COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.839  -1.791   2.051  1.00  0.00           C  
HETATM    2  C   UNL     1       4.756  -2.901   1.002  1.00  0.00           C  
HETATM    3  N   UNL     1       0.695  -1.562  -4.064  1.00  0.00           N  
HETATM    4  C   UNL     1       3.468  -1.604   2.705  1.00  0.00           C  
HETATM    5  C   UNL     1       1.413  -3.655  -3.014  1.00  0.00           C  
HETATM    6  C   UNL     1       0.218  -2.832  -3.499  1.00  0.00           C  
HETATM    7  C   UNL     1       6.561  -0.303   1.343  1.00  0.00           C  
HETATM    8  C   UNL     1       7.056   0.964   0.694  1.00  0.00           C  
HETATM    9  C   UNL     1       8.585   1.000   0.746  1.00  0.00           C  
HETATM   10  C   UNL     1       9.087   2.286   0.088  1.00  0.00           C  
HETATM   11  C   UNL     1      10.616   2.322   0.140  1.00  0.00           C  
HETATM   12  C   UNL     1      11.118   3.609  -0.518  1.00  0.00           C  
HETATM   13  C   UNL     1      12.647   3.645  -0.466  1.00  0.00           C  
HETATM   14  C   UNL     1      13.150   4.931  -1.124  1.00  0.00           C  
HETATM   15  C   UNL     1      14.678   4.967  -1.072  1.00  0.00           C  
HETATM   16  C   UNL     1      15.181   6.253  -1.730  1.00  0.00           C  
HETATM   17  C   UNL     1       1.207  -1.171   2.088  1.00  0.00           C  
HETATM   18  C   UNL     1       0.118  -0.910   1.079  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.217  -0.734   1.804  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.323  -0.470   0.780  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.658  -0.294   1.505  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.764  -0.029   0.481  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.100   0.146   1.206  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.205   0.411   0.182  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.541   0.587   0.907  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.646   0.851  -0.118  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.982   1.027   0.608  1.00  0.00           C  
HETATM   28  C   UNL     1     -12.087   1.292  -0.417  1.00  0.00           C  
HETATM   29  C   UNL     1     -13.423   1.467   0.308  1.00  0.00           C  
HETATM   30  C   UNL     1     -14.528   1.732  -0.716  1.00  0.00           C  
HETATM   31  C   UNL     1     -15.864   1.908   0.009  1.00  0.00           C  
HETATM   32  C   UNL     1     -16.969   2.172  -1.015  1.00  0.00           C  
HETATM   33  C   UNL     1     -18.305   2.348  -0.290  1.00  0.00           C  
HETATM   34  C   UNL     1     -19.410   2.613  -1.314  1.00  0.00           C  
HETATM   35  O   UNL     1       7.350  -1.096   1.800  1.00  0.00           O  
HETATM   36  O   UNL     1       0.942  -1.212   3.266  1.00  0.00           O  
HETATM   37  O   UNL     1       5.243  -0.551   1.412  1.00  0.00           O  
HETATM   38  O   UNL     1       2.471  -1.357   1.678  1.00  0.00           O  
HETATM   39  O   UNL     1       4.590  -3.605  -2.197  1.00  0.00           O  
HETATM   40  O   UNL     1       3.061  -4.919  -0.679  1.00  0.00           O  
HETATM   41  O   UNL     1       3.716  -2.599   0.069  1.00  0.00           O  
HETATM   42  O   UNL     1       2.052  -2.974  -1.931  1.00  0.00           O  
HETATM   43  P   UNL     1       3.349  -3.555  -1.174  1.00  0.00           P  
HETATM   44  H   UNL     1       5.570  -2.063   2.812  1.00  0.00           H  
HETATM   45  H   UNL     1       5.707  -2.974   0.474  1.00  0.00           H  
HETATM   46  H   UNL     1       4.539  -3.850   1.493  1.00  0.00           H  
HETATM   47  H   UNL     1       1.365  -1.724  -4.802  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.076  -1.000  -4.392  1.00  0.00           H  
HETATM   49  H   UNL     1       3.204  -2.505   3.259  1.00  0.00           H  
HETATM   50  H   UNL     1       3.504  -0.755   3.387  1.00  0.00           H  
HETATM   51  H   UNL     1       1.069  -4.632  -2.676  1.00  0.00           H  
HETATM   52  H   UNL     1       2.123  -3.782  -3.831  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.448  -2.629  -2.661  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.320  -3.391  -4.264  1.00  0.00           H  
HETATM   55  H   UNL     1       6.727   0.993  -0.345  1.00  0.00           H  
HETATM   56  H   UNL     1       6.654   1.826   1.226  1.00  0.00           H  
HETATM   57  H   UNL     1       8.913   0.971   1.785  1.00  0.00           H  
HETATM   58  H   UNL     1       8.987   0.138   0.214  1.00  0.00           H  
HETATM   59  H   UNL     1       8.758   2.315  -0.951  1.00  0.00           H  
HETATM   60  H   UNL     1       8.685   3.148   0.620  1.00  0.00           H  
HETATM   61  H   UNL     1      10.944   2.294   1.179  1.00  0.00           H  
HETATM   62  H   UNL     1      11.018   1.461  -0.392  1.00  0.00           H  
HETATM   63  H   UNL     1      10.790   3.638  -1.557  1.00  0.00           H  
HETATM   64  H   UNL     1      10.716   4.471   0.014  1.00  0.00           H  
HETATM   65  H   UNL     1      12.976   3.616   0.573  1.00  0.00           H  
HETATM   66  H   UNL     1      13.049   2.783  -0.998  1.00  0.00           H  
HETATM   67  H   UNL     1      12.821   4.960  -2.163  1.00  0.00           H  
HETATM   68  H   UNL     1      12.748   5.793  -0.592  1.00  0.00           H  
HETATM   69  H   UNL     1      15.007   4.938  -0.033  1.00  0.00           H  
HETATM   70  H   UNL     1      15.081   4.105  -1.604  1.00  0.00           H  
HETATM   71  H   UNL     1      14.852   6.282  -2.769  1.00  0.00           H  
HETATM   72  H   UNL     1      14.779   7.115  -1.198  1.00  0.00           H  
HETATM   73  H   UNL     1      16.270   6.279  -1.693  1.00  0.00           H  
HETATM   74  H   UNL     1       0.350  -0.003   0.520  1.00  0.00           H  
