COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      26.449 -34.861  -3.156  1.00  0.00           O  
HETATM    2  C   UNL     1      26.358 -34.133  -4.165  1.00  0.00           C  
HETATM    3  C   UNL     1      26.197 -32.733  -3.983  1.00  0.00           C  
HETATM    4  N   UNL     1      26.178 -32.203  -2.647  1.00  0.00           N  
HETATM    5  C   UNL     1      25.522 -32.757  -1.508  1.00  0.00           C  
HETATM    6  O   UNL     1      25.502 -32.014  -0.548  1.00  0.00           O  
HETATM    7  C   UNL     1      24.685 -33.892  -1.486  1.00  0.00           C  
HETATM    8  C   UNL     1      25.004 -34.955  -0.634  1.00  0.00           C  
HETATM    9  C   UNL     1      23.362 -33.825  -1.954  1.00  0.00           C  
HETATM   10  C   UNL     1      22.566 -34.985  -2.054  1.00  0.00           C  
HETATM   11  C   UNL     1      21.255 -35.003  -2.580  1.00  0.00           C  
HETATM   12  C   UNL     1      20.591 -33.765  -2.731  1.00  0.00           C  
HETATM   13  O   UNL     1      19.579 -33.443  -1.721  1.00  0.00           O  
HETATM   14  C   UNL     1      18.425 -34.365  -1.542  1.00  0.00           C  
HETATM   15  C   UNL     1      20.049 -33.242  -4.100  1.00  0.00           C  
HETATM   16  O   UNL     1      18.651 -32.924  -3.973  1.00  0.00           O  
HETATM   17  C   UNL     1      17.668 -32.634  -4.853  1.00  0.00           C  
HETATM   18  O   UNL     1      17.257 -33.543  -5.602  1.00  0.00           O  
HETATM   19  N   UNL     1      16.885 -31.563  -4.542  1.00  0.00           N  
HETATM   20  C   UNL     1      20.673 -33.348  -5.364  1.00  0.00           C  
HETATM   21  C   UNL     1      21.627 -32.336  -5.604  1.00  0.00           C  
HETATM   22  C   UNL     1      20.815 -34.577  -5.990  1.00  0.00           C  
HETATM   23  C   UNL     1      20.771 -35.057  -7.346  1.00  0.00           C  
HETATM   24  C   UNL     1      20.531 -34.228  -8.583  1.00  0.00           C  
HETATM   25  C   UNL     1      21.728 -36.300  -7.798  1.00  0.00           C  
HETATM   26  O   UNL     1      22.452 -36.118  -9.017  1.00  0.00           O  
HETATM   27  C   UNL     1      22.681 -36.887  -6.776  1.00  0.00           C  
HETATM   28  O   UNL     1      22.808 -38.272  -7.215  1.00  0.00           O  
HETATM   29  C   UNL     1      21.664 -39.139  -7.112  1.00  0.00           C  
HETATM   30  C   UNL     1      24.029 -36.161  -6.764  1.00  0.00           C  
HETATM   31  C   UNL     1      24.980 -36.828  -5.740  1.00  0.00           C  
HETATM   32  C   UNL     1      24.248 -36.881  -4.387  1.00  0.00           C  
HETATM   33  C   UNL     1      26.435 -36.157  -5.606  1.00  0.00           C  
HETATM   34  C   UNL     1      26.345 -34.706  -5.448  1.00  0.00           C  
HETATM   35  C   UNL     1      26.292 -33.828  -6.549  1.00  0.00           C  
HETATM   36  O   UNL     1      26.316 -34.336  -7.847  1.00  0.00           O  
HETATM   37  C   UNL     1      27.624 -34.247  -8.488  1.00  0.00           C  
HETATM   38  C   UNL     1      26.179 -32.427  -6.399  1.00  0.00           C  
HETATM   39  O   UNL     1      26.121 -31.695  -7.404  1.00  0.00           O  
HETATM   40  C   UNL     1      26.119 -31.870  -5.099  1.00  0.00           C  
HETATM   41  C   UNL     1      26.013 -30.456  -4.993  1.00  0.00           C  
HETATM   42  C   UNL     1      24.773 -29.830  -5.202  1.00  0.00           C  
HETATM   43  C   UNL     1      24.651 -28.406  -5.138  1.00  0.00           C  
HETATM   44  C   UNL     1      25.775 -27.598  -4.882  1.00  0.00           C  
HETATM   45  C   UNL     1      27.022 -28.204  -4.709  1.00  0.00           C  
HETATM   46  C   UNL     1      27.148 -29.628  -4.758  1.00  0.00           C  
HETATM   47  H   UNL     1      24.252 -35.751  -0.743  1.00  0.00           H  
HETATM   48  H   UNL     1      25.997 -35.350  -0.896  1.00  0.00           H  
HETATM   49  H   UNL     1      25.014 -34.600   0.407  1.00  0.00           H  
HETATM   50  H   UNL     1      22.948 -32.870  -2.242  1.00  0.00           H  
HETATM   51  H   UNL     1      22.985 -35.918  -1.707  1.00  0.00           H  
HETATM   52  H   UNL     1      20.777 -35.931  -2.857  1.00  0.00           H  
HETATM   53  H   UNL     1      21.383 -33.034  -2.513  1.00  0.00           H  
HETATM   54  H   UNL     1      20.385 -32.209  -3.926  1.00  0.00           H  
HETATM   55  H   UNL     1      17.766 -33.979  -0.751  1.00  0.00           H  
HETATM   56  H   UNL     1      17.863 -34.436  -2.485  1.00  0.00           H  
HETATM   57  H   UNL     1      18.793 -35.362  -1.258  1.00  0.00           H  
HETATM   58  H   UNL     1      15.960 -31.494  -4.916  1.00  0.00           H  
HETATM   59  H   UNL     1      17.235 -30.846  -3.939  1.00  0.00           H  
HETATM   60  H   UNL     1      22.071 -32.479  -6.600  1.00  0.00           H  
HETATM   61  H   UNL     1      21.137 -31.352  -5.559  1.00  0.00           H  
HETATM   62  H   UNL     1      22.417 -32.388  -4.840  1.00  0.00           H  
HETATM   63  H   UNL     1      21.006 -35.372  -5.284  1.00  0.00           H  
HETATM   64  H   UNL     1      20.555 -34.877  -9.471  1.00  0.00           H  
