COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.028  -2.563  -0.267  1.00  0.00           O  
HETATM    2  C   UNL     1       6.455  -2.514  -0.204  1.00  0.00           C  
HETATM    3  C   UNL     1       6.972  -1.452  -1.176  1.00  0.00           C  
HETATM    4  O   UNL     1       6.560  -0.146  -0.739  1.00  0.00           O  
HETATM    5  C   UNL     1       8.513  -1.464  -1.195  1.00  0.00           C  
HETATM    6  O   UNL     1       8.995  -1.757  -2.508  1.00  0.00           O  
HETATM    7  C   UNL     1       8.909  -0.027  -0.777  1.00  0.00           C  
HETATM    8  O   UNL     1      10.006   0.448  -1.560  1.00  0.00           O  
HETATM    9  C   UNL     1       7.618   0.771  -1.094  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.808   2.161   1.509  1.00  0.00           O  
HETATM   11  N   UNL     1      -7.041   4.027  -0.012  1.00  0.00           N  
HETATM   12  C   UNL     1      -7.870   4.814   0.701  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.709   6.010   0.845  1.00  0.00           O  
HETATM   14  N   UNL     1      -8.890   4.131   1.234  1.00  0.00           N  
HETATM   15  C   UNL     1      -8.828   2.820   0.919  1.00  0.00           C  
HETATM   16  O   UNL     1      -9.603   1.948   1.250  1.00  0.00           O  
HETATM   17  C   UNL     1      -7.593   2.670   0.063  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.945   2.184  -1.273  1.00  0.00           N  
HETATM   19  C   UNL     1      -8.139   0.803  -1.439  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.972   0.319  -2.431  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.140  -1.046  -2.581  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.047  -1.579  -3.661  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.476  -1.924  -1.743  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.661  -3.409  -1.916  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.645  -1.445  -0.748  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.474  -0.079  -0.586  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.635   0.417   0.419  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.617   1.732   0.714  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.768  -0.503   1.159  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.421  -0.621   0.444  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.627  -1.120  -0.879  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.516  -1.582   1.217  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.310  -1.083   2.540  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.168  -1.700   0.501  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.374  -2.199  -0.822  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.263  -2.661   1.274  1.00  0.00           C  
HETATM   37  O   UNL     1       0.033  -2.682   0.673  1.00  0.00           O  
HETATM   38  P   UNL     1       1.243  -3.587   1.228  1.00  0.00           P  
HETATM   39  P   UNL     1       4.145  -3.571   0.625  1.00  0.00           P  
HETATM   40  O   UNL     1       4.464  -5.089   0.194  1.00  0.00           O  
HETATM   41  O   UNL     1       4.478  -3.384   2.055  1.00  0.00           O  
HETATM   42  N   UNL     1       7.546   1.983  -0.274  1.00  0.00           N  
HETATM   43  C   UNL     1       6.890   2.117   0.913  1.00  0.00           C  
HETATM   44  N   UNL     1       7.035   3.328   1.367  1.00  0.00           N  
HETATM   45  C   UNL     1       7.791   4.046   0.503  1.00  0.00           C  
HETATM   46  C   UNL     1       8.264   5.369   0.467  1.00  0.00           C  
HETATM   47  N   UNL     1       7.964   6.256   1.486  1.00  0.00           N  
HETATM   48  N   UNL     1       9.006   5.748  -0.568  1.00  0.00           N  
HETATM   49  C   UNL     1       9.297   4.909  -1.545  1.00  0.00           C  
HETATM   50  N   UNL     1       8.876   3.661  -1.554  1.00  0.00           N  
HETATM   51  C   UNL     1       8.133   3.190  -0.558  1.00  0.00           C  
HETATM   52  O   UNL     1       2.582  -3.264   0.394  1.00  0.00           O  
HETATM   53  O   UNL     1       1.469  -3.285   2.659  1.00  0.00           O  
HETATM   54  O   UNL     1       0.869  -5.144   1.060  1.00  0.00           O  
HETATM   55  H   UNL     1       6.765  -2.260   0.810  1.00  0.00           H  
HETATM   56  H   UNL     1       6.865  -3.486  -0.476  1.00  0.00           H  
HETATM   57  H   UNL     1       6.586  -1.646  -2.177  1.00  0.00           H  
HETATM   58  H   UNL     1       8.897  -2.189  -0.478  1.00  0.00           H  
HETATM   59  H   UNL     1       9.959  -1.777  -2.577  1.00  0.00           H  
HETATM   60  H   UNL     1       9.143   0.018   0.287  1.00  0.00           H  
HETATM   61  H   UNL     1      10.813  -0.076  -1.464  1.00  0.00           H  
