COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.834   0.769  -0.432  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.747   0.528   0.465  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.138   0.872   0.363  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.024   1.912   1.336  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.405  -0.461   1.068  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.657  -0.398   1.752  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.448  -1.579   0.022  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.625  -2.838   0.675  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.131  -1.588  -0.760  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.930  -0.309  -1.365  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.190  -2.663  -1.847  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.922  -2.751  -2.499  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.899  -2.401   1.332  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.213   3.674  -0.521  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.959   2.945  -0.847  1.00  0.00           O  
HETATM   16  C   UNL     1       5.410   0.355  -0.261  1.00  0.00           C  
HETATM   17  C   UNL     1       4.052   0.189   0.426  1.00  0.00           C  
HETATM   18  C   UNL     1       6.476  -0.412   0.525  1.00  0.00           C  
HETATM   19  C   UNL     1      13.082  -0.077   0.029  1.00  0.00           C  
HETATM   20  C   UNL     1       2.986   0.955  -0.360  1.00  0.00           C  
HETATM   21  C   UNL     1       7.833  -0.245  -0.161  1.00  0.00           C  
HETATM   22  C   UNL     1      12.655  -1.545  -0.036  1.00  0.00           C  
HETATM   23  C   UNL     1      12.041   0.789  -0.683  1.00  0.00           C  
HETATM   24  C   UNL     1       1.629   0.789   0.326  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.801  -1.628   0.537  1.00  0.00           C  
HETATM   26  C   UNL     1       8.899  -1.012   0.624  1.00  0.00           C  
HETATM   27  C   UNL     1      11.297  -1.711   0.650  1.00  0.00           C  
HETATM   28  C   UNL     1      10.684   0.623   0.003  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.134   0.061   0.082  1.00  0.00           O  
HETATM   30  O   UNL     1       0.633   1.505  -0.407  1.00  0.00           O  
HETATM   31  C   UNL     1      10.256  -0.845  -0.062  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.432  -0.147   0.641  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.633   2.314  -0.637  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.048   2.165  -0.070  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.678   1.414   0.152  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.457   0.690  -0.128  1.00  0.00           C  
HETATM   37  H   UNL     1      -5.661   1.701  -0.970  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.961   1.097  -0.316  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.850   2.786   0.959  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.607  -0.661   1.784  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.703   0.294   2.426  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.277  -1.405  -0.664  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.439  -2.901   1.193  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.307  -1.803  -0.080  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.433  -3.625  -1.394  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.957  -2.401  -2.576  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.886  -3.414  -3.202  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.074  -3.352   1.313  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.324   3.842  -0.862  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.756   3.890  -0.860  1.00  0.00           H  
HETATM   51  H   UNL     1       5.354  -0.037  -1.276  1.00  0.00           H  
HETATM   52  H   UNL     1       5.673   1.412  -0.293  1.00  0.00           H  
HETATM   53  H   UNL     1       3.789  -0.869   0.458  1.00  0.00           H  
HETATM   54  H   UNL     1       4.108   0.581   1.441  1.00  0.00           H  
HETATM   55  H   UNL     1       6.531  -0.020   1.540  1.00  0.00           H  
HETATM   56  H   UNL     1       6.212  -1.469   0.558  1.00  0.00           H  
HETATM   57  H   UNL     1      13.161   0.233   1.071  1.00  0.00           H  
HETATM   58  H   UNL     1      14.049   0.042  -0.460  1.00  0.00           H  
HETATM   59  H   UNL     1       3.250   2.013  -0.393  1.00  0.00           H  
HETATM   60  H   UNL     1       2.931   0.563  -1.375  1.00  0.00           H  
HETATM   61  H   UNL     1       7.778  -0.637  -1.176  1.00  0.00           H  
HETATM   62  H   UNL     1       8.096   0.812  -0.194  1.00  0.00           H  
HETATM   63  H   UNL     1      12.576  -1.854  -1.077  1.00  0.00           H  
HETATM   64  H   UNL     1      13.396  -2.162   0.472  1.00  0.00           H  
HETATM   65  H   UNL     1      12.345   1.835  -0.637  1.00  0.00           H  
HETATM   66  H   UNL     1      11.962   0.479  -1.725  1.00  0.00           H  
HETATM   67  H   UNL     1       1.366  -0.269   0.359  1.00  0.00           H  
HETATM   68  H   UNL     1       1.684   1.181   1.342  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.733  -1.947  -0.503  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.819  -1.775   0.896  1.00  0.00           H  
HETATM   71  H   UNL     1       8.954  -0.620   1.640  1.00  0.00           H  
HETATM   72  H   UNL     1       8.636  -2.069   0.657  1.00  0.00           H  
HETATM   73  H   UNL     1      10.993  -2.757   0.604  1.00  0.00           H  
HETATM   74  H   UNL     1      11.376  -1.401   1.692  1.00  0.00           H  
HETATM   75  H   UNL     1      10.762   0.932   1.045  1.00  0.00           H  
HETATM   76  H   UNL     1       9.942   1.240  -0.504  1.00  0.00           H  
HETATM   77  H   UNL     1      10.177  -1.155  -1.104  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.430   0.154   1.689  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.629   2.019  -1.687  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.065   2.508   0.964  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.653   1.736   1.193  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.491   0.362  -1.167  1.00  0.00           H  
CONECT    1   10    2    3   37                                       
CONECT    2    1   36                                                 
CONECT    3    1    5    4   38                                       
CONECT    4    3   39                                                 
CONECT    5    3    7    6   40                                       
CONECT    6    5   41                                                 
CONECT    7    5    9    8   42                                       
CONECT    8    7   43                                                 
CONECT    9    7   11   10   44                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   45   46                                       
CONECT   12   11   47                                                 
CONECT   13   25   48                                                 
CONECT   14   33   49                                                 
CONECT   15   34   50                                                 
CONECT   16   18   17   51   52                                       
CONECT   17   16   20   53   54                                       
CONECT   18   16   21   55   56                                       
CONECT   19   23   22   57   58                                       
CONECT   20   17   24   59   60                                       
CONECT   21   18   26   61   62                                       
CONECT   22   19   27   63   64                                       
CONECT   23   19   28   65   66                                       
CONECT   24   20   30   67   68                                       
CONECT   25   13   32   69   70                                       
CONECT   26   21   31   71   72                                       
CONECT   27   22   31   73   74                                       
CONECT   28   23   31   75   76                                       
CONECT   29   35   32                                                 
CONECT   30   24   35                                                 
CONECT   31   26   27   28   77                                       
CONECT   32   25   29   36   78                                       
CONECT   33   14   34   35   79                                       
CONECT   34   15   33   36   80                                       
CONECT   35   29   30   33   81                                       
CONECT   36    2   32   34   82                                       
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
