COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.180   2.982  -0.014  1.00  0.00           O  
HETATM    2  O   UNL     1      -2.280   0.708  -0.159  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.620   0.101  -1.911  1.00  0.00           O  
HETATM    4  N   UNL     1       5.462  -1.429  -0.503  1.00  0.00           N  
HETATM    5  C   UNL     1       2.183   3.324  -1.330  1.00  0.00           C  
HETATM    6  C   UNL     1       2.527   5.529  -0.452  1.00  0.00           C  
HETATM    7  C   UNL     1       1.104   3.697  -0.338  1.00  0.00           C  
HETATM    8  C   UNL     1       3.204   2.386  -0.683  1.00  0.00           C  
HETATM    9  C   UNL     1       2.542   1.039  -0.385  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.428  -4.277  -1.371  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.355  -5.135  -0.698  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.077  -4.312  -0.526  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.757   1.102  -1.934  1.00  0.00           C  
HETATM   14  C   UNL     1       2.842   4.673  -1.699  1.00  0.00           C  
HETATM   15  N   UNL     1       1.318   4.938   0.133  1.00  0.00           N  
HETATM   16  C   UNL     1       3.587   0.055   0.074  1.00  0.00           C  
HETATM   17  C   UNL     1       4.527  -0.549  -0.914  1.00  0.00           C  
HETATM   18  O   UNL     1       4.449  -0.249  -2.087  1.00  0.00           O  
HETATM   19  N   UNL     1       1.538   1.211   0.668  1.00  0.00           N  
HETATM   20  C   UNL     1       0.532   0.322   0.791  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.431   0.430   1.945  1.00  0.00           C  
HETATM   22  O   UNL     1       0.402  -0.564  -0.026  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.631  -0.371   1.668  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.731  -1.439   2.677  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.938  -0.925   3.900  1.00  0.00           C  
HETATM   26  C   UNL     1       0.220  -0.129   3.222  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.768   0.180   4.590  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.729   1.210   5.074  1.00  0.00           C  
HETATM   29  C   UNL     1       0.517   1.026   4.193  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.499  -0.162   0.658  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.740  -1.008   0.543  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.445  -2.231  -0.328  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.723  -3.054  -0.500  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.372  -3.089   0.345  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.813  -0.220  -0.068  1.00  0.00           N  
HETATM   36  C   UNL     1       6.388  -2.018  -1.472  1.00  0.00           C  
HETATM   37  C   UNL     1       7.626  -1.112  -1.639  1.00  0.00           C  
HETATM   38  C   UNL     1       8.674  -1.720  -0.674  1.00  0.00           C  
HETATM   39  C   UNL     1       8.434  -3.243  -0.824  1.00  0.00           C  
HETATM   40  C   UNL     1       6.902  -3.373  -0.954  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.653   0.292  -1.304  1.00  0.00           C  
HETATM   42  F   UNL     1      -5.359   1.522  -3.207  1.00  0.00           F  
HETATM   43  F   UNL     1      -6.910   0.317  -2.040  1.00  0.00           F  
HETATM   44  F   UNL     1      -6.027   2.220  -1.137  1.00  0.00           F  
HETATM   45  O   UNL     1       3.664  -0.243   1.242  1.00  0.00           O  
HETATM   46  H   UNL     1       5.524  -1.668   0.435  1.00  0.00           H  
HETATM   47  H   UNL     1       1.745   2.859  -2.213  1.00  0.00           H  
HETATM   48  H   UNL     1       3.353   5.480   0.258  1.00  0.00           H  
HETATM   49  H   UNL     1       2.340   6.563  -0.741  1.00  0.00           H  
HETATM   50  H   UNL     1       4.042   2.236  -1.363  1.00  0.00           H  
HETATM   51  H   UNL     1       3.565   2.826   0.247  1.00  0.00           H  
HETATM   52  H   UNL     1       2.061   0.663  -1.288  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.072  -3.950  -2.348  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.339  -4.864  -1.494  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.711  -5.463   0.278  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.145  -6.006  -1.319  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.313  -4.924  -0.047  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.721  -3.985  -1.503  1.00  0.00           H  
HETATM   59  H   UNL     1       3.918   4.558  -1.832  1.00  0.00           H  
HETATM   60  H   UNL     1       2.384   5.100  -2.591  1.00  0.00           H  
HETATM   61  H   UNL     1       0.747   5.385   0.777  1.00  0.00           H  
