COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   1       2.721   2.775   2.891  1.00  0.00           O  
HETATM    2  C   UNK A   1       3.172   3.557   1.898  1.00  0.00           C  
HETATM    3  O   UNK A   1       2.658   4.631   1.693  1.00  0.00           O  
HETATM    4  C   UNK A   1       4.321   3.095   1.039  1.00  0.00           C  
HETATM    5  C   UNK A   1       4.636   4.164  -0.010  1.00  0.00           C  
HETATM    6  C   UNK A   1       5.802   3.694  -0.882  1.00  0.00           C  
HETATM    7  C   UNK A   1       6.032   4.689  -1.990  1.00  0.00           C  
HETATM    8  O   UNK A   1       5.053   4.952  -2.871  1.00  0.00           O  
HETATM    9  O   UNK A   1       7.097   5.251  -2.086  1.00  0.00           O  
HETATM   10  N   UNK A   1       7.015   3.587  -0.061  1.00  0.00           N  
HETATM   11  P   UNK A   1       7.974   2.300  -0.568  1.00  0.00           P  
HETATM   12  O   UNK A   1       9.184   2.222   0.280  1.00  0.00           O  
HETATM   13  O   UNK A   1       8.407   2.525  -2.102  1.00  0.00           O  
HETATM   14  O   UNK A   1       7.141   0.928  -0.442  1.00  0.00           O  
HETATM   15  C   UNK A   1       6.795   0.340   0.814  1.00  0.00           C  
HETATM   16  C   UNK A   1       6.009  -0.950   0.574  1.00  0.00           C  
HETATM   17  C   UNK A   1       5.638  -1.579   1.919  1.00  0.00           C  
HETATM   18  C   UNK A   1       4.852  -2.869   1.679  1.00  0.00           C  
HETATM   19  C   UNK A   1       4.592  -3.552   2.997  1.00  0.00           C  
HETATM   20  O   UNK A   1       5.622  -3.938   3.767  1.00  0.00           O  
HETATM   21  O   UNK A   1       3.458  -3.752   3.361  1.00  0.00           O  
HETATM   22  N   UNK A   1       3.575  -2.551   1.034  1.00  0.00           N  
HETATM   23  C   UNK A   1       2.950  -3.479   0.283  1.00  0.00           C  
HETATM   24  O   UNK A   1       3.443  -4.578   0.141  1.00  0.00           O  
HETATM   25  C   UNK A   1       1.637  -3.152  -0.380  1.00  0.00           C  
HETATM   26  C   UNK A   1       1.145  -4.369  -1.166  1.00  0.00           C  
HETATM   27  C   UNK A   1      -0.189  -4.036  -1.839  1.00  0.00           C  
HETATM   28  C   UNK A   1      -0.612  -5.190  -2.711  1.00  0.00           C  
HETATM   29  O   UNK A   1       0.172  -5.588  -3.725  1.00  0.00           O  
HETATM   30  O   UNK A   1      -1.658  -5.756  -2.498  1.00  0.00           O  
HETATM   31  N   UNK A   1      -1.208  -3.799  -0.814  1.00  0.00           N  
HETATM   32  C   UNK A   0      -2.277  -3.028  -1.092  1.00  0.00           C  
HETATM   33  O   UNK A   0      -2.396  -2.530  -2.191  1.00  0.00           O  
HETATM   34  C   UNK A   0      -3.325  -2.784  -0.037  1.00  0.00           C  
HETATM   35  C   UNK A   0      -4.423  -1.883  -0.607  1.00  0.00           C  
HETATM   36  C   UNK A   0      -5.487  -1.635   0.463  1.00  0.00           C  
HETATM   37  C   UNK A   0      -6.584  -0.734  -0.106  1.00  0.00           C  
HETATM   38  C   UNK A   0      -7.648  -0.487   0.964  1.00  0.00           C  
HETATM   39  N   UNK A   0      -8.699   0.376   0.419  1.00  0.00           N  
HETATM   40  C   UNK A   0      -9.748   0.730   1.188  1.00  0.00           C  
HETATM   41  O   UNK A   0      -9.821   0.334   2.335  1.00  0.00           O  
HETATM   42  C   UNK A   0     -10.807   1.600   0.637  1.00  0.00           C  
HETATM   43  C   UNK A   0     -10.727   2.053  -0.681  1.00  0.00           C  
HETATM   44  C   UNK A   0     -11.718   2.865  -1.190  1.00  0.00           C  
HETATM   45  C   UNK A   0     -12.793   3.233  -0.394  1.00  0.00           C  
HETATM   46  F   UNK A   0     -13.761   4.028  -0.898  1.00  0.00           F  
HETATM   47  C   UNK A   0     -12.877   2.786   0.915  1.00  0.00           C  
HETATM   48  C   UNK A   0     -11.894   1.969   1.432  1.00  0.00           C  
HETATM   49  H   UNK A   1       1.982   3.114   3.415  1.00  0.00           H  
HETATM   50  H   UNK A   1       5.199   2.929   1.664  1.00  0.00           H  
HETATM   51  H   UNK A   1       4.050   2.164   0.539  1.00  0.00           H  
HETATM   52  H   UNK A   1       3.758   4.329  -0.635  1.00  0.00           H  
HETATM   53  H   UNK A   1       4.907   5.094   0.489  1.00  0.00           H  
HETATM   54  H   UNK A   1       5.566   2.721  -1.311  1.00  0.00           H  
HETATM   55  H   UNK A   1       5.248   5.597  -3.564  1.00  0.00           H  
HETATM   56  H   UNK A   1       7.536   4.451  -0.070  1.00  0.00           H  
HETATM   57  H   UNK A   1       7.663   2.586  -2.717  1.00  0.00           H  
HETATM   58  H   UNK A   1       7.703   0.114   1.372  1.00  0.00           H  
HETATM   59  H   UNK A   1       6.182   1.038   1.385  1.00  0.00           H  
HETATM   60  H   UNK A   1       5.101  -0.724   0.016  1.00  0.00           H  
HETATM   61  H   UNK A   1       6.622  -1.648   0.004  1.00  0.00           H  
HETATM   62  H   UNK A   1       6.546  -1.805   2.477  1.00  0.00           H  
HETATM   63  H   UNK A   1       5.025  -0.881   2.489  1.00  0.00           H  
