COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.846  -0.878   0.217  1.00  0.00           O  
HETATM    2  C   UNL     1       5.499  -0.683  -0.931  1.00  0.00           C  
HETATM    3  O   UNL     1       6.344  -0.948  -1.944  1.00  0.00           O  
HETATM    4  C   UNL     1       7.654  -1.466  -1.591  1.00  0.00           C  
HETATM    5  C   UNL     1       7.494  -2.785  -0.833  1.00  0.00           C  
HETATM    6  C   UNL     1       8.468  -1.705  -2.865  1.00  0.00           C  
HETATM    7  C   UNL     1       8.381  -0.453  -0.705  1.00  0.00           C  
HETATM    8  N   UNL     1       4.265  -0.205  -1.190  1.00  0.00           N  
HETATM    9  C   UNL     1       3.343   0.078  -0.087  1.00  0.00           C  
HETATM   10  C   UNL     1       1.902  -0.004  -0.594  1.00  0.00           C  
HETATM   11  O   UNL     1       1.674   1.030  -1.553  1.00  0.00           O  
HETATM   12  C   UNL     1       3.613   1.483   0.455  1.00  0.00           C  
HETATM   13  C   UNL     1       4.990   1.530   1.065  1.00  0.00           C  
HETATM   14  C   UNL     1       6.080   1.872   0.287  1.00  0.00           C  
HETATM   15  C   UNL     1       5.163   1.237   2.405  1.00  0.00           C  
HETATM   16  C   UNL     1       7.343   1.915   0.846  1.00  0.00           C  
HETATM   17  C   UNL     1       6.426   1.279   2.965  1.00  0.00           C  
HETATM   18  C   UNL     1       7.517   1.616   2.185  1.00  0.00           C  
HETATM   19  C   UNL     1       0.937   0.168   0.581  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.442  -0.030   0.116  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.390   0.039   1.236  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.672  -0.655   0.853  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.728  -0.317   1.345  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.686   1.504   1.565  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.962   1.919   0.878  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.184   1.567   1.420  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.909   2.653  -0.293  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.355   1.938   0.788  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.076   3.027  -0.929  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.304   2.665  -0.393  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.455   3.013  -1.027  1.00  0.00           O  
HETATM   32  N   UNL     1      -2.623  -1.675  -0.061  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.945  -2.282  -0.365  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.775  -1.266  -1.106  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.269  -0.249  -1.529  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.646  -2.669   0.939  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.712  -3.539   1.782  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.922  -3.451   0.619  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.367  -3.830   3.134  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.104  -1.510  -1.294  1.00  0.00           N  
HETATM   41  C   UNL     1      -6.854  -0.469  -2.030  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.139   0.696  -1.080  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.064   2.016  -1.850  1.00  0.00           C  
HETATM   44  H   UNL     1       6.976  -3.507  -1.464  1.00  0.00           H  
HETATM   45  H   UNL     1       8.477  -3.173  -0.568  1.00  0.00           H  
HETATM   46  H   UNL     1       6.914  -2.614   0.074  1.00  0.00           H  
HETATM   47  H   UNL     1       8.582  -0.765  -3.405  1.00  0.00           H  
HETATM   48  H   UNL     1       9.451  -2.094  -2.600  1.00  0.00           H  
HETATM   49  H   UNL     1       7.950  -2.427  -3.496  1.00  0.00           H  
HETATM   50  H   UNL     1       7.801  -0.282   0.203  1.00  0.00           H  
HETATM   51  H   UNL     1       9.364  -0.841  -0.440  1.00  0.00           H  
HETATM   52  H   UNL     1       8.495   0.487  -1.245  1.00  0.00           H  
HETATM   53  H   UNL     1       3.988  -0.049  -2.106  1.00  0.00           H  
HETATM   54  H   UNL     1       3.491  -0.653   0.708  1.00  0.00           H  
HETATM   55  H   UNL     1       1.736  -0.975  -1.060  1.00  0.00           H  
HETATM   56  H   UNL     1       1.803   1.923  -1.206  1.00  0.00           H  
HETATM   57  H   UNL     1       3.552   2.205  -0.359  1.00  0.00           H  
HETATM   58  H   UNL     1       2.871   1.728   1.215  1.00  0.00           H  
HETATM   59  H   UNL     1       5.944   2.105  -0.759  1.00  0.00           H  
HETATM   60  H   UNL     1       4.311   0.974   3.014  1.00  0.00           H  
HETATM   61  H   UNL     1       8.195   2.181   0.238  1.00  0.00           H  
HETATM   62  H   UNL     1       6.561   1.050   4.011  1.00  0.00           H  
HETATM   63  H   UNL     1       8.504   1.650   2.622  1.00  0.00           H  
HETATM   64  H   UNL     1       1.170  -0.566   1.353  1.00  0.00           H  
HETATM   65  H   UNL     1       1.041   1.172   0.992  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.534  -0.903  -0.382  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.958  -0.450   2.109  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.798   1.620   2.643  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.864   2.129   1.215  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.223   1.000   2.339  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.953   2.934  -0.710  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.309   1.662   1.212  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.034   3.601  -1.843  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.798  -1.974  -0.473  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.808  -3.168  -0.985  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.903  -1.767   1.495  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.521  -4.477   1.261  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.770  -3.014   1.941  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.741  -2.754   0.444  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.763  -4.056  -0.273  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.170  -4.100   1.459  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.702  -4.450   3.734  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.558  -2.892   3.654  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.309  -4.356   2.975  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.531  -2.316  -0.965  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.258  -0.116  -2.872  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.794  -0.883  -2.393  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.069   2.335  -2.123  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.469   1.877  -2.753  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.136   0.581  -0.654  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.400   0.701  -0.278  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   44   45   46                                       
CONECT    6    4   47   48   49                                       
CONECT    7    4   50   51   52                                       
CONECT    8    9   53    2                                            
CONECT    9    8   10   12   54                                       
CONECT   10    9   11   19   55                                       
CONECT   11   10   56                                                 
CONECT   12    9   13   57   58                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   16   59                                       
CONECT   15   13   17   17   60                                       
CONECT   16   14   18   18   61                                       
CONECT   17   15   15   18   62                                       
CONECT   18   16   16   17   63                                       
CONECT   19   10   64   65   20                                       
CONECT   20   21   66   19                                            
CONECT   21   20   22   24   67                                       
CONECT   22   21   23   23   32                                       
CONECT   23   22   22                                                 
CONECT   24   21   25   68   69                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25   28   70                                       
CONECT   27   25   29   29   71                                       
CONECT   28   26   30   30   72                                       
CONECT   29   27   27   30   73                                       
CONECT   30   28   28   29   31                                       
CONECT   31   30   43                                                 
CONECT   32   33   74   22                                            
CONECT   33   32   34   36   75                                       
CONECT   34   33   35   35   40                                       
CONECT   35   34   34                                                 
CONECT   36   33   37   38   76                                       
CONECT   37   36   39   77   78                                       
CONECT   38   36   79   80   81                                       
CONECT   39   37   82   83   84                                       
CONECT   40   41   85   34                                            
CONECT   41   40   42   86   87                                       
CONECT   42   41   43   90   91                                       
CONECT   43   88   89   42   31                                       
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