HETATM   62  H   UNL     1       1.596   1.964   1.276  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.710   1.472   2.098  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.774  -1.607   2.947  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.287  -2.359   2.297  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.614  -1.717   4.576  1.00  0.00           H  
HETATM   67  H   UNL     1       1.093  -0.747   3.013  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.454   0.639   3.879  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.318  -0.231   5.437  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.122   2.220   4.957  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.479   1.026   6.118  1.00  0.00           H  
HETATM   72  H   UNL     1       1.378   0.777   4.814  1.00  0.00           H  
HETATM   73  H   UNL     1       0.714   1.941   3.632  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.050  -1.335   1.536  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.089  -1.903  -1.304  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.488  -2.443  -0.979  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.079  -3.381   0.477  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.728  -3.416   1.322  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.462  -2.502   0.468  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.639  -0.067   0.417  1.00  0.00           H  
HETATM   81  H   UNL     1       5.890  -2.150  -2.433  1.00  0.00           H  
HETATM   82  H   UNL     1       7.988  -1.146  -2.666  1.00  0.00           H  
HETATM   83  H   UNL     1       7.390  -0.087  -1.352  1.00  0.00           H  
HETATM   84  H   UNL     1       9.685  -1.457  -0.986  1.00  0.00           H  
HETATM   85  H   UNL     1       8.489  -1.399   0.350  1.00  0.00           H  
HETATM   86  H   UNL     1       8.926  -3.621  -1.720  1.00  0.00           H  
HETATM   87  H   UNL     1       8.788  -3.774   0.060  1.00  0.00           H  
HETATM   88  H   UNL     1       6.462  -3.592   0.019  1.00  0.00           H  
HETATM   89  H   UNL     1       6.653  -4.163  -1.663  1.00  0.00           H  
CONECT    1    7    7                                                 
CONECT    2   30   30                                                 
CONECT    3   41   41                                                 
CONECT    4   36   17   46                                            
CONECT    5    8   14    7   47                                       
CONECT    6   14   15   48   49                                       
CONECT    7    5   15    1    1                                       
CONECT    8    9    5   50   51                                       
CONECT    9   16   19    8   52                                       
CONECT   10   33   11   53   54                                       
CONECT   11   12   10   55   56                                       
CONECT   12   34   11   57   58                                       
CONECT   13   41   44   42   43                                       
CONECT   14    5    6   59   60                                       
CONECT   15    6    7   61                                            
CONECT   16   17   45   45    9                                       
CONECT   17    4   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19    9   20   62                                            
CONECT   20   22   22   19   21                                       
CONECT   21   26   20   23   63                                       
CONECT   22   20   20                                                 
CONECT   23   24   21   30                                            
CONECT   24   25   23   64   65                                       
CONECT   25   26   24   27   66                                       
CONECT   26   29   25   21   67                                       
CONECT   27   25   28   68   69                                       
CONECT   28   29   27   70   71                                       
CONECT   29   26   28   72   73                                       
CONECT   30   23    2    2   31                                       
CONECT   31   30   32   35   74                                       
CONECT   32   34   31   33   75                                       
CONECT   33   32   10   76   77                                       
CONECT   34   12   32   78   79                                       
CONECT   35   31   41   80                                            
CONECT   36   37   40    4   81                                       
CONECT   37   38   36   82   83                                       
CONECT   38   37   39   84   85                                       
CONECT   39   38   40   86   87                                       
CONECT   40   39   36   88   89                                       
CONECT   41    3    3   35   13                                       
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   16   16                                                 
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