HETATM   65  H   UNL     1      19.548 -33.740  -8.512  1.00  0.00           H  
HETATM   66  H   UNL     1      21.315 -33.461  -8.668  1.00  0.00           H  
HETATM   67  H   UNL     1      21.013 -37.110  -8.003  1.00  0.00           H  
HETATM   68  H   UNL     1      21.875 -35.750  -9.676  1.00  0.00           H  
HETATM   69  H   UNL     1      22.228 -36.839  -5.775  1.00  0.00           H  
HETATM   70  H   UNL     1      24.479 -36.212  -7.766  1.00  0.00           H  
HETATM   71  H   UNL     1      23.873 -35.108  -6.485  1.00  0.00           H  
HETATM   72  H   UNL     1      21.928 -40.141  -7.483  1.00  0.00           H  
HETATM   73  H   UNL     1      21.350 -39.208  -6.060  1.00  0.00           H  
HETATM   74  H   UNL     1      20.839 -38.731  -7.715  1.00  0.00           H  
HETATM   75  H   UNL     1      25.140 -37.865  -6.069  1.00  0.00           H  
HETATM   76  H   UNL     1      24.899 -37.351  -3.635  1.00  0.00           H  
HETATM   77  H   UNL     1      23.996 -35.859  -4.066  1.00  0.00           H  
HETATM   78  H   UNL     1      23.325 -37.470  -4.492  1.00  0.00           H  
HETATM   79  H   UNL     1      27.017 -36.382  -6.512  1.00  0.00           H  
HETATM   80  H   UNL     1      26.944 -36.581  -4.728  1.00  0.00           H  
HETATM   81  H   UNL     1      27.564 -34.665  -9.504  1.00  0.00           H  
HETATM   82  H   UNL     1      27.934 -33.193  -8.543  1.00  0.00           H  
HETATM   83  H   UNL     1      28.360 -34.816  -7.900  1.00  0.00           H  
HETATM   84  H   UNL     1      23.901 -30.431  -5.414  1.00  0.00           H  
HETATM   85  H   UNL     1      28.117 -30.082  -4.615  1.00  0.00           H  
HETATM   86  H   UNL     1      23.686 -27.946  -5.288  1.00  0.00           H  
HETATM   87  H   UNL     1      25.675 -26.524  -4.820  1.00  0.00           H  
HETATM   88  H   UNL     1      27.896 -27.593  -4.537  1.00  0.00           H  
HETATM   89  H   UNL     1      26.681 -31.351  -2.500  1.00  0.00           H  
HETATM   90  H   UNL     1      19.814 -35.598  -7.314  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   34                                       
CONECT    3    2    4   40   40                                       
CONECT    4    3    5   89                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    9    9                                       
CONECT    8    7   47   48   49                                       
CONECT    9    7    7   10   50                                       
CONECT   10    9   11   11   51                                       
CONECT   11   10   10   12   52                                       
CONECT   12   11   13   15   53                                       
CONECT   13   12   14                                                 
CONECT   14   13   55   56   57                                       
CONECT   15   12   16   20   54                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   58   59                                            
CONECT   20   15   21   22   22                                       
CONECT   21   20   60   61   62                                       
CONECT   22   20   20   23   63                                       
CONECT   23   22   24   25   90                                       
CONECT   24   23   64   65   66                                       
CONECT   25   26   27   23   67                                       
CONECT   26   25   68                                                 
CONECT   27   25   28   30   69                                       
CONECT   28   27   29                                                 
CONECT   29   28   72   73   74                                       
CONECT   30   27   31   70   71                                       
CONECT   31   30   32   33   75                                       
CONECT   32   31   76   77   78                                       
CONECT   33   34   31   79   80                                       
CONECT   34    2   33   35   35                                       
CONECT   35   34   34   36   38                                       
CONECT   36   35   37                                                 
CONECT   37   36   81   82   83                                       
CONECT   38   35   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40    3    3   38   41                                       
CONECT   41   40   42   46   46                                       
CONECT   42   41   43   43   84                                       
CONECT   43   42   42   44   86                                       
CONECT   44   43   45   45   87                                       
CONECT   45   44   44   46   88                                       
CONECT   46   41   41   45   85                                       
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   42                                                      
CONECT   85   46                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
CONECT   89    4                                                      
CONECT   90   23                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
