COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.690  -3.842   1.211  1.00  0.00           C  
HETATM    2  C   UNL     1      10.000  -2.558   0.327  1.00  0.00           C  
HETATM    3  C   UNL     1      10.538  -4.724  -0.584  1.00  0.00           C  
HETATM    4  C   UNL     1       9.751  -3.561  -0.624  1.00  0.00           C  
HETATM    5  N   UNL     1      11.489  -4.814   0.340  1.00  0.00           N  
HETATM    6  N   UNL     1      10.970  -2.739   1.218  1.00  0.00           N  
HETATM    7  C   UNL     1       8.340  -1.956  -0.993  1.00  0.00           C  
HETATM    8  C   UNL     1       1.652   2.564  -0.682  1.00  0.00           C  
HETATM    9  C   UNL     1       0.547   1.773   0.021  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.804   2.112  -0.613  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.910   1.322   0.090  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.261   1.661  -0.544  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.366   0.870   0.159  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.717   1.209  -0.475  1.00  0.00           C  
HETATM   15  O   UNL     1       4.284   4.482  -0.291  1.00  0.00           O  
HETATM   16  P   UNL     1       4.301   2.898  -0.582  1.00  0.00           P  
HETATM   17  O   UNL     1       4.468   2.665  -2.034  1.00  0.00           O  
HETATM   18  O   UNL     1       5.525   2.220   0.215  1.00  0.00           O  
HETATM   19  C   UNL     1       6.895   2.510  -0.070  1.00  0.00           C  
HETATM   20  C   UNL     1       7.793   1.699   0.866  1.00  0.00           C  
HETATM   21  O   UNL     1       7.671   0.298   0.568  1.00  0.00           O  
HETATM   22  C   UNL     1       9.267   2.090   0.647  1.00  0.00           C  
HETATM   23  O   UNL     1       9.832   2.605   1.855  1.00  0.00           O  
HETATM   24  C   UNL     1       9.958   0.762   0.250  1.00  0.00           C  
HETATM   25  O   UNL     1      11.235   0.644   0.879  1.00  0.00           O  
HETATM   26  C   UNL     1       8.965  -0.298   0.804  1.00  0.00           C  
HETATM   27  N   UNL     1       9.096  -1.559   0.070  1.00  0.00           N  
HETATM   28  N   UNL     1       8.726  -3.131  -1.399  1.00  0.00           N  
HETATM   29  N   UNL     1      10.339  -5.746  -1.496  1.00  0.00           N  
HETATM   30  O   UNL     1       2.914   2.247  -0.090  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.823   0.419   0.228  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.173   0.757  -0.406  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.279  -0.033   0.296  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.630   0.306  -0.338  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.735  -0.484   0.365  1.00  0.00           C  
HETATM   36  C   UNL     1     -13.086  -0.146  -0.269  1.00  0.00           C  
HETATM   37  C   UNL     1     -14.192  -0.936   0.434  1.00  0.00           C  
HETATM   38  C   UNL     1     -15.542  -0.597  -0.200  1.00  0.00           C  
HETATM   39  C   UNL     1     -16.648  -1.388   0.503  1.00  0.00           C  
HETATM   40  H   UNL     1      12.470  -3.957   1.948  1.00  0.00           H  
HETATM   41  H   UNL     1       7.540  -1.380  -1.433  1.00  0.00           H  
HETATM   42  H   UNL     1       1.671   2.300  -1.739  1.00  0.00           H  
HETATM   43  H   UNL     1       1.459   3.631  -0.576  1.00  0.00           H  
HETATM   44  H   UNL     1       0.740   0.706  -0.084  1.00  0.00           H  
HETATM   45  H   UNL     1       0.528   2.036   1.079  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.998   3.180  -0.507  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.785   1.849  -1.670  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.717   0.254  -0.015  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.929   1.585   1.148  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.454   2.728  -0.439  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.242   1.397  -1.602  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.173  -0.197   0.053  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.385   1.133   1.216  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.910   2.276  -0.370  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.698   0.946  -1.533  1.00  0.00           H  
HETATM   56  H   UNL     1       4.177   4.709   0.642  1.00  0.00           H  
HETATM   57  H   UNL     1       7.115   2.244  -1.104  1.00  0.00           H  
HETATM   58  H   UNL     1       7.081   3.573   0.079  1.00  0.00           H  
HETATM   59  H   UNL     1       7.510   1.883   1.902  1.00  0.00           H  
HETATM   60  H   UNL     1       9.353   2.820  -0.157  1.00  0.00           H  
HETATM   61  H   UNL     1      10.774   2.814   1.791  1.00  0.00           H  
HETATM   62  H   UNL     1      10.050   0.681  -0.833  1.00  0.00           H  
HETATM   63  H   UNL     1      11.861   1.339   0.633  1.00  0.00           H  
HETATM   64  H   UNL     1       9.127  -0.454   1.870  1.00  0.00           H  
HETATM   65  H   UNL     1       9.649  -5.664  -2.173  1.00  0.00           H  
HETATM   66  H   UNL     1      10.888  -6.544  -1.457  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.629  -0.649   0.122  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.841   0.682   1.285  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.367   1.825  -0.301  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.155   0.494  -1.464  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.086  -1.100   0.191  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.298   0.230   1.354  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.823   1.373  -0.232  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.611   0.043  -1.395  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.542  -1.552   0.260  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.754  -0.221   1.423  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.279   0.922  -0.163  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.067  -0.409  -1.326  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.998  -2.003   0.328  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.210  -0.673   1.491  1.00  0.00           H  
