COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.866   1.536   0.490  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.655  -0.692   0.088  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.079  -0.197  -0.171  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.389  -1.943  -0.751  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.706  -3.002   0.117  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.901  -4.955  -1.428  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.909  -4.738   0.063  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.516  -4.379  -0.388  1.00  0.00           C  
HETATM    9  C   UNL     1       1.891  -4.191  -0.032  1.00  0.00           C  
HETATM   10  C   UNL     1       2.277  -1.781  -0.162  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.117   0.925  -0.125  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.418   2.098  -0.194  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.819   2.533   0.075  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.115   3.698  -0.041  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.713   1.238   1.881  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.724   0.333  -0.269  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.323   1.090   0.619  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.259   2.126   0.250  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.439   3.374   1.117  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.715  -2.494  -1.280  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.695  -3.725   0.853  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.929  -3.968  -0.778  1.00  0.00           C  
HETATM   23  C   UNL     1       0.500  -4.554   0.421  1.00  0.00           C  
HETATM   24  C   UNL     1       2.282  -2.866   0.574  1.00  0.00           C  
HETATM   25  C   UNL     1       2.663  -0.461   0.455  1.00  0.00           C  
HETATM   26  O   UNL     1       2.274   0.627  -0.423  1.00  0.00           O  
HETATM   27  C   UNL     1       1.270   1.416  -0.012  1.00  0.00           C  
HETATM   28  O   UNL     1       0.672   1.157   1.006  1.00  0.00           O  
HETATM   29  C   UNL     1       0.889   2.628  -0.824  1.00  0.00           C  
HETATM   30  C   UNL     1       1.832   3.784  -0.483  1.00  0.00           C  
HETATM   31  C   UNL     1       1.481   5.036  -1.270  1.00  0.00           C  
HETATM   32  C   UNL     1       0.007   5.114  -1.632  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.860   4.444  -0.564  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.491   3.020  -0.515  1.00  0.00           N  
HETATM   35  C   UNL     1       4.177  -0.424   0.669  1.00  0.00           C  
HETATM   36  C   UNL     1       4.886  -0.478  -0.686  1.00  0.00           C  
HETATM   37  C   UNL     1       6.375  -0.566  -0.472  1.00  0.00           C  
HETATM   38  C   UNL     1       6.986  -1.801  -0.363  1.00  0.00           C  
HETATM   39  C   UNL     1       8.352  -1.881  -0.166  1.00  0.00           C  
HETATM   40  C   UNL     1       9.107  -0.726  -0.079  1.00  0.00           C  
HETATM   41  C   UNL     1       8.495   0.509  -0.188  1.00  0.00           C  
HETATM   42  C   UNL     1       7.130   0.589  -0.389  1.00  0.00           C  
HETATM   43  C   UNL     1       4.559   0.869   1.393  1.00  0.00           C  
HETATM   44  C   UNL     1       3.936   0.874   2.790  1.00  0.00           C  
HETATM   45  H   UNL     1      -4.541  -0.933   1.145  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.207   0.000  -1.236  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.791  -0.959   0.145  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.741  -1.688  -1.589  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.020  -2.516   0.811  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.466  -4.446  -2.209  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.341  -5.782  -1.865  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.588  -5.339  -0.674  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.067  -5.809  -0.063  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.030  -4.473   1.114  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.356  -3.977  -1.378  1.00  0.00           H  
HETATM   56  H   UNL     1       2.592  -4.960   0.293  1.00  0.00           H  
HETATM   57  H   UNL     1       1.912  -4.114  -1.119  1.00  0.00           H  
HETATM   58  H   UNL     1       2.002  -1.833  -1.203  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.855   0.855   2.109  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.311   1.483   0.378  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.267   0.877   1.687  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.363   2.396  -0.801  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.204   3.134   2.154  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.771   4.160   0.766  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.472   3.717   1.049  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.238  -1.713  -1.832  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.520  -3.339  -1.940  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.331  -2.822  -0.443  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.333  -4.414   1.426  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.409  -3.406  -1.554  1.00  0.00           H  
