00  0.00           C  
HETATM   19  C   UNL     1       1.220  -6.393   0.096  1.00  0.00           C  
HETATM   20  C   UNL     1       2.089  -5.211  -0.342  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.360   0.172  -0.160  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.111  -1.778  -0.509  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.733   2.032  -1.433  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.521   2.283   0.762  1.00  0.00           N  
HETATM   25  C   UNL     1       0.695   4.409   0.612  1.00  0.00           C  
HETATM   26  C   UNL     1       1.163   3.443  -0.273  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.543   3.612   0.326  1.00  0.00           C  
HETATM   28  C   UNL     1       2.609   3.359  -0.590  1.00  0.00           C  
HETATM   29  N   UNL     1       5.299   3.218  -1.183  1.00  0.00           N  
HETATM   30  N   UNL     1       5.068   0.823  -0.671  1.00  0.00           N  
HETATM   31  C   UNL     1       3.068  -2.179   0.358  1.00  0.00           C  
HETATM   32  N   UNL     1       3.548  -3.429   0.489  1.00  0.00           N  
HETATM   33  N   UNL     1       4.912  -3.413   0.180  1.00  0.00           N  
HETATM   34  C   UNL     1       5.259  -2.195  -0.137  1.00  0.00           C  
HETATM   35  C   UNL     1       6.639  -1.744  -0.541  1.00  0.00           C  
HETATM   36  O   UNL     1       0.266  -5.949   1.062  1.00  0.00           O  
HETATM   37  N   UNL     1      -4.723  -0.651  -1.124  1.00  0.00           N  
HETATM   38  N   UNL     1      -4.967  -1.597   0.771  1.00  0.00           N  
HETATM   39  O   UNL     1      -4.536  -0.486   0.996  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.618  -3.028  -1.180  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.540  -3.577  -2.118  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.952  -4.077  -0.118  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.876  -2.700  -1.986  1.00  0.00           C  
HETATM   44  H   UNL     1      -3.533   4.123  -0.238  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.386   4.602   1.975  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.939   3.897   2.741  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.828   6.263   0.815  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.925   6.447   2.586  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.565   6.485   1.658  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.852   5.241   2.896  1.00  0.00           H  
HETATM   51  H   UNL     1       0.615   1.799  -1.546  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.775   1.956  -1.011  1.00  0.00           H  
HETATM   53  H   UNL     1       2.839   5.454  -1.039  1.00  0.00           H  
HETATM   54  H   UNL     1       5.232   5.253  -1.556  1.00  0.00           H  
HETATM   55  H   UNL     1       2.046   0.551   0.076  1.00  0.00           H  
HETATM   56  H   UNL     1       3.436  -5.346   1.337  1.00  0.00           H  
HETATM   57  H   UNL     1       2.182  -3.816   2.805  1.00  0.00           H  
HETATM   58  H   UNL     1       1.069  -3.421   1.472  1.00  0.00           H  
HETATM   59  H   UNL     1       1.474  -6.176   2.723  1.00  0.00           H  
HETATM   60  H   UNL     1       0.057  -5.121   2.944  1.00  0.00           H  
HETATM   61  H   UNL     1       0.698  -6.801  -0.770  1.00  0.00           H  
HETATM   62  H   UNL     1       1.851  -7.165   0.536  1.00  0.00           H  
HETATM   63  H   UNL     1       1.464  -4.457  -0.819  1.00  0.00           H  
HETATM   64  H   UNL     1       2.846  -5.557  -1.046  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.615   1.902   1.650  1.00  0.00           H  
HETATM   66  H   UNL     1       1.388   5.099   1.069  1.00  0.00           H  
HETATM   67  H   UNL     1       2.048  -1.865   0.527  1.00  0.00           H  
HETATM   68  H   UNL     1       7.198  -1.446   0.346  1.00  0.00           H  
HETATM   69  H   UNL     1       7.157  -2.563  -1.040  1.00  0.00           H  
HETATM   70  H   UNL     1       6.559  -0.897  -1.222  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.644  -3.810  -1.543  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.907  -4.481  -2.603  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.302  -2.829  -2.874  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.720  -3.687   0.550  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.319  -4.982  -0.603  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.056  -4.311   0.456  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.638  -1.952  -2.743  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.243  -3.604  -2.472  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.644  -2.309  -1.319  1.00  0.00           H  
CONECT    1   21   23   23   24                                       
CONECT    2   24    3   27   44                                       
CONECT    3    2    4   45   46                                       
CONECT    4    3    5   47   48                                       
CONECT    5    4    6   49   50                                       
CONECT    6   27    5   25   25                                       
CONECT    7    8   26   26   51                                       
CONECT    8   27   27    7   52                                       
CONECT    9   28   28   10   53                                       
CONECT   10    9   29   29   54                                       
CONECT   11   14   14   29   30                                       
CONECT   12   13   30   30   15                                       
CONECT   13   14   12   55                                            
CONECT   14   28   11   11   13                                       
CONECT   15   12   34   31   31                                       
CONECT   16   32   20   17   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   36   59   60                                       
CONECT   19   20   36   61   62                                       
CONECT   20   16   19   63   64                                       
CONECT   21   39   37   37    1                                       
CONECT   22   40   38   38   37                                       
CONECT   23    1    1                                                 
CONECT   24    1    2   65                                            
CONECT   25    6    6   26   66                                       
CONECT   26    7    7   25   28                                       
CONECT   27    2    8    8    6                                       
CONECT   28   26    9    9   14                                       
CONECT   29   10   10   11                                            
CONECT   30   11   12   12                                            
CONECT   31   15   15   32   67                                       
CONECT   32   31   33   16                                            
CONECT   33   34   34   32                                            
CONECT   34   35   15   33   33                                       
CONECT   35   34   68   69   70                                       
CONECT   36   19   18                                                 
CONECT   37   22   21   21                                            
CONECT   38   22   22   39                                            
CONECT   39   38   21                                                 
CONECT   40   43   42   22   41                                       
CONECT   41   40   71   72   73                                       
CONECT   42   40   74   75   76                                       
CONECT   43   40   77   78   79                                       
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   31                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
