COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.760   0.491   1.610  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.728   1.597   1.843  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.382   1.667   3.332  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.056   0.387   0.111  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.262   0.860  -0.206  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.990   1.506   0.974  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.250   0.701   1.299  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.860  -0.733   1.663  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.132  -1.379   0.483  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.872  -0.574   0.158  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.143  -1.220  -1.022  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.813  -0.501  -1.256  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.147  -1.065  -2.485  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.718  -0.909  -3.689  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.099  -1.657  -2.386  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.963  -0.692  -0.123  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.746   0.128  -0.640  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.999   0.101  -2.046  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.240  -0.754   2.082  1.00  0.00           O  
HETATM   20  O   UNL     1       0.491   2.774   3.567  1.00  0.00           O  
HETATM   21  O   UNL     1       0.454   1.311   1.093  1.00  0.00           O  
HETATM   22  C   UNL     1       0.247   1.248  -0.320  1.00  0.00           C  
HETATM   23  O   UNL     1       1.490   0.984  -0.973  1.00  0.00           O  
HETATM   24  C   UNL     1       2.454   2.029  -0.831  1.00  0.00           C  
HETATM   25  C   UNL     1       2.300   3.024  -1.982  1.00  0.00           C  
HETATM   26  C   UNL     1       3.333   4.143  -1.831  1.00  0.00           C  
HETATM   27  C   UNL     1       4.741   3.545  -1.859  1.00  0.00           C  
HETATM   28  C   UNL     1       4.895   2.549  -0.708  1.00  0.00           C  
HETATM   29  C   UNL     1       3.862   1.431  -0.859  1.00  0.00           C  
HETATM   30  O   UNL     1       4.006   0.501   0.216  1.00  0.00           O  
HETATM   31  C   UNL     1       4.916  -0.567  -0.057  1.00  0.00           C  
HETATM   32  O   UNL     1       4.400  -1.373  -1.118  1.00  0.00           O  
HETATM   33  C   UNL     1       3.118  -1.943  -0.847  1.00  0.00           C  
HETATM   34  C   UNL     1       2.656  -2.758  -2.057  1.00  0.00           C  
HETATM   35  C   UNL     1       3.216  -2.858   0.377  1.00  0.00           C  
HETATM   36  O   UNL     1       4.116  -3.932   0.099  1.00  0.00           O  
HETATM   37  C   UNL     1       3.736  -2.049   1.569  1.00  0.00           C  
HETATM   38  O   UNL     1       3.901  -2.911   2.697  1.00  0.00           O  
HETATM   39  C   UNL     1       5.087  -1.426   1.199  1.00  0.00           C  
HETATM   40  O   UNL     1       5.547  -0.610   2.278  1.00  0.00           O  
HETATM   41  H   UNL     1      -2.678   0.730   2.147  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.141   2.553   1.521  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.296   1.796   3.912  1.00  0.00           H  
HETATM   44  H   UNL     1       0.112   0.744   3.634  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.499   1.319  -0.239  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.919   0.848  -1.076  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.364   1.433  -0.437  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.333   1.518   1.844  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.268   2.527   0.715  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.769   1.161   2.139  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.907   0.689   0.429  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.203  -0.720   2.533  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.757  -1.306   1.894  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.854  -2.400   0.742  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.789  -1.391  -0.387  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.214  -0.562   1.028  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.955  -2.271  -0.802  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.761  -1.142  -1.917  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.996   0.564  -1.398  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.254  -1.288  -4.448  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.329  -0.829  -0.325  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.212  -0.059  -2.584  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.030  -0.760   3.026  1.00  0.00           H  
HETATM   64  H   UNL     1       0.752   2.879   4.492  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.153   2.199  -0.671  1.00  0.00           H  
HETATM   66  H   UNL     1       2.297   2.543   0.117  1.00  0.00           H  
HETATM   67  H   UNL     1       2.458   2.510  -2.931  1.00  0.00           H  
HETATM   68  H   UNL     1       1.297   3.451  -1.962  1.00  0.00           H  
HETATM   69  H   UNL     1       3.223   4.853  -2.651  1.00  0.00           H  
HETATM   70  H   UNL     1       3.175   4.657  -0.883  1.00  0.00           H  
HETATM   71  H   UNL     1       4.898   3.031  -2.807  1.00  0.00           H  
HETATM   72  H   UNL     1       5.476   4.342  -1.751  1.00  0.00           H  
HETATM   73  H   UNL     1       5.898   2.123  -0.728  1.00  0.00           H  
HETATM   74  H   UNL     1       4.737   3.063   0.241  1.00  0.00           H  
HETATM   75  H   UNL     1       4.020   0.917  -1.807  1.00  0.00           H  
HETATM   76  H   UNL     1       5.882  -0.156  -0.349  1.00  0.00           H  
HETATM   77  H   UNL     1       2.401  -1.147  -0.649  1.00  0.00           H  
HETATM   78  H   UNL     1       3.374  -3.554  -2.255  1.00  0.00           H  
HETATM   79  H   UNL     1       1.678  -3.192  -1.851  1.00  0.00           H  
HETATM   80  H   UNL     1       2.588  -2.106  -2.929  1.00  0.00           H  
HETATM   81  H   UNL     1       2.230  -3.259   0.611  1.00  0.00           H  
HETATM   82  H   UNL     1       3.851  -4.485  -0.649  1.00  0.00           H  
HETATM   83  H   UNL     1       3.025  -1.260   1.812  1.00  0.00           H  
HETATM   84  H   UNL     1       4.228  -2.464   3.489  1.00  0.00           H  
HETATM   85  H   UNL     1       5.811  -2.217   1.004  1.00  0.00           H  
HETATM   86  H   UNL     1       6.399  -0.183   2.112  1.00  0.00           H  
CONECT    1   19    4    2   41                                       
CONECT    2    1    3   21   42                                       
CONECT    3   20    2   43   44                                       
CONECT    4   16    1   17   45                                       
CONECT    5    6   10   46   47                                       
CONECT    6    5    7   48   49                                       
CONECT    7    6    8   50   51                                       
CONECT    8    7    9   52   53                                       
CONECT    9   10    8   54   55                                       
CONECT   10    5   11    9   56                                       
CONECT   11   12   10   57   58                                       
CONECT   12   13   16   11   59                                       
CONECT   13   15   15   14   12                                       
CONECT   14   13   60                                                 
CONECT   15   13   13                                                 
CONECT   16   12    4                                                 
CONECT   17    4   22   18   61                                       
CONECT   18   17   62                                                 
CONECT   19    1   63                                                 
CONECT   20    3   64                                                 
CONECT   21    2   22                                                 
CONECT   22   21   17   23   65                                       
CONECT   23   22   24                                                 
CONECT   24   23   29   25   66                                       
CONECT   25   24   26   67   68                                       
CONECT   26   25   27   69   70                                       
CONECT   27   28   26   71   72                                       
CONECT   28   29   27   73   74                                       
CONECT   29   30   24   28   75                                       
CONECT   30   31   29                                                 
CONECT   31   32   39   30   76                                       
CONECT   32   33   31                                                 
CONECT   33   34   35   32   77                                       
CONECT   34   33   78   79   80                                       
CONECT   35   36   33   37   81                                       
CONECT   36   35   82                                                 
CONECT   37   35   38   39   83                                       
CONECT   38   37   84                                                 
CONECT   39   37   31   40   85                                       
CONECT   40   39   86                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
