COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.204  -0.208  -0.649  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.355   0.894  -1.727  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.112   1.816  -1.588  1.00  0.00           C  
HETATM    4  O   UNL     1     -10.763  -1.118   0.586  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.418  -0.209   0.282  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.385  -0.693   0.501  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.629  -1.117  -0.283  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.171  -0.692  -0.431  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.908  -0.389   0.378  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.681  -0.512  -0.527  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.234  -1.278   1.360  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.343   0.307  -1.437  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.077   0.899  -0.927  1.00  0.00           C  
HETATM   14  C   UNL     1       1.050   1.597  -0.189  1.00  0.00           C  
HETATM   15  C   UNL     1       1.905   2.406  -1.166  1.00  0.00           C  
HETATM   16  C   UNL     1       3.061   3.061  -0.408  1.00  0.00           C  
HETATM   17  C   UNL     1       3.922   1.979   0.247  1.00  0.00           C  
HETATM   18  C   UNL     1       4.485   1.053  -0.833  1.00  0.00           C  
HETATM   19  C   UNL     1       5.348  -0.029  -0.179  1.00  0.00           C  
HETATM   20  C   UNL     1       4.494  -0.841   0.795  1.00  0.00           C  
HETATM   21  C   UNL     1       3.930   0.085   1.875  1.00  0.00           C  
HETATM   22  C   UNL     1       3.067   1.165   1.220  1.00  0.00           C  
HETATM   23  C   UNL     1       2.498   2.088   2.300  1.00  0.00           C  
HETATM   24  C   UNL     1       1.918   0.505   0.455  1.00  0.00           C  
HETATM   25  C   UNL     1       1.105  -0.379   1.395  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.115  -0.982   0.680  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.943   0.157   0.127  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.291   1.136   1.250  1.00  0.00           C  
HETATM   29  C   UNL     1       5.910  -0.955  -1.260  1.00  0.00           C  
HETATM   30  C   UNL     1       6.904  -1.931  -0.628  1.00  0.00           C  
HETATM   31  C   UNL     1       7.578  -2.755  -1.727  1.00  0.00           C  
HETATM   32  C   UNL     1       7.966  -1.148   0.146  1.00  0.00           C  
HETATM   33  O   UNL     1       6.211  -2.805   0.266  1.00  0.00           O  
HETATM   34  H   UNL     1      -2.090  -1.184  -1.121  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.378   0.445  -2.720  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.266   1.466  -1.553  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.766   2.146  -2.567  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.336   2.671  -0.951  1.00  0.00           H  
HETATM   39  H   UNL     1     -11.589  -1.378   0.156  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.515   0.769   0.753  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.534   0.309   0.903  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.215  -1.392   1.319  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.480  -2.119  -0.686  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.799  -0.418  -1.102  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.075  -1.670  -0.902  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.966   0.624   0.777  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.825  -1.099   1.201  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.765   0.198  -1.350  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.623  -1.525  -0.926  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.138  -2.257   0.888  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.334  -1.063   1.936  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.099  -1.279   2.023  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.436   1.204  -1.089  1.00  0.00           H  
HETATM   54  H   UNL     1       0.325   0.194  -1.655  1.00  0.00           H  
HETATM   55  H   UNL     1       0.637   2.257   0.573  1.00  0.00           H  
HETATM   56  H   UNL     1       2.303   1.744  -1.935  1.00  0.00           H  
HETATM   57  H   UNL     1       1.292   3.177  -1.632  1.00  0.00           H  
HETATM   58  H   UNL     1       3.670   3.638  -1.104  1.00  0.00           H  
HETATM   59  H   UNL     1       2.663   3.723   0.361  1.00  0.00           H  
HETATM   60  H   UNL     1       4.744   2.448   0.789  1.00  0.00           H  
HETATM   61  H   UNL     1       3.664   0.585  -1.375  1.00  0.00           H  
HETATM   62  H   UNL     1       5.094   1.633  -1.527  1.00  0.00           H  
HETATM   63  H   UNL     1       6.170   0.440   0.361  1.00  0.00           H  
HETATM   64  H   UNL     1       3.672  -1.311   0.254  1.00  0.00           H  
HETATM   65  H   UNL     1       5.108  -1.612   1.262  1.00  0.00           H  
HETATM   66  H   UNL     1       3.322  -0.495   2.570  1.00  0.00           H  
HETATM   67  H   UNL     1       4.752   0.555   2.416  1.00  0.00           H  
HETATM   68  H   UNL     1       3.317   2.558   2.845  1.00  0.00           H  
HETATM   69  H   UNL     1       1.884   2.858   1.833  1.00  0.00           H  
HETATM   70  H   UNL     1       1.889   1.506   2.992  1.00  0.00           H  
HETATM   71  H   UNL     1       2.335  -0.124  -0.332  1.00  0.00           H  
HETATM   72  H   UNL     1       1.735  -1.186   1.768  1.00  0.00           H  
HETATM   73  H   UNL     1       0.764   0.225   2.236  1.00  0.00           H  
HETATM   74  H   UNL     1       0.213  -1.618  -0.142  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.709  -1.563   1.385  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.373   1.491   1.719  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.839   1.983   0.837  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.908   0.631   1.993  1.00  0.00           H  
HETATM   79  H   UNL     1       5.094  -1.513  -1.720  1.00  0.00           H  
HETATM   80  H   UNL     1       6.417  -0.361  -2.020  1.00  0.00           H  
HETATM   81  H   UNL     1       8.106  -2.089  -2.408  1.00  0.00           H  
HETATM   82  H   UNL     1       8.286  -3.451  -1.276  1.00  0.00           H  
HETATM   83  H   UNL     1       6.821  -3.313  -2.278  1.00  0.00           H  
HETATM   84  H   UNL     1       7.486  -0.560   0.929  1.00  0.00           H  
HETATM   85  H   UNL     1       8.675  -1.843   0.596  1.00  0.00           H  
HETATM   86  H   UNL     1       8.495  -0.481  -0.536  1.00  0.00           H  
HETATM   87  H   UNL     1       6.781  -3.452   0.704  1.00  0.00           H  
CONECT    1   27    5    2   34                                       
CONECT    2    1    3   35   36                                       
CONECT    3   13    2   37   38                                       
CONECT    4    7   39                                                 
CONECT    5   11   10    1   40                                       
CONECT    6    7    8   41   42                                       
CONECT    7    6    4   43   44                                       
CONECT    8    6    9   12   45                                       
CONECT    9   10    8   46   47                                       
CONECT   10    5    9   48   49                                       
CONECT   11    5   50   51   52                                       
CONECT   12    8   53                                                 
CONECT   13   27   14    3   54                                       
CONECT   14   24   13   15   55                                       
CONECT   15   14   16   56   57                                       
CONECT   16   17   15   58   59                                       
CONECT   17   18   22   16   60                                       
CONECT   18   19   17   61   62                                       
CONECT   19   29   20   18   63                                       
CONECT   20   19   21   64   65                                       
CONECT   21   20   22   66   67                                       
CONECT   22   21   24   17   23                                       
CONECT   23   22   68   69   70                                       
CONECT   24   25   22   14   71                                       
CONECT   25   26   24   72   73                                       
CONECT   26   25   27   74   75                                       
CONECT   27   26    1   13   28                                       
CONECT   28   27   76   77   78                                       
CONECT   29   30   19   79   80                                       
CONECT   30   31   32   29   33                                       
CONECT   31   30   81   82   83                                       
CONECT   32   30   84   85   86                                       
CONECT   33   30   87                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
