COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.612   2.043   0.390  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.271   1.242  -0.608  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.516   2.123  -1.810  1.00  0.00           C  
HETATM    4  C   UNL     1       0.583   1.128   1.616  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.906   0.685   1.679  1.00  0.00           C  
HETATM    6  C   UNL     1       0.482  -0.016  -1.048  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.498  -0.620   0.144  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.676  -2.984  -0.227  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.329  -5.458  -0.205  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.476   0.366  -0.498  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.647   0.857   0.356  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.670   2.323   0.389  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.488   1.081   0.747  1.00  0.00           C  
HETATM   14  C   UNL     1       4.341   1.966  -0.472  1.00  0.00           C  
HETATM   15  C   UNL     1       0.827   2.295  -2.541  1.00  0.00           C  
HETATM   16  C   UNL     1       3.077   1.773   0.241  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.023  -0.510  -0.249  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.238  -1.656   0.393  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.891  -4.130   0.415  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.636  -6.613   0.522  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.846  -5.608  -0.070  1.00  0.00           C  
HETATM   22  C   UNL     1       1.887   2.922  -1.638  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.441   1.907  -0.423  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.530   3.278  -0.441  1.00  0.00           C  
HETATM   25  C   UNL     1       5.495   1.521   0.068  1.00  0.00           C  
HETATM   26  C   UNL     1       1.937   2.213  -0.292  1.00  0.00           C  
HETATM   27  C   UNL     1       6.824   1.702  -0.638  1.00  0.00           C  
HETATM   28  C   UNL     1       7.580   0.370  -0.592  1.00  0.00           C  
HETATM   29  C   UNL     1       7.765  -0.070   0.861  1.00  0.00           C  
HETATM   30  C   UNL     1       6.403  -0.395   1.482  1.00  0.00           C  
HETATM   31  C   UNL     1       5.524   0.840   1.379  1.00  0.00           C  
HETATM   32  C   UNL     1       4.814   1.286   2.414  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.480  -1.102  -0.925  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.464   0.828   0.239  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.969  -5.481  -1.587  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.250   2.978   1.587  1.00  0.00           O  
HETATM   37  O   UNL     1       5.799  -1.481   0.777  1.00  0.00           O  
HETATM   38  O   UNL     1       8.860   0.529  -1.207  1.00  0.00           O  
HETATM   39  H   UNL     1       0.162   3.009   0.619  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.240   1.651  -2.474  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.889   3.095  -1.487  1.00  0.00           H  
HETATM   42  H   UNL     1       1.236   0.267   1.471  1.00  0.00           H  
HETATM   43  H   UNL     1       0.861   1.677   2.516  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.975  -0.352   2.007  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.460   1.331   2.361  1.00  0.00           H  
HETATM   46  H   UNL     1       0.922  -0.500  -0.176  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.212  -0.703  -1.533  1.00  0.00           H  
HETATM   48  H   UNL     1       1.271   0.259  -1.747  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.689  -0.920   1.174  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.742  -3.132  -0.052  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.482  -2.967  -1.299  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.068   1.094  -1.199  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.297   0.016   0.599  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.265   1.299   1.276  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.808   0.581  -0.167  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.876   0.400   1.338  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.364   1.377   1.325  1.00  0.00           H  
HETATM   58  H   UNL     1       4.351   2.465  -1.430  1.00  0.00           H  
HETATM   59  H   UNL     1       1.177   1.318  -2.874  1.00  0.00           H  
HETATM   60  H   UNL     1       0.678   2.934  -3.411  1.00  0.00           H  
HETATM   61  H   UNL     1       3.068   1.274   1.199  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.931  -0.569  -1.333  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.432  -1.673   1.465  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.172  -1.508   0.219  1.00  0.00           H  
HETATM   65  H   UNL     1       0.175  -3.982   0.241  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.085  -4.148   1.487  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.948  -7.560   0.081  1.00  0.00           H  
HETATM   68  H   UNL     1       0.444  -6.506   0.426  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.911  -6.596   1.577  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.120  -5.591   0.985  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.339  -4.786  -0.587  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.158  -6.555  -0.511  1.00  0.00           H  
HETATM   73  H   UNL     1       2.861   2.845  -2.121  1.00  0.00           H  
HETATM   74  H   UNL     1       1.648   3.974  -1.481  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.812   2.779  -0.602  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.760   1.488  -1.377  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.405   3.574   0.137  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.946   4.163  -0.697  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.850   2.778  -1.355  1.00  0.00           H  
HETATM   80  H   UNL     1       6.653   1.991  -1.675  1.00  0.00           H  
HETATM   81  H   UNL     1       7.406   2.472  -0.133  1.00  0.00           H  
HETATM   82  H   UNL     1       7.012  -0.388  -1.130  1.00  0.00           H  
HETATM   83  H   UNL     1       8.399  -0.957   0.893  1.00  0.00           H  
HETATM   84  H   UNL     1       8.238   0.733   1.426  1.00  0.00           H  
HETATM   85  H   UNL     1       6.532  -0.664   2.531  1.00  0.00           H  
HETATM   86  H   UNL     1       4.198   2.167   2.307  1.00  0.00           H  
HETATM   87  H   UNL     1       4.855   0.768   3.361  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.076  -1.341  -1.909  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.317  -1.719  -0.599  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.236   1.596   0.207  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.217  -6.296  -2.045  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.979   3.270   2.152  1.00  0.00           H  
HETATM   93  H   UNL     1       4.932  -1.739   1.119  1.00  0.00           H  
HETATM   94  H   UNL     1       8.820   0.803  -2.133  1.00  0.00           H  
CONECT    1   26    2    4   39                                       
CONECT    2    1    3   34    6                                       
CONECT    3   15    2   40   41                                       
CONECT    4    1    5   42   43                                       
CONECT    5    4   34   44   45                                       
CONECT    6    2   46   47   48                                       
CONECT    7   17   10   33   49                                       
CONECT    8   18   19   50   51                                       
CONECT    9   19   20   21   35                                       
CONECT   10    7   11   33   52                                       
CONECT   11   10   23   53   54                                       
CONECT   12   23   24   13   36                                       
CONECT   13   12   55   56   57                                       
CONECT   14   16   25   25   58                                       
CONECT   15   22    3   59   60                                       
CONECT   16   26   26   14   61                                       
CONECT   17   34    7   18   62                                       
CONECT   18   17    8   63   64                                       
CONECT   19    8    9   65   66                                       
CONECT   20    9   67   68   69                                       
CONECT   21    9   70   71   72                                       
CONECT   22   15   26   73   74                                       
CONECT   23   11   12   75   76                                       
CONECT   24   12   77   78   79                                       
CONECT   25   14   14   27   31                                       
CONECT   26   22    1   16   16                                       
CONECT   27   25   28   80   81                                       
CONECT   28   27   29   38   82                                       
CONECT   29   28   30   83   84                                       
CONECT   30   29   31   37   85                                       
CONECT   31   25   30   32   32                                       
CONECT   32   31   31   86   87                                       
CONECT   33    7   10   88   89                                       
CONECT   34    2    5   17   90                                       
CONECT   35    9   91                                                 
CONECT   36   12   92                                                 
CONECT   37   30   93                                                 
CONECT   38   28   94                                                 
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
