COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.282   2.735   1.794  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.152   1.500   0.929  1.00  0.00           C  
HETATM    3  C   UNL     1       5.320   1.470  -0.808  1.00  0.00           C  
HETATM    4  C   UNL     1       7.483  -1.493  -0.412  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.970  -0.876  -0.973  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.906  -2.055  -0.893  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.778  -3.221  -1.546  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.658  -3.425  -0.332  1.00  0.00           C  
HETATM    9  C   UNL     1       8.929  -2.784   1.002  1.00  0.00           C  
HETATM   10  C   UNL     1       6.915  -2.703  -0.869  1.00  0.00           C  
HETATM   11  C   UNL     1       1.962   5.049  -0.781  1.00  0.00           C  
HETATM   12  C   UNL     1       1.605   4.793  -2.247  1.00  0.00           C  
HETATM   13  C   UNL     1       0.482   3.754  -2.317  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.724   4.259  -1.521  1.00  0.00           C  
HETATM   15  C   UNL     1       0.714   5.517  -0.030  1.00  0.00           C  
HETATM   16  C   UNL     1       2.476   3.776  -0.159  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.494   4.842   0.698  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.429   3.663   0.779  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.135   1.653   1.873  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.431   3.513  -0.164  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.291   2.437  -0.096  1.00  0.00           C  
HETATM   22  C   UNL     1       4.073   1.939  -0.055  1.00  0.00           C  
HETATM   23  C   UNL     1       5.841   0.177  -0.176  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.069   0.343   1.008  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.959  -0.949   0.173  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.123  -2.148  -0.083  1.00  0.00           C  
HETATM   27  C   UNL     1       7.410  -3.923  -0.347  1.00  0.00           C  
HETATM   28  C   UNL     1       8.502  -1.554   0.533  1.00  0.00           C  
HETATM   29  C   UNL     1       6.853  -5.132  -0.797  1.00  0.00           C  
HETATM   30  C   UNL     1       5.885  -2.720  -1.819  1.00  0.00           C  
HETATM   31  C   UNL     1       5.853  -5.114  -1.721  1.00  0.00           C  
HETATM   32  C   UNL     1       5.369  -3.912  -2.232  1.00  0.00           C  
HETATM   33  C   UNL     1       9.099  -0.252   0.997  1.00  0.00           C  
HETATM   34  C   UNL     1      10.017  -2.911   2.040  1.00  0.00           C  
HETATM   35  C   UNL     1      10.831  -1.623   2.127  1.00  0.00           C  
HETATM   36  C   UNL     1       9.863  -0.447   2.305  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.834  -3.807   0.306  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.771  -1.280   0.798  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.925  -1.676   1.414  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.457  -2.935   1.172  1.00  0.00           C  
HETATM   41  N   UNL     1      -0.330   4.489  -0.125  1.00  0.00           N  
HETATM   42  N   UNL     1       3.574   3.176  -0.660  1.00  0.00           N  
HETATM   43  N   UNL     1       7.038  -0.273  -0.899  1.00  0.00           N  
HETATM   44  N   UNL     1      -6.050   0.197   0.095  1.00  0.00           N  
HETATM   45  N   UNL     1      -9.818  -4.051  -1.224  1.00  0.00           N  
HETATM   46  N   UNL     1       8.389  -3.906   0.558  1.00  0.00           N  
HETATM   47  O   UNL     1       1.901   3.291   0.793  1.00  0.00           O  
HETATM   48  O   UNL     1      -4.939  -0.477   1.896  1.00  0.00           O  
HETATM   49  H   UNL     1      -1.495   2.855   2.524  1.00  0.00           H  
HETATM   50  H   UNL     1       5.066   1.287  -1.852  1.00  0.00           H  
HETATM   51  H   UNL     1       6.090   2.239  -0.750  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.442  -0.896  -1.926  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.543   0.048  -0.894  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.975  -3.467  -2.224  1.00  0.00           H  
HETATM   55  H   UNL     1       2.732   5.818  -0.723  1.00  0.00           H  
HETATM   56  H   UNL     1       1.270   5.722  -2.708  1.00  0.00           H  
HETATM   57  H   UNL     1       2.481   4.419  -2.776  1.00  0.00           H  
HETATM   58  H   UNL     1       0.193   3.599  -3.356  1.00  0.00           H  
HETATM   59  H   UNL     1       0.830   2.813  -1.891  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.080   5.193  -1.956  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.520   3.516  -1.557  1.00  0.00           H  
HETATM   62  H   UNL     1       0.963   5.687   1.018  1.00  0.00           H  
HETATM   63  H   UNL     1       0.351   6.445  -0.472  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.014   5.688   0.249  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.161   5.110   1.701  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.016   0.927   2.664  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.541   4.241  -0.954  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.073   2.321  -0.832  1.00  0.00           H  
HETATM   69  H   UNL     1       3.303   1.169  -0.113  1.00  0.00           H  
