COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.492  -2.563   0.069  1.00  0.00           C  
HETATM    2  O   UNL     1       3.470  -2.393   1.053  1.00  0.00           O  
HETATM    3  C   UNL     1       3.202  -1.030   1.386  1.00  0.00           C  
HETATM    4  C   UNL     1       1.517  -0.691  -0.285  1.00  0.00           C  
HETATM    5  C   UNL     1       1.664  -1.844  -1.283  1.00  0.00           C  
HETATM    6  C   UNL     1       0.436  -3.294  -2.907  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.468   0.075  -1.589  1.00  0.00           C  
HETATM    8  C   UNL     1       0.725   2.869  -0.631  1.00  0.00           C  
HETATM    9  C   UNL     1       0.739   3.917   0.486  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.563   3.817   1.286  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.750   3.998   0.333  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.668   2.947  -0.777  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.816   3.159  -1.766  1.00  0.00           C  
HETATM   14  C   UNL     1       0.876   0.505  -0.995  1.00  0.00           C  
HETATM   15  C   UNL     1       0.289  -2.183  -1.865  1.00  0.00           C  
HETATM   16  C   UNL     1       4.672  -4.054  -0.227  1.00  0.00           C  
HETATM   17  C   UNL     1       5.808  -1.985   0.596  1.00  0.00           C  
HETATM   18  C   UNL     1       5.603  -0.508   0.947  1.00  0.00           C  
HETATM   19  C   UNL     1       4.465  -0.390   1.966  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.671  -0.642  -0.973  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.520  -1.057   0.231  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.937  -1.395  -0.237  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.786  -1.809   0.967  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.203  -2.147   0.499  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.052  -2.562   1.703  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.469  -2.900   1.235  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.318  -3.315   2.439  1.00  0.00           C  
HETATM   28  O   UNL     1       1.850   3.678   1.351  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.590   4.838   2.285  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.705   5.305  -0.242  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.420   3.075  -1.461  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.809   2.110  -2.736  1.00  0.00           O  
HETATM   33  O   UNL     1       0.668   1.562  -0.056  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.347  -0.326  -0.536  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.264  -1.020  -2.484  1.00  0.00           O  
HETATM   36  O   UNL     1       2.546  -1.454  -2.337  1.00  0.00           O  
HETATM   37  O   UNL     1       2.805  -0.321   0.210  1.00  0.00           O  
HETATM   38  O   UNL     1       6.817  -2.102  -0.409  1.00  0.00           O  
HETATM   39  O   UNL     1       6.806   0.022   1.506  1.00  0.00           O  
HETATM   40  O   UNL     1       4.832  -1.064   3.171  1.00  0.00           O  
HETATM   41  H   UNL     1       4.206  -2.043  -0.845  1.00  0.00           H  
HETATM   42  H   UNL     1       2.401  -0.987   2.124  1.00  0.00           H  
HETATM   43  H   UNL     1       0.884  -1.005   0.544  1.00  0.00           H  
HETATM   44  H   UNL     1       2.069  -2.718  -0.773  1.00  0.00           H  
HETATM   45  H   UNL     1       0.859  -4.181  -2.436  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.543  -3.535  -3.322  1.00  0.00           H  
HETATM   47  H   UNL     1       1.096  -2.957  -3.707  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.910   0.911  -2.132  1.00  0.00           H  
HETATM   49  H   UNL     1       1.630   2.964  -1.230  1.00  0.00           H  
HETATM   50  H   UNL     1       0.825   4.912   0.050  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.625   2.839   1.762  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.682   3.874   0.885  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.743   1.951  -0.341  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.764   3.151  -1.229  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.691   4.119  -2.267  1.00  0.00           H  
HETATM   56  H   UNL     1       1.533   0.850  -1.793  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.371  -2.520  -1.066  1.00  0.00           H  
HETATM   58  H   UNL     1       3.735  -4.466  -0.602  1.00  0.00           H  
HETATM   59  H   UNL     1       5.452  -4.183  -0.978  1.00  0.00           H  
HETATM   60  H   UNL     1       4.958  -4.574   0.687  1.00  0.00           H  
HETATM   61  H   UNL     1       6.115  -2.533   1.487  1.00  0.00           H  
HETATM   62  H   UNL     1       5.344   0.048   0.046  1.00  0.00           H  
HETATM   63  H   UNL     1       4.276   0.662   2.180  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.631  -1.462  -1.689  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.116   0.233  -1.446  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.075  -1.932   0.704  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.559  -0.237   0.947  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.381  -0.519  -0.710  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.897  -2.215  -0.953  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.341  -2.685   1.440  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.825  -0.989   1.684  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.647  -1.272   0.025  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.163  -2.967  -0.218  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.607  -3.437   2.176  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.091  -1.742   2.419  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.913  -2.025   0.761  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.429  -3.720   0.518  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.873  -4.190   2.912  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.357  -2.495   3.155  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.327  -3.555   2.105  1.00  0.00           H  
HETATM   81  H   UNL     1       2.710   3.720   0.909  1.00  0.00           H  
HETATM   82  H   UNL     1       0.138   4.787   2.919  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.748   6.022   0.406  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.511   2.180  -3.397  1.00  0.00           H  
HETATM   85  H   UNL     1       2.685  -2.138  -3.007  1.00  0.00           H  
HETATM   86  H   UNL     1       6.996  -3.012  -0.683  1.00  0.00           H  
HETATM   87  H   UNL     1       6.748   0.955   1.752  1.00  0.00           H  
HETATM   88  H   UNL     1       4.155  -1.034   3.861  1.00  0.00           H  
CONECT    1    2   17   16   41                                       
CONECT    2    3    1                                                 
CONECT    3   19   37    2   42                                       
CONECT    4   14   37    5   43                                       
CONECT    5    4   36   15   44                                       
CONECT    6   15   45   46   47                                       
CONECT    7   14   34   35   48                                       
CONECT    8    9   31   33   49                                       
CONECT    9   10   28    8   50                                       
CONECT   10   29   11    9   51                                       
CONECT   11   30   10   12   52                                       
CONECT   12   11   13   31   53                                       
CONECT   13   12   32   54   55                                       
CONECT   14   33    7    4   56                                       
CONECT   15   35    5    6   57                                       
CONECT   16    1   58   59   60                                       
CONECT   17   18    1   38   61                                       
CONECT   18   19   39   17   62                                       
CONECT   19   40    3   18   63                                       
CONECT   20   34   21   64   65                                       
CONECT   21   20   22   66   67                                       
CONECT   22   21   23   68   69                                       
CONECT   23   22   24   70   71                                       
CONECT   24   23   25   72   73                                       
CONECT   25   24   26   74   75                                       
CONECT   26   25   27   76   77                                       
CONECT   27   26   78   79   80                                       
CONECT   28    9   81                                                 
CONECT   29   10   82                                                 
CONECT   30   11   83                                                 
CONECT   31   12    8                                                 
CONECT   32   13   84                                                 
CONECT   33    8   14                                                 
CONECT   34    7   20                                                 
CONECT   35    7   15                                                 
CONECT   36    5   85                                                 
CONECT   37    3    4                                                 
CONECT   38   17   86                                                 
CONECT   39   18   87                                                 
CONECT   40   19   88                                                 
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   32                                                      
CONECT   85   36                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
