COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.639   0.000   4.791  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.152   2.711  -2.745  1.00  0.00           O  
HETATM    3  C   UNL     1       7.300   0.336  -0.273  1.00  0.00           C  
HETATM    4  C   UNL     1       8.704  -0.233  -0.057  1.00  0.00           C  
HETATM    5  C   UNL     1       9.723   0.908  -0.062  1.00  0.00           C  
HETATM    6  C   UNL     1      11.127   0.340   0.154  1.00  0.00           C  
HETATM    7  C   UNL     1      12.146   1.481   0.149  1.00  0.00           C  
HETATM    8  C   UNL     1      13.549   0.912   0.366  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.646   3.286   0.654  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.099   3.816   1.863  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.129   1.854   0.898  1.00  0.00           C  
HETATM   12  C   UNL     1       1.451  -1.933  -0.690  1.00  0.00           C  
HETATM   13  C   UNL     1       2.454  -0.809  -0.695  1.00  0.00           C  
HETATM   14  C   UNL     1       3.858  -1.378  -0.479  1.00  0.00           C  
HETATM   15  C   UNL     1       4.877  -0.237  -0.484  1.00  0.00           C  
HETATM   16  C   UNL     1       6.281  -0.805  -0.268  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.715   1.286  -0.396  1.00  0.00           C  
HETATM   18  C   UNL     1      14.568   2.053   0.360  1.00  0.00           C  
HETATM   19  C   UNL     1      15.972   1.485   0.577  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.157   2.714  -1.729  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.571   3.282  -0.434  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.639   1.283  -1.484  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.967  -2.500  -1.743  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.764  -2.800  -0.847  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.242  -3.049   0.585  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.529  -1.977   2.280  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.357  -0.837   2.816  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.798  -1.157   4.246  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.134   1.857   1.914  1.00  0.00           O  
HETATM   30  O   UNL     1       1.820  -3.072  -0.530  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.470   2.474  -0.014  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.166  -0.051  -0.168  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.539   0.474  -1.064  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.198  -1.947  -1.850  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.755  -0.448  -3.279  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.710  -1.410  -1.193  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.031  -1.916   1.035  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.314  -2.944   2.970  1.00  0.00           O  
HETATM   39  O   UNL     1       0.146  -1.669  -0.863  1.00  0.00           O  
HETATM   40  P   UNL     1      -4.044  -0.824  -1.877  1.00  0.00           P  
HETATM   41  H   UNL     1      -4.045   0.914   4.789  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.518   0.138   4.161  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.953  -0.228   5.809  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.800   3.587  -2.952  1.00  0.00           H  
HETATM   45  H   UNL     1       7.065   1.037   0.528  1.00  0.00           H  
HETATM   46  H   UNL     1       7.261   0.853  -1.232  1.00  0.00           H  
HETATM   47  H   UNL     1       8.743  -0.750   0.902  1.00  0.00           H  
HETATM   48  H   UNL     1       8.939  -0.934  -0.858  1.00  0.00           H  
HETATM   49  H   UNL     1       9.684   1.426  -1.020  1.00  0.00           H  
HETATM   50  H   UNL     1       9.487   1.609   0.739  1.00  0.00           H  
HETATM   51  H   UNL     1      11.165  -0.178   1.113  1.00  0.00           H  
HETATM   52  H   UNL     1      11.362  -0.361  -0.646  1.00  0.00           H  
HETATM   53  H   UNL     1      12.107   1.998  -0.809  1.00  0.00           H  
HETATM   54  H   UNL     1      11.910   2.182   0.950  1.00  0.00           H  
HETATM   55  H   UNL     1      13.588   0.395   1.324  1.00  0.00           H  
HETATM   56  H   UNL     1      13.785   0.211  -0.435  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.486   3.902   0.333  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.773   4.723   1.782  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.290   1.237   1.219  1.00  0.00           H  
HETATM   60  H   UNL     1       2.416  -0.292  -1.654  1.00  0.00           H  
HETATM   61  H   UNL     1       2.219  -0.108   0.106  1.00  0.00           H  
HETATM   62  H   UNL     1       3.897  -1.895   0.480  1.00  0.00           H  
HETATM   63  H   UNL     1       4.094  -2.079  -1.280  1.00  0.00           H  
HETATM   64  H   UNL     1       4.839   0.281  -1.443  1.00  0.00           H  
HETATM   65  H   UNL     1       4.642   0.464   0.317  1.00  0.00           H  
HETATM   66  H   UNL     1       6.516  -1.506  -1.069  1.00  0.00           H  
HETATM   67  H   UNL     1       6.320  -1.323   0.691  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.554   1.903  -0.717  1.00  0.00           H  
HETATM   69  H   UNL     1      14.530   2.571  -0.598  1.00  0.00           H  
HETATM   70  H   UNL     1      14.333   2.754   1.161  1.00  0.00           H  
HETATM   71  H   UNL     1      16.011   0.967   1.535  1.00  0.00           H  
HETATM   72  H   UNL     1      16.208   0.784  -0.224  1.00  0.00           H  
HETATM   73  H   UNL     1      16.698   2.298   0.573  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.996   3.331  -2.049  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.227   4.302  -0.608  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.057   0.878  -2.406  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.620  -2.236  -2.741  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.605  -3.382  -1.801  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.248  -3.687  -1.217  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.854  -3.951   0.612  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.380  -3.175   1.240  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.763   0.076   2.815  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.237  -0.700   2.187  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.919  -1.294   4.875  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.393  -2.070   4.247  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.832   2.206   2.765  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.049   2.776   0.802  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.850  -0.124   0.511  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.439  -2.241  -0.961  1.00  0.00           H  
CONECT    1   28   41   42   43                                       
CONECT    2   20   44                                                 
CONECT    3    4   16   45   46                                       
CONECT    4    5    3   47   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6    7    5   51   52                                       
CONECT    7    8    6   53   54                                       
CONECT    8   18    7   55   56                                       
CONECT    9   21   11   10   57                                       
CONECT   10    9   58                                                 
CONECT   11   17    9   29   59                                       
CONECT   12   13   30   30   39                                       
CONECT   13   14   12   60   61                                       
CONECT   14   15   13   62   63                                       
CONECT   15   16   14   64   65                                       
CONECT   16    3   15   66   67                                       
CONECT   17   22   32   11   68                                       
CONECT   18   19    8   69   70                                       
CONECT   19   18   71   72   73                                       
CONECT   20   22    2   21   74                                       
CONECT   21   20   31    9   75                                       
CONECT   22   33   20   17   76                                       
CONECT   23   24   36   77   78                                       
CONECT   24   39   25   23   79                                       
CONECT   25   37   24   80   81                                       
CONECT   26   27   37   38   38                                       
CONECT   27   28   26   82   83                                       
CONECT   28    1   27   84   85                                       
CONECT   29   11   86                                                 
CONECT   30   12   12                                                 
CONECT   31   21   87                                                 
CONECT   32   17   88                                                 
CONECT   33   40   22                                                 
CONECT   34   40   89                                                 
CONECT   35   40   40                                                 
CONECT   36   23   40                                                 
CONECT   37   26   25                                                 
CONECT   38   26   26                                                 
CONECT   39   12   24                                                 
CONECT   40   36   35   35   34                                       
CONECT   40   33                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   34                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