HETATM   71  H   UNL     1       0.340  -4.956   1.410  1.00  0.00           H  
HETATM   72  H   UNL     1       2.565  -2.813   1.614  1.00  0.00           H  
HETATM   73  H   UNL     1       2.160  -0.350   1.416  1.00  0.00           H  
HETATM   74  H   UNL     1       0.968   2.394  -1.886  1.00  0.00           H  
HETATM   75  H   UNL     1       1.759   4.000   0.582  1.00  0.00           H  
HETATM   76  H   UNL     1       2.855   3.490  -0.717  1.00  0.00           H  
HETATM   77  H   UNL     1       1.743   5.910  -0.674  1.00  0.00           H  
HETATM   78  H   UNL     1       2.068   5.050  -2.189  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.284   6.160  -1.724  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.154   4.613  -2.587  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.676   4.907   0.405  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.914   4.544  -0.827  1.00  0.00           H  
HETATM   83  H   UNL     1       4.480  -1.280   1.272  1.00  0.00           H  
HETATM   84  H   UNL     1       4.546  -1.354  -1.238  1.00  0.00           H  
HETATM   85  H   UNL     1       4.653   0.422  -1.254  1.00  0.00           H  
HETATM   86  H   UNL     1       6.396  -2.703  -0.431  1.00  0.00           H  
HETATM   87  H   UNL     1       8.829  -2.846  -0.080  1.00  0.00           H  
HETATM   88  H   UNL     1      10.174  -0.789   0.075  1.00  0.00           H  
HETATM   89  H   UNL     1       9.085   1.411  -0.119  1.00  0.00           H  
HETATM   90  H   UNL     1       6.653   1.554  -0.479  1.00  0.00           H  
HETATM   91  H   UNL     1       5.644   0.931   1.478  1.00  0.00           H  
HETATM   92  H   UNL     1       4.189   1.724   0.827  1.00  0.00           H  
HETATM   93  H   UNL     1       2.855   0.763   2.707  1.00  0.00           H  
HETATM   94  H   UNL     1       4.342   0.047   3.372  1.00  0.00           H  
HETATM   95  H   UNL     1       4.167   1.816   3.287  1.00  0.00           H  
CONECT    1   15   18   16   13                                       
CONECT    2    3    4   16   45                                       
CONECT    3   17    2   46   47                                       
CONECT    4   20    2    5   48                                       
CONECT    5    4   21   22   49                                       
CONECT    6   22   50   51   52                                       
CONECT    7   22    8   53   54                                       
CONECT    8    7   23   23   55                                       
CONECT    9   23   24   56   57                                       
CONECT   10   25   24   24   58                                       
CONECT   11   12   12                                                 
CONECT   12   13   11   11   34                                       
CONECT   13    1   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15    1   59                                                 
CONECT   16    2    1                                                 
CONECT   17    3   18   60   61                                       
CONECT   18   17   19    1   62                                       
CONECT   19   18   63   64   65                                       
CONECT   20    4   66   67   68                                       
CONECT   21    5   69                                                 
CONECT   22    5    7    6   70                                       
CONECT   23    8    8    9   71                                       
CONECT   24   10   10    9   72                                       
CONECT   25   35   10   26   73                                       
CONECT   26   25   27                                                 
CONECT   27   26   29   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   34   27   30   74                                       
CONECT   30   29   31   75   76                                       
CONECT   31   32   30   77   78                                       
CONECT   32   33   31   79   80                                       
CONECT   33   34   32   81   82                                       
CONECT   34   12   33   29                                            
CONECT   35   43   36   25   83                                       
CONECT   36   35   37   84   85                                       
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   86                                       
CONECT   39   38   40   40   87                                       
CONECT   40   39   39   41   88                                       
CONECT   41   42   42   40   89                                       
CONECT   42   37   41   41   90                                       
CONECT   43   44   35   91   92                                       
CONECT   44   43   93   94   95                                       
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