HETATM   70  H   UNL     1       4.326   2.121   0.989  1.00  0.00           H  
HETATM   71  H   UNL     1       6.094   0.360   0.868  1.00  0.00           H  
HETATM   72  H   UNL     1       5.071  -0.592  -0.234  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.487  -0.929   1.126  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.386  -1.873   0.094  1.00  0.00           H  
HETATM   75  H   UNL     1       7.218  -6.073  -0.412  1.00  0.00           H  
HETATM   76  H   UNL     1       5.502  -1.794  -2.221  1.00  0.00           H  
HETATM   77  H   UNL     1       5.428  -6.046  -2.063  1.00  0.00           H  
HETATM   78  H   UNL     1       4.575  -3.925  -2.964  1.00  0.00           H  
HETATM   79  H   UNL     1       9.783   0.122   0.234  1.00  0.00           H  
HETATM   80  H   UNL     1       8.302   0.475   1.152  1.00  0.00           H  
HETATM   81  H   UNL     1       9.565  -3.117   3.011  1.00  0.00           H  
HETATM   82  H   UNL     1      10.677  -3.735   1.770  1.00  0.00           H  
HETATM   83  H   UNL     1      11.507  -1.673   2.981  1.00  0.00           H  
HETATM   84  H   UNL     1      11.408  -1.491   1.212  1.00  0.00           H  
HETATM   85  H   UNL     1      10.423   0.457   2.542  1.00  0.00           H  
HETATM   86  H   UNL     1       9.162  -0.668   3.110  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.257  -4.784   0.124  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.363  -0.299   0.991  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.426  -1.004   2.095  1.00  0.00           H  
HETATM   90  H   UNL     1     -13.370  -3.233   1.666  1.00  0.00           H  
HETATM   91  H   UNL     1       4.033   3.563  -1.421  1.00  0.00           H  
HETATM   92  H   UNL     1       6.864  -0.321  -1.891  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.153   0.851  -0.614  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.943  -4.948  -1.572  1.00  0.00           H  
CONECT    1   18   18   19   49                                       
CONECT    2   19   19   21   24                                       
CONECT    3   22   23   50   51                                       
CONECT    4   43   28   28   10                                       
CONECT    5   25    6   52   53                                       
CONECT    6    7    7    5   26                                       
CONECT    7    6    6   45   54                                       
CONECT    8   45   26   26   37                                       
CONECT    9   28   34   46   46                                       
CONECT   10    4   30   30   27                                       
CONECT   11   12   15   16   55                                       
CONECT   12   13   11   56   57                                       
CONECT   13   14   12   58   59                                       
CONECT   14   13   41   60   61                                       
CONECT   15   41   11   62   63                                       
CONECT   16   11   42   47   47                                       
CONECT   17   41   18   64   65                                       
CONECT   18   17    1    1   20                                       
CONECT   19    1    2    2   66                                       
CONECT   20   18   21   21   67                                       
CONECT   21   20   20    2   68                                       
CONECT   22    3   42   69   70                                       
CONECT   23    3   43   71   72                                       
CONECT   24    2   48   48   44                                       
CONECT   25   44    5   73   74                                       
CONECT   26    6    8    8   38                                       
CONECT   27   10   46   29   29                                       
CONECT   28   33    4    4    9                                       
CONECT   29   27   27   31   75                                       
CONECT   30   10   10   32   76                                       
CONECT   31   32   32   29   77                                       
CONECT   32   30   31   31   78                                       
CONECT   33   36   28   79   80                                       
CONECT   34   35    9   81   82                                       
CONECT   35   36   34   83   84                                       
CONECT   36   33   35   85   86                                       
CONECT   37    8   40   40   87                                       
CONECT   38   26   39   39   88                                       
CONECT   39   38   38   40   89                                       
CONECT   40   37   37   39   90                                       
CONECT   41   14   17   15                                            
CONECT   42   16   22   91                                            
CONECT   43   23    4   92                                            
CONECT   44   24   25   93                                            
CONECT   45    7    8   94                                            
CONECT   46    9    9   27                                            
CONECT   47   16   16                                                 
CONECT   48   24   24                                                 
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