HETATM   64  H   UNK A   1       5.429  -3.532   1.034  1.00  0.00           H  
HETATM   65  H   UNK A   1       5.406  -4.372   4.603  1.00  0.00           H  
HETATM   66  H   UNK A   1       3.180  -1.672   1.148  1.00  0.00           H  
HETATM   67  H   UNK A   1       0.901  -2.889   0.380  1.00  0.00           H  
HETATM   68  H   UNK A   1       1.773  -2.311  -1.060  1.00  0.00           H  
HETATM   69  H   UNK A   1       1.880  -4.632  -1.926  1.00  0.00           H  
HETATM   70  H   UNK A   1       1.009  -5.210  -0.486  1.00  0.00           H  
HETATM   71  H   UNK A   1      -0.073  -3.141  -2.451  1.00  0.00           H  
HETATM   72  H   UNK A   1      -0.141  -6.333  -4.257  1.00  0.00           H  
HETATM   73  H   UNK A   1      -1.113  -4.198   0.066  1.00  0.00           H  
HETATM   74  H   UNK A   0      -3.760  -3.735   0.270  1.00  0.00           H  
HETATM   75  H   UNK A   0      -2.868  -2.299   0.825  1.00  0.00           H  
HETATM   76  H   UNK A   0      -3.988  -0.932  -0.914  1.00  0.00           H  
HETATM   77  H   UNK A   0      -4.880  -2.368  -1.469  1.00  0.00           H  
HETATM   78  H   UNK A   0      -5.921  -2.587   0.771  1.00  0.00           H  
HETATM   79  H   UNK A   0      -5.029  -1.150   1.325  1.00  0.00           H  
HETATM   80  H   UNK A   0      -6.150   0.217  -0.414  1.00  0.00           H  
HETATM   81  H   UNK A   0      -7.042  -1.220  -0.968  1.00  0.00           H  
HETATM   82  H   UNK A   0      -8.083  -1.438   1.272  1.00  0.00           H  
HETATM   83  H   UNK A   0      -7.191  -0.001   1.826  1.00  0.00           H  
HETATM   84  H   UNK A   0      -8.640   0.693  -0.496  1.00  0.00           H  
HETATM   85  H   UNK A   0      -9.890   1.768  -1.302  1.00  0.00           H  
HETATM   86  H   UNK A   0     -11.658   3.215  -2.210  1.00  0.00           H  
HETATM   87  H   UNK A   0     -13.716   3.076   1.531  1.00  0.00           H  
HETATM   88  H   UNK A   0     -11.963   1.618   2.451  1.00  0.00           H  
CONECT    1    2   49                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   50   51                                       
CONECT    5    4    6   52   53                                       
CONECT    6    7    5   10   54                                       
CONECT    7    9    9    8    6                                       
CONECT    8    7   55                                                 
CONECT    9    7    7                                                 
CONECT   10    6   11   56                                            
CONECT   11   12   12   10   14                                       
CONECT   11   13                                                      
CONECT   12   11   11                                                 
CONECT   13   11   57                                                 
CONECT   14   15   11                                                 
CONECT   15   16   14   58   59                                       
CONECT   16   17   15   60   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   22   19   64                                       
CONECT   19   18   21   21   20                                       
CONECT   20   19   65                                                 
CONECT   21   19   19                                                 
CONECT   22   18   23   66                                            
CONECT   23   22   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   67   68                                       
CONECT   26   27   25   69   70                                       
CONECT   27   28   26   31   71                                       
CONECT   28   30   30   29   27                                       
CONECT   29   28   72                                                 
CONECT   30   28   28                                                 
CONECT   31   27   32   73                                            
CONECT   32   33   33   31   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   74   75                                       
CONECT   35   34   36   76   77                                       
CONECT   36   35   37   78   79                                       
CONECT   37   36   38   80   81                                       
CONECT   38   37   39   82   83                                       
CONECT   39   38   40   84                                            
CONECT   40   39   42   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   43   40   48   48                                       
CONECT   43   44   44   42   85                                       
CONECT   44   43   43   45   86                                       
CONECT   45   44   46   47   47                                       
CONECT   46   45                                                      
CONECT   47   45   45   48   87                                       
CONECT   48   42   42   47   88                                       
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