HETATM   75  H   UNL     1       0.051  -1.753   0.391  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.449  -1.641   2.363  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.150   0.109   2.492  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.091   0.437   0.221  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.391  -1.313   0.092  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.891  -1.201   2.064  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.591   0.549   2.193  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.532   0.877  -0.078  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.832  -0.873  -0.207  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.332  -0.761   1.765  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.032   0.989   1.893  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.973   1.318  -0.377  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.273  -0.432  -0.506  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.773  -0.320   1.465  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.473   1.430   1.594  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.414   1.758  -0.676  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.714   0.008  -0.805  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.214   0.120   1.166  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.914   1.870   1.295  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.855   2.198  -0.975  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.155   0.449  -1.104  1.00  0.00           H  
HETATM   96  H   UNL     1     -13.655   0.561   0.867  1.00  0.00           H  
HETATM   97  H   UNL     1     -13.355   2.310   0.996  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.296   2.639  -1.275  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.596   0.889  -1.403  1.00  0.00           H  
HETATM  100  H   UNL     1     -16.096   1.001   0.568  1.00  0.00           H  
HETATM  101  H   UNL     1     -15.796   2.751   0.697  1.00  0.00           H  
HETATM  102  H   UNL     1     -16.737   3.079  -1.574  1.00  0.00           H  
HETATM  103  H   UNL     1     -17.037   1.329  -1.702  1.00  0.00           H  
HETATM  104  H   UNL     1     -18.537   1.441   0.269  1.00  0.00           H  
HETATM  105  H   UNL     1     -18.237   3.191   0.398  1.00  0.00           H  
HETATM  106  H   UNL     1     -19.178   3.520  -1.873  1.00  0.00           H  
HETATM  107  H   UNL     1     -19.478   1.770  -2.002  1.00  0.00           H  
HETATM  108  H   UNL     1     -20.362   2.738  -0.798  1.00  0.00           H  
HETATM  109  H   UNL     1       4.834  -2.744  -2.562  1.00  0.00           H  
CONECT    1    4    2   37   44                                       
CONECT    2   41    1   45   46                                       
CONECT    3    6   47   48                                            
CONECT    4   38    1   49   50                                       
CONECT    5    6   42   51   52                                       
CONECT    6    3    5   53   54                                       
CONECT    7   37   35   35    8                                       
CONECT    8    7    9   55   56                                       
CONECT    9    8   10   57   58                                       
CONECT   10    9   11   59   60                                       
CONECT   11   10   12   61   62                                       
CONECT   12   11   13   63   64                                       
CONECT   13   12   14   65   66                                       
CONECT   14   13   15   67   68                                       
CONECT   15   14   16   69   70                                       
CONECT   16   15   71   72   73                                       
CONECT   17   36   36   18   38                                       
CONECT   18   17   19   74   75                                       
CONECT   19   18   20   76   77                                       
CONECT   20   19   21   78   79                                       
CONECT   21   20   22   80   81                                       
CONECT   22   21   23   82   83                                       
CONECT   23   24   22   84   85                                       
CONECT   24   25   23   86   87                                       
CONECT   25   24   26   88   89                                       
CONECT   26   25   27   90   91                                       
CONECT   27   28   26   92   93                                       
CONECT   28   27   29   94   95                                       
CONECT   29   28   30   96   97                                       
CONECT   30   29   31   98   99                                       
CONECT   31   30   32  100  101                                       
CONECT   32   31   33  102  103                                       
CONECT   33   32   34  104  105                                       
CONECT   34   33  106  107  108                                       
CONECT   35    7    7                                                 
CONECT   36   17   17                                                 
CONECT   37    1    7                                                 
CONECT   38   17    4                                                 
CONECT   39   43  109                                                 
CONECT   40   43   43                                                 
CONECT   41   43    2                                                 
CONECT   42    5   43                                                 
CONECT   43   42   40   40   41                                       
CONECT   43   39                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   16                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   29                                                      
CONECT   98   30                                                      
CONECT   99   30                                                      
CONECT  100   31                                                      
CONECT  101   31                                                      
CONECT  102   32                                                      
CONECT  103   32                                                      
CONECT  104   33                                                      
CONECT  105   33                                                      
CONECT  106   34                                                      
CONECT  107   34                                                      
CONECT  108   34                                                      
CONECT  109   39                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