HETATM   81  H   UNL     1     -15.736   0.470  -0.095  1.00  0.00           H  
HETATM   82  H   UNL     1     -16.455  -2.455   0.397  1.00  0.00           H  
HETATM   83  H   UNL     1     -16.667  -1.124   1.560  1.00  0.00           H  
HETATM   84  C   UNL     1     -17.999  -1.049  -0.131  1.00  0.00           C  
HETATM   85  C   UNL     1     -19.104  -1.839   0.571  1.00  0.00           C  
HETATM   86  C   UNL     1     -20.455  -1.500  -0.062  1.00  0.00           C  
HETATM   87  C   UNL     1     -21.561  -2.291   0.640  1.00  0.00           C  
HETATM   88  H   UNL     1     -15.524  -0.860  -1.258  1.00  0.00           H  
HETATM   89  H   UNL     1     -18.192   0.019  -0.026  1.00  0.00           H  
HETATM   90  H   UNL     1     -17.980  -1.312  -1.189  1.00  0.00           H  
HETATM   91  H   UNL     1     -18.911  -2.907   0.466  1.00  0.00           H  
HETATM   92  H   UNL     1     -19.123  -1.576   1.629  1.00  0.00           H  
HETATM   93  H   UNL     1     -20.649  -0.433   0.043  1.00  0.00           H  
HETATM   94  H   UNL     1     -20.436  -1.763  -1.120  1.00  0.00           H  
HETATM   95  H   UNL     1     -21.580  -2.027   1.698  1.00  0.00           H  
HETATM   96  H   UNL     1     -22.523  -2.049   0.189  1.00  0.00           H  
HETATM   97  H   UNL     1     -21.368  -3.358   0.535  1.00  0.00           H  
CONECT    1    5    5    6   40                                       
CONECT    2    4   27    6    6                                       
CONECT    3   29    4    4    5                                       
CONECT    4    3    3   28    2                                       
CONECT    5    3    1    1                                            
CONECT    6    2    2    1                                            
CONECT    7   28   28   27   41                                       
CONECT    8    9   30   42   43                                       
CONECT    9   10    8   44   45                                       
CONECT   10   11    9   46   47                                       
CONECT   11   12   10   48   49                                       
CONECT   12   13   11   50   51                                       
CONECT   13   14   12   52   53                                       
CONECT   14   31   13   54   55                                       
CONECT   15   16   56                                                 
CONECT   16   30   17   17   18                                       
CONECT   16   15                                                      
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20   57   58                                       
CONECT   20   19   22   21   59                                       
CONECT   21   26   20                                                 
CONECT   22   24   20   23   60                                       
CONECT   23   22   61                                                 
CONECT   24   26   22   25   62                                       
CONECT   25   24   63                                                 
CONECT   26   27   24   21   64                                       
CONECT   27    7    2   26                                            
CONECT   28    4    7    7                                            
CONECT   29    3   65   66                                            
CONECT   30    8   16                                                 
CONECT   31   32   14   67   68                                       
CONECT   32   33   31   69   70                                       
CONECT   33   34   32   71   72                                       
CONECT   34   35   33   73   74                                       
CONECT   35   36   34   75   76                                       
CONECT   36   37   35   77   78                                       
CONECT   37   38   36   79   80                                       
CONECT   38   39   37   81   88                                       
CONECT   39   38   82   83   84                                       
CONECT   40    1                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   39   85   89   90                                       
CONECT   85   84   86   91   92                                       
CONECT   86   85   87   93   94                                       
CONECT   87   86   95   96   97                                       
CONECT   88   38                                                      
CONECT   89   84                                                      
CONECT   90   84                                                      
CONECT   91   85                                                      
CONECT   92   85                                                      
CONECT   93   86                                                      
CONECT   94   86                                                      
CONECT   95   87                                                      
CONECT   96   87                                                      
CONECT   97   87                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
