COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.283   0.507   0.575  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.694  -0.183   1.653  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.688  -0.732   2.631  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.084  -0.391   1.865  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.010   0.174   0.869  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.396   0.021   0.992  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.342  -0.772   2.102  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.229   0.568   0.034  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.694   1.265  -1.044  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.926   1.602  -1.789  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.320   1.420  -1.174  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.468   0.877  -0.221  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.803   0.713   0.372  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.259  -0.373  -0.557  1.00  0.00           C  
HETATM   15  C   UNL     1       1.243  -0.164  -0.762  1.00  0.00           C  
HETATM   16  C   UNL     1       1.811  -1.319  -1.588  1.00  0.00           C  
HETATM   17  C   UNL     1       3.325  -1.148  -1.731  1.00  0.00           C  
HETATM   18  C   UNL     1       3.983  -1.263  -0.354  1.00  0.00           C  
HETATM   19  C   UNL     1       5.450  -0.937  -0.470  1.00  0.00           C  
HETATM   20  C   UNL     1       5.962   0.081   0.222  1.00  0.00           C  
HETATM   21  C   UNL     1       7.388   0.398   0.110  1.00  0.00           C  
HETATM   22  C   UNL     1       7.907   1.428   0.810  1.00  0.00           C  
HETATM   23  C   UNL     1       9.332   1.745   0.698  1.00  0.00           C  
HETATM   24  C   UNL     1       9.845   2.762   1.390  1.00  0.00           C  
HETATM   25  C   UNL     1      11.312   3.089   1.274  1.00  0.00           C  
HETATM   26  C   UNL     1       1.477   1.155  -1.501  1.00  0.00           C  
HETATM   27  C   UNL     1       0.995  -3.564  -1.792  1.00  0.00           C  
HETATM   28  C   UNL     1       3.876  -2.237  -2.653  1.00  0.00           C  
HETATM   29  C   UNL     1       3.114  -2.682   1.372  1.00  0.00           C  
HETATM   30  C   UNL     1      10.219   0.922  -0.200  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.129   1.012  -0.329  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.493  -1.012   2.832  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.919  -0.659   2.045  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.523   1.797  -1.979  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.810   2.105  -2.234  1.00  0.00           O  
HETATM   36  O   UNL     1       1.531  -2.557  -0.931  1.00  0.00           O  
HETATM   37  O   UNL     1       3.829  -2.596   0.137  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.494   0.009   3.406  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.082  -1.640   3.086  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.760  -0.961   2.107  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.626  -1.337   2.990  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.784   0.223   2.148  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.701  -1.289   1.212  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.300   0.454   0.123  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.146   0.535  -1.776  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.229   2.047  -0.841  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.472   2.076  -2.604  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.631   1.693  -0.074  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.294   0.658   1.334  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.431  -1.353  -0.110  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.768  -0.318  -1.519  1.00  0.00           H  
HETATM   52  H   UNL     1       1.741  -0.131   0.207  1.00  0.00           H  
HETATM   53  H   UNL     1       1.351  -1.320  -2.576  1.00  0.00           H  
HETATM   54  H   UNL     1       3.541  -0.168  -2.156  1.00  0.00           H  
HETATM   55  H   UNL     1       3.508  -0.565   0.335  1.00  0.00           H  
HETATM   56  H   UNL     1       6.085  -1.527  -1.113  1.00  0.00           H  
HETATM   57  H   UNL     1       5.327   0.671   0.865  1.00  0.00           H  
HETATM   58  H   UNL     1       8.023  -0.192  -0.534  1.00  0.00           H  
HETATM   59  H   UNL     1       7.271   2.018   1.453  1.00  0.00           H  
HETATM   60  H   UNL     1       9.210   3.353   2.033  1.00  0.00           H  
HETATM   61  H   UNL     1      11.544   3.945   1.908  1.00  0.00           H  
HETATM   62  H   UNL     1      11.902   2.230   1.593  1.00  0.00           H  
HETATM   63  H   UNL     1      11.550   3.329   0.238  1.00  0.00           H  
HETATM   64  H   UNL     1       0.957   1.133  -2.458  1.00  0.00           H  
HETATM   65  H   UNL     1       1.096   1.981  -0.900  1.00  0.00           H  
HETATM   66  H   UNL     1       2.545   1.292  -1.671  1.00  0.00           H  
HETATM   67  H   UNL     1       0.740  -4.446  -1.205  1.00  0.00           H  
HETATM   68  H   UNL     1       0.100  -3.183  -2.283  1.00  0.00           H  
HETATM   69  H   UNL     1       1.737  -3.831  -2.545  1.00  0.00           H  
HETATM   70  H   UNL     1       3.682  -3.216  -2.215  1.00  0.00           H  
HETATM   71  H   UNL     1       3.390  -2.170  -3.626  1.00  0.00           H  
HETATM   72  H   UNL     1       4.951  -2.101  -2.774  1.00  0.00           H  
HETATM   73  H   UNL     1       3.621  -2.081   2.127  1.00  0.00           H  
HETATM   74  H   UNL     1       2.100  -2.309   1.231  1.00  0.00           H  
HETATM   75  H   UNL     1       3.077  -3.721   1.699  1.00  0.00           H  
HETATM   76  H   UNL     1      10.230   1.357  -1.199  1.00  0.00           H  
HETATM   77  H   UNL     1      11.232   0.909   0.202  1.00  0.00           H  
HETATM   78  H   UNL     1       9.837  -0.098  -0.253  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.703   3.053  -2.076  1.00  0.00           H  
CONECT    1   31   13    2    2                                       
CONECT    2    1    1    4    3                                       
CONECT    3    2   38   39   40                                       
CONECT    4    5    2   32   32                                       
CONECT    5   12   12    6    4                                       
CONECT    6    8    8    5   33                                       
CONECT    7   33   41   42   43                                       
CONECT    8    9    6    6   44                                       
CONECT    9   34   11   11    8                                       
CONECT   10   34   45   46   47                                       
CONECT   11   35    9    9   12                                       
CONECT   12   11   31    5    5                                       
CONECT   13    1   14   48   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   26   14   16   52                                       
CONECT   16   15   17   36   53                                       
CONECT   17   28   16   18   54                                       
CONECT   18   17   37   19   55                                       
CONECT   19   18   20   20   56                                       
CONECT   20   19   19   21   57                                       
CONECT   21   20   22   22   58                                       
CONECT   22   21   21   23   59                                       
CONECT   23   22   24   24   30                                       
CONECT   24   23   23   25   60                                       
CONECT   25   24   61   62   63                                       
CONECT   26   15   64   65   66                                       
CONECT   27   36   67   68   69                                       
CONECT   28   17   70   71   72                                       
CONECT   29   37   73   74   75                                       
CONECT   30   23   76   77   78                                       
CONECT   31   12    1                                                 
CONECT   32    4    4                                                 
CONECT   33    6    7                                                 
CONECT   34   10    9                                                 
CONECT   35   11   79                                                 
CONECT   36   16   27                                                 
CONECT   37   29   18                                                 
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   35                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
