COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.813  -3.671   0.620  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.425  -2.926   1.361  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.879  -3.378   2.547  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.663  -1.531   0.966  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.139  -1.060  -0.163  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.439  -1.994  -1.116  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.246   0.407  -0.489  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.976   1.126  -0.029  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.875   1.056   1.496  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.030   2.590  -0.470  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.105   3.250   0.201  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.710   3.278  -0.117  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.809   4.770  -0.441  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.592   2.663  -0.920  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.817   2.204  -2.014  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.195   2.621  -0.358  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.485   3.943  -0.657  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.432   1.486  -0.992  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.028   0.461  -0.250  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.417   0.383   1.204  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.199  -0.598  -0.847  1.00  0.00           C  
HETATM   22  C   UNL     1       0.205  -1.623  -0.105  1.00  0.00           C  
HETATM   23  C   UNL     1       1.054  -2.708  -0.717  1.00  0.00           C  
HETATM   24  C   UNL     1       2.339  -2.871   0.097  1.00  0.00           C  
HETATM   25  C   UNL     1       1.993  -3.371   1.501  1.00  0.00           C  
HETATM   26  C   UNL     1       3.241  -3.867  -0.584  1.00  0.00           C  
HETATM   27  C   UNL     1       4.488  -3.530  -0.896  1.00  0.00           C  
HETATM   28  C   UNL     1       5.426  -4.560  -1.471  1.00  0.00           C  
HETATM   29  C   UNL     1       4.953  -2.151  -0.680  1.00  0.00           C  
HETATM   30  C   UNL     1       6.164  -1.786  -1.088  1.00  0.00           C  
HETATM   31  C   UNL     1       6.640  -0.374  -0.867  1.00  0.00           C  
HETATM   32  O   UNL     1       6.935   0.232  -2.127  1.00  0.00           O  
HETATM   33  C   UNL     1       7.901  -0.390  -0.001  1.00  0.00           C  
HETATM   34  C   UNL     1       8.313   1.047   0.327  1.00  0.00           C  
HETATM   35  C   UNL     1       9.574   1.030   1.192  1.00  0.00           C  
HETATM   36  C   UNL     1       9.980   2.445   1.515  1.00  0.00           C  
HETATM   37  O   UNL     1       9.328   3.372   1.096  1.00  0.00           O  
HETATM   38  O   UNL     1      11.067   2.676   2.269  1.00  0.00           O  
HETATM   39  H   UNL     1      -7.694  -4.302   2.764  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.264  -0.888   1.592  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.402  -2.121  -0.804  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.940  -2.962  -1.111  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.467  -1.576  -2.122  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.365   0.533  -1.565  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.109   0.831   0.023  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.105   0.645  -0.473  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.702   1.610   1.941  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.921   0.015   1.816  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.930   1.494   1.818  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.189   2.639  -1.547  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.030   3.245   1.165  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.506   3.150   0.946  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.557   5.232   0.203  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.842   5.244  -0.273  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.099   4.896  -1.484  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.242   2.469   0.721  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.438   4.094  -1.735  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.037   4.763  -0.198  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.474   3.912  -0.250  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.215   1.506  -2.049  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.323  -0.214   1.306  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.610  -0.081   1.772  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.598   1.388   1.586  1.00  0.00           H  
HETATM   64  H   UNL     1       0.079  -0.542  -1.889  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.074  -1.679   0.937  1.00  0.00           H  
HETATM   66  H   UNL     1       0.500  -3.647  -0.714  1.00  0.00           H  
HETATM   67  H   UNL     1       1.305  -2.438  -1.743  1.00  0.00           H  
HETATM   68  H   UNL     1       2.848  -1.909   0.168  1.00  0.00           H  
HETATM   69  H   UNL     1       2.909  -3.487   2.080  1.00  0.00           H  
HETATM   70  H   UNL     1       1.341  -2.650   1.993  1.00  0.00           H  
HETATM   71  H   UNL     1       1.485  -4.332   1.429  1.00  0.00           H  
HETATM   72  H   UNL     1       2.875  -4.856  -0.818  1.00  0.00           H  
HETATM   73  H   UNL     1       5.347  -4.557  -2.558  1.00  0.00           H  
HETATM   74  H   UNL     1       6.449  -4.322  -1.180  1.00  0.00           H  
HETATM   75  H   UNL     1       5.161  -5.546  -1.090  1.00  0.00           H  
HETATM   76  H   UNL     1       4.309  -1.435  -0.191  1.00  0.00           H  
HETATM   77  H   UNL     1       6.807  -2.503  -1.577  1.00  0.00           H  
HETATM   78  H   UNL     1       5.860   0.198  -0.363  1.00  0.00           H  
HETATM   79  H   UNL     1       7.622  -0.225  -2.632  1.00  0.00           H  
HETATM   80  H   UNL     1       7.700  -0.930   0.924  1.00  0.00           H  
HETATM   81  H   UNL     1       8.707  -0.885  -0.543  1.00  0.00           H  
HETATM   82  H   UNL     1       8.514   1.587  -0.598  1.00  0.00           H  
HETATM   83  H   UNL     1       9.373   0.490   2.118  1.00  0.00           H  
HETATM   84  H   UNL     1      11.287   3.601   2.450  1.00  0.00           H  
HETATM   85  H   UNL     1       7.507   1.541   0.868  1.00  0.00           H  
HETATM   86  H   UNL     1      10.381   0.536   0.651  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   39                                                 
CONECT    4    5    5    2   40                                       
CONECT    5    6    7    4    4                                       
CONECT    6    5   41   42   43                                       
CONECT    7    8    5   44   45                                       
CONECT    8   10    9    7   46                                       
CONECT    9    8   47   48   49                                       
CONECT   10   12    8   11   50                                       
CONECT   11   10   51                                                 
CONECT   12   14   13   10   52                                       
CONECT   13   12   53   54   55                                       
CONECT   14   16   15   15   12                                       
CONECT   15   14   14                                                 
CONECT   16   17   18   14   56                                       
CONECT   17   16   57   58   59                                       
CONECT   18   19   19   16   60                                       
CONECT   19   21   18   18   20                                       
CONECT   20   19   61   62   63                                       
CONECT   21   22   22   19   64                                       
CONECT   22   23   21   21   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   26   25   68                                       
CONECT   25   24   69   70   71                                       
CONECT   26   27   27   24   72                                       
CONECT   27   28   26   26   29                                       
CONECT   28   27   73   74   75                                       
CONECT   29   27   30   30   76                                       
CONECT   30   29   29   31   77                                       
CONECT   31   32   30   33   78                                       
CONECT   32   31   79                                                 
CONECT   33   31   34   80   81                                       
CONECT   34   33   35   82   85                                       
CONECT   35   34   36   83   86                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   84                                                 
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   38                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
