COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.654  -0.899  -0.188  1.00  0.00           C  
HETATM    2  C   UNL     1       2.969  -2.257  -0.354  1.00  0.00           C  
HETATM    3  C   UNL     1       5.172  -1.087  -0.208  1.00  0.00           C  
HETATM    4  C   UNL     1       1.456  -2.055  -0.459  1.00  0.00           C  
HETATM    5  C   UNL     1       3.235  -0.276   1.146  1.00  0.00           C  
HETATM    6  C   UNL     1       5.857   0.281  -0.167  1.00  0.00           C  
HETATM    7  C   UNL     1       0.781  -3.393  -0.623  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.077  -3.808   0.275  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.271  -3.027   1.549  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.439  -2.054   1.377  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.870  -5.067   0.035  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.634  -1.272   2.651  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.508   0.032   2.646  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.014   0.736   1.408  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.209   1.187   0.567  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.715   1.891  -0.671  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.979   1.397  -1.855  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.857   0.828   3.877  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.718   0.090  -1.978  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.218   0.363  -2.111  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.542   2.135  -3.094  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.958  -0.944  -2.234  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.847  -1.281  -1.332  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.057  -0.412  -0.119  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.659  -2.538  -1.508  1.00  0.00           C  
HETATM   26  O   UNL     1       7.274   0.105  -0.186  1.00  0.00           O  
HETATM   27  O   UNL     1       8.154   2.207  -1.499  1.00  0.00           O  
HETATM   28  O   UNL     1       8.028   2.189   1.022  1.00  0.00           O  
HETATM   29  O   UNL     1       9.815   0.769  -0.054  1.00  0.00           O  
HETATM   30  P   UNL     1       8.311   1.336  -0.154  1.00  0.00           P  
HETATM   31  H   UNL     1       3.359  -0.240  -1.005  1.00  0.00           H  
HETATM   32  H   UNL     1       3.335  -2.739  -1.260  1.00  0.00           H  
HETATM   33  H   UNL     1       3.193  -2.885   0.508  1.00  0.00           H  
HETATM   34  H   UNL     1       5.477  -1.672   0.659  1.00  0.00           H  
HETATM   35  H   UNL     1       5.461  -1.611  -1.120  1.00  0.00           H  
HETATM   36  H   UNL     1       1.090  -1.572   0.447  1.00  0.00           H  
HETATM   37  H   UNL     1       1.232  -1.427  -1.321  1.00  0.00           H  
HETATM   38  H   UNL     1       3.531  -0.935   1.962  1.00  0.00           H  
HETATM   39  H   UNL     1       3.723   0.691   1.264  1.00  0.00           H  
HETATM   40  H   UNL     1       2.154  -0.142   1.160  1.00  0.00           H  
HETATM   41  H   UNL     1       5.551   0.866  -1.035  1.00  0.00           H  
HETATM   42  H   UNL     1       5.568   0.804   0.744  1.00  0.00           H  
HETATM   43  H   UNL     1       1.006  -4.009  -1.481  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.488  -3.714   2.367  1.00  0.00           H  
HETATM   45  H   UNL     1       0.637  -2.468   1.775  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.222  -1.367   0.559  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.348  -2.612   1.151  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.321  -5.923   0.429  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.834  -4.991   0.538  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.028  -5.198  -1.036  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.877  -1.787   3.569  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.423   1.605   1.696  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.396   0.054   0.825  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.800   0.318   0.279  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.827   1.870   1.151  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.143   2.803  -0.581  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.974   0.927   4.508  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.207   1.817   3.582  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.643   0.314   4.431  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.367  -0.444  -2.861  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.536  -0.516  -1.090  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.569   0.898  -1.228  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.400   0.969  -2.999  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.543   1.806  -3.380  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.239   1.928  -3.905  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.528   3.207  -2.892  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.755  -1.602  -3.065  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.321  -1.036   0.734  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.139   0.134   0.100  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.138  -3.375  -1.044  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.633  -2.410  -1.037  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.793  -2.738  -2.572  1.00  0.00           H  
HETATM   73  H   UNL     1       8.326   1.710  -2.311  1.00  0.00           H  
HETATM   74  H   UNL     1      10.494   1.457  -0.030  1.00  0.00           H  
HETATM   75  C   UNL     1      -7.187   0.582  -0.394  1.00  0.00           C  
HETATM   76  C   UNL     1      -7.397   1.452   0.819  1.00  0.00           C  
HETATM   77  C   UNL     1      -7.153   2.737   0.754  1.00  0.00           C  
HETATM   78  H   UNL     1      -6.923   1.207  -1.247  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.105   0.037  -0.614  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.749   1.015   1.742  1.00  0.00           H  
HETATM   81  C   UNL     1      -6.504   3.319  -0.475  1.00  0.00           C  
HETATM   82  C   UNL     1      -7.522   3.634   1.908  1.00  0.00           C  
HETATM   83  H   UNL     1      -6.213   2.513  -1.149  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.209   3.979  -0.981  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.620   3.887  -0.185  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.684   3.695   2.602  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.757   4.630   1.533  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.391   3.224   2.422  1.00  0.00           H  
CONECT    1    5    3    2   31                                       
CONECT    2    1    4   32   33                                       
CONECT    3    6    1   34   35                                       
CONECT    4    2    7   36   37                                       
CONECT    5    1   38   39   40                                       
CONECT    6   26    3   41   42                                       
CONECT    7    4    8    8   43                                       
CONECT    8    7    7    9   11                                       
CONECT    9    8   10   44   45                                       
CONECT   10   12    9   46   47                                       
CONECT   11    8   48   49   50                                       
CONECT   12   13   13   10   51                                       
CONECT   13   18   12   12   14                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   17   56                                       
CONECT   17   16   16   19   21                                       
CONECT   18   13   57   58   59                                       
CONECT   19   17   20   60   61                                       
CONECT   20   22   19   62   63                                       
CONECT   21   17   64   65   66                                       
CONECT   22   23   23   20   67                                       
CONECT   23   25   22   22   24                                       
CONECT   24   23   68   69   75                                       
CONECT   25   23   70   71   72                                       
CONECT   26   30    6                                                 
CONECT   27   30   73                                                 
CONECT   28   30   30                                                 
CONECT   29   30   74                                                 
CONECT   30   28   28   29   27                                       
CONECT   30   26                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   24   76   78   79                                       
CONECT   76   75   77   77   80                                       
CONECT   77   76   76   81   82                                       
CONECT   78   75                                                      
CONECT   79   75                                                      
CONECT   80   76                                                      
CONECT   81   77   83   84   85                                       
CONECT   82   77   86   87   88                                       
CONECT   83   81                                                      
CONECT   84   81                                                      
CONECT   85   81                                                      
CONECT   86   82                                                      
CONECT   87   82                                                      
CONECT   88   82                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
