COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.133  -0.418   0.486  1.00  0.00           O  
HETATM    2  C   UNL     1       0.389   0.767   0.493  1.00  0.00           C  
HETATM    3  C   UNL     1       1.813   1.232   0.329  1.00  0.00           C  
HETATM    4  C   UNL     1       1.921   2.117  -0.914  1.00  0.00           C  
HETATM    5  C   UNL     1       3.336   2.690  -1.012  1.00  0.00           C  
HETATM    6  C   UNL     1       3.481   3.472  -2.319  1.00  0.00           C  
HETATM    7  C   UNL     1       4.896   4.045  -2.416  1.00  0.00           C  
HETATM    8  C   UNL     1       5.150   4.979  -1.232  1.00  0.00           C  
HETATM    9  C   UNL     1       5.005   4.197   0.075  1.00  0.00           C  
HETATM   10  C   UNL     1       3.590   3.624   0.173  1.00  0.00           C  
HETATM   11  N   UNL     1       2.692   0.070   0.180  1.00  0.00           N  
HETATM   12  C   UNL     1       3.994   0.162   0.517  1.00  0.00           C  
HETATM   13  C   UNL     1       4.876  -1.004   0.367  1.00  0.00           C  
HETATM   14  C   UNL     1       6.198  -1.029   0.678  1.00  0.00           C  
HETATM   15  C   UNL     1       6.661  -2.381   0.370  1.00  0.00           C  
HETATM   16  C   UNL     1       7.892  -3.034   0.464  1.00  0.00           C  
HETATM   17  C   UNL     1       7.996  -4.342   0.083  1.00  0.00           C  
HETATM   18  C   UNL     1       6.887  -5.025  -0.397  1.00  0.00           C  
HETATM   19  C   UNL     1       5.663  -4.399  -0.498  1.00  0.00           C  
HETATM   20  C   UNL     1       5.533  -3.069  -0.116  1.00  0.00           C  
HETATM   21  O   UNL     1       4.493  -2.213  -0.096  1.00  0.00           O  
HETATM   22  O   UNL     1       4.439   1.211   0.945  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.602   1.669   0.642  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.997   1.224   0.685  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.391   0.918   2.131  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.751   0.218   2.152  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.234   0.087   3.599  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.448  -0.849   3.622  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.984  -2.260   3.258  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.198  -2.238   2.031  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.620  -1.145   1.534  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.955  -1.255   0.526  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.901   2.328   0.133  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.928   3.424   1.049  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.297   1.790  -0.049  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.518   0.755  -0.883  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.875   0.232  -1.059  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.848  -0.914  -2.037  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.658  -2.206  -1.582  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.634  -3.258  -2.479  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.799  -3.018  -3.830  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.989  -1.726  -4.285  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.020  -0.675  -3.388  1.00  0.00           C  
HETATM   44  O   UNL     1      -5.223   2.289   0.557  1.00  0.00           O  
HETATM   45  H   UNL     1       2.112   1.804   1.208  1.00  0.00           H  
HETATM   46  H   UNL     1       1.707   1.522  -1.803  1.00  0.00           H  
HETATM   47  H   UNL     1       1.202   2.934  -0.843  1.00  0.00           H  
HETATM   48  H   UNL     1       4.060   1.875  -0.994  1.00  0.00           H  
HETATM   49  H   UNL     1       3.299   2.806  -3.162  1.00  0.00           H  
HETATM   50  H   UNL     1       2.757   4.287  -2.337  1.00  0.00           H  
HETATM   51  H   UNL     1       5.620   3.230  -2.398  1.00  0.00           H  
HETATM   52  H   UNL     1       4.999   4.602  -3.347  1.00  0.00           H  
HETATM   53  H   UNL     1       6.159   5.388  -1.301  1.00  0.00           H  
HETATM   54  H   UNL     1       4.426   5.794  -1.250  1.00  0.00           H  
HETATM   55  H   UNL     1       5.729   3.383   0.094  1.00  0.00           H  
HETATM   56  H   UNL     1       5.187   4.863   0.919  1.00  0.00           H  
HETATM   57  H   UNL     1       2.866   4.439   0.155  1.00  0.00           H  
HETATM   58  H   UNL     1       3.487   3.067   1.104  1.00  0.00           H  
HETATM   59  H   UNL     1       2.337  -0.766  -0.161  1.00  0.00           H  
HETATM   60  H   UNL     1       6.787  -0.215   1.072  1.00  0.00           H  
HETATM   61  H   UNL     1       8.758  -2.507   0.836  1.00  0.00           H  
HETATM   62  H   UNL     1       8.947  -4.848   0.155  1.00  0.00           H  
HETATM   63  H   UNL     1       6.984  -6.059  -0.695  1.00  0.00           H  
HETATM   64  H   UNL     1       4.807  -4.941  -0.872  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.391   2.612   0.721  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.110   0.325   0.079  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.641   0.268   2.582  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.453   1.848   2.696  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.470   0.806   1.582  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.437  -0.329   4.215  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.519   1.068   3.980  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.886  -0.855   4.620  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.187  -0.508   2.897  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.376  -2.660   4.069  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.855  -2.900   3.116  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.087  -3.071   1.546  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.515   2.668  -0.828  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.262   3.195   1.927  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.777   0.356  -1.367  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.257  -0.117  -0.100  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.521   1.022  -1.442  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.529  -2.393  -0.527  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.485  -4.267  -2.124  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.779  -3.839  -4.531  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.118  -1.539  -5.341  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.168   0.334  -3.743  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   23    1    1    3                                       
CONECT    3    2   11    4   45                                       
CONECT    4    3    5   46   47                                       
CONECT    5    4    6   10   48                                       
CONECT    6    5    7   49   50                                       
CONECT    7    6    8   51   52                                       
CONECT    8    7    9   53   54                                       
CONECT    9   10    8   55   56                                       
CONECT   10    5    9   57   58                                       
CONECT   11   12    3   59                                            
CONECT   12   22   22   13   11                                       
CONECT   13   14   14   12   21                                       
CONECT   14   15   13   13   60                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   61                                       
CONECT   17   16   18   18   62                                       
CONECT   18   17   17   19   63                                       
CONECT   19   20   20   18   64                                       
CONECT   20   15   21   19   19                                       
CONECT   21   13   20                                                 
CONECT   22   12   12                                                 
CONECT   23   24    2   65                                            
CONECT   24   25   33   23   66                                       
CONECT   25   26   24   67   68                                       
CONECT   26   27   31   25   69                                       
CONECT   27   28   26   70   71                                       
CONECT   28   29   27   72   73                                       
CONECT   29   28   30   74   75                                       
CONECT   30   29   31   76                                            
CONECT   31   30   26   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   35   24   34   77                                       
CONECT   34   33   78                                                 
CONECT   35   36   44   44   33                                       
CONECT   36   37   35   79                                            
CONECT   37   38   36   80   81                                       
CONECT   38   39   39   43   37                                       
CONECT   39   40   38   38   82                                       
CONECT   40   41   41   39   83                                       
CONECT   41   40   40   42   84                                       
CONECT   42   41   43   43   85                                       
CONECT   43   42   42   38   86                                       
CONECT   44   35   35                                                 
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