HETATM   62  H   UNL     1       7.571   1.019  -2.154  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.240   4.303  -0.484  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.587   4.528   1.779  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.042   2.796  -2.019  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.490   1.004  -3.086  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.473  -1.732  -4.575  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.478  -2.526  -3.338  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.846  -0.862  -3.850  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.911  -3.790  -2.610  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.547  -3.904  -0.951  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.657  -3.608  -2.312  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.128  -2.135  -0.097  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.612  -0.122   2.168  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.240  -1.484   1.210  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.950   0.361   0.393  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.043  -1.992  -0.910  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.987  -2.563   1.268  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.893  -0.211   2.571  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.697  -0.718   0.450  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.790  -3.071  -0.853  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.178  -2.327   2.308  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.691  -3.663   1.249  1.00  0.00           H  
HETATM   84  H   UNL     1       4.269  -5.284  -0.733  1.00  0.00           H  
HETATM   85  H   UNL     1       6.332   1.333   1.404  1.00  0.00           H  
HETATM   86  H   UNL     1       7.422   5.967   2.237  1.00  0.00           H  
HETATM   87  H   UNL     1       8.296   7.166   1.450  1.00  0.00           H  
HETATM   88  H   UNL     1       9.903   5.259  -2.368  1.00  0.00           H  
HETATM   89  H   UNL     1       0.708  -5.413   0.145  1.00  0.00           H  
CONECT    1   39    2                                                 
CONECT    2    1    3   55   56                                       
CONECT    3    2    5    4   57                                       
CONECT    4    3    9                                                 
CONECT    5    3    6    7   58                                       
CONECT    6    5   59                                                 
CONECT    7    5    8    9   60                                       
CONECT    8    7   61                                                 
CONECT    9    4    7   42   62                                       
CONECT   10   28   28                                                 
CONECT   11   17   12   63                                            
CONECT   12   11   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   64                                            
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   11   15   28   18                                       
CONECT   18   17   19   65                                            
CONECT   19   18   26   26   20                                       
CONECT   20   19   21   21   66                                       
CONECT   21   20   20   23   22                                       
CONECT   22   21   67   68   69                                       
CONECT   23   21   24   25   25                                       
CONECT   24   23   70   71   72                                       
CONECT   25   23   23   26   73                                       
CONECT   26   19   19   25   27                                       
CONECT   27   26   29   28                                            
CONECT   28   10   10   17   27                                       
CONECT   29   27   30   74   75                                       
CONECT   30   29   32   31   76                                       
CONECT   31   30   77                                                 
CONECT   32   30   33   34   78                                       
CONECT   33   32   79                                                 
CONECT   34   32   35   36   80                                       
CONECT   35   34   81                                                 
CONECT   36   34   37   82   83                                       
CONECT   37   36   38                                                 
CONECT   38   37   52   53   53                                       
CONECT   38   54                                                      
CONECT   39    1   41   41   40                                       
CONECT   39   52                                                      
CONECT   40   39   84                                                 
CONECT   41   39   39                                                 
CONECT   42    9   51   43                                            
CONECT   43   42   44   44   85                                       
CONECT   44   43   43   45                                            
CONECT   45   44   51   46   46                                       
CONECT   46   45   45   48   47                                       
CONECT   47   46   86   87                                            
CONECT   48   46   49   49                                            
CONECT   49   48   48   50   88                                       
CONECT   50   49   51   51                                            
CONECT   51   42   45   50   50                                       
CONECT   52   38   39                                                 
CONECT   53   38   38                                                 
CONECT   54   38   89                                                 
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   14                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   40                                                      
CONECT   85   43                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   49                                                      
CONECT   89   54                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
