COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.779  -4.810   0.184  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.749  -3.310  -0.119  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.321  -2.890  -0.475  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.638  -3.023  -1.247  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.398  -3.652  -2.548  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.263  -4.908  -2.675  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.677  -2.179  -1.088  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.347  -1.852  -2.049  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.002  -1.654   0.251  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.212  -2.531   1.318  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.516  -2.033   2.569  1.00  0.00           C  
HETATM   12  F   UNL     1      -5.718  -2.881   3.600  1.00  0.00           F  
HETATM   13  C   UNL     1      -5.614  -0.664   2.770  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.409   0.213   1.724  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.097  -0.271   0.462  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.890   0.590  -0.566  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.101   1.914  -0.342  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.335   2.491  -0.596  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.502   3.785  -0.365  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.517   4.525   0.101  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.326   4.021   0.358  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.078   2.731   0.159  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.824   2.204   0.431  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.999   2.144  -0.791  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.910   3.247   0.934  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.821   2.635   0.051  1.00  0.00           C  
HETATM   27  C   UNL     1       0.064   3.661  -0.652  1.00  0.00           C  
HETATM   28  C   UNL     1       1.003   2.931  -1.618  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.026   1.519   0.723  1.00  0.00           C  
HETATM   30  C   UNL     1       0.918   0.889  -0.308  1.00  0.00           C  
HETATM   31  N   UNL     1       1.783   1.930  -0.878  1.00  0.00           N  
HETATM   32  C   UNL     1       2.825   1.340  -1.730  1.00  0.00           C  
HETATM   33  C   UNL     1       3.773   0.504  -0.869  1.00  0.00           C  
HETATM   34  C   UNL     1       4.841  -0.135  -1.760  1.00  0.00           C  
HETATM   35  C   UNL     1       5.790  -0.971  -0.899  1.00  0.00           C  
HETATM   36  C   UNL     1       4.447   1.403   0.170  1.00  0.00           C  
HETATM   37  C   UNL     1       5.396   0.567   1.030  1.00  0.00           C  
HETATM   38  C   UNL     1       6.463  -0.072   0.140  1.00  0.00           C  
HETATM   39  N   UNL     1       7.372  -0.873   0.964  1.00  0.00           N  
HETATM   40  S   UNL     1       8.980  -0.961   0.578  1.00  0.00           S  
HETATM   41  O   UNL     1       9.529  -1.827   1.561  1.00  0.00           O  
HETATM   42  O   UNL     1       8.991  -1.314  -0.799  1.00  0.00           O  
HETATM   43  C   UNL     1       9.593   0.732   0.805  1.00  0.00           C  
HETATM   44  C   UNL     1      11.086   0.781   0.475  1.00  0.00           C  
HETATM   45  H   UNL     1      -3.796  -5.109   0.438  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.444  -5.365  -0.692  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.117  -5.024   1.024  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.083  -2.756   0.758  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.987  -3.445  -1.351  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.300  -1.822  -0.691  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.660  -3.104   0.365  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.654  -2.952  -3.343  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.346  -3.925  -2.631  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.006  -5.608  -1.880  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.314  -4.634  -2.593  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.084  -5.376  -3.643  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.137  -3.597   1.164  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.852  -0.281   3.752  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.488   1.277   1.888  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.149   1.893  -0.978  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.689   5.577   0.277  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.866   1.133  -1.177  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.309   2.852  -1.560  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.195   4.256   0.635  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.702   3.165   2.001  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.560   4.360  -1.208  1.00  0.00           H  
HETATM   67  H   UNL     1       0.651   4.204   0.089  1.00  0.00           H  
HETATM   68  H   UNL     1       0.416   2.435  -2.391  1.00  0.00           H  
HETATM   69  H   UNL     1       1.680   3.650  -2.080  1.00  0.00           H  
HETATM   70  H   UNL     1       0.557   1.931   1.546  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.710   0.762   1.103  1.00  0.00           H  
HETATM   72  H   UNL     1       1.533   0.132   0.178  1.00  0.00           H  
HETATM   73  H   UNL     1       0.332   0.427  -1.102  1.00  0.00           H  
HETATM   74  H   UNL     1       2.361   0.703  -2.483  1.00  0.00           H  
HETATM   75  H   UNL     1       3.385   2.135  -2.221  1.00  0.00           H  
HETATM   76  H   UNL     1       3.209  -0.278  -0.361  1.00  0.00           H  
HETATM   77  H   UNL     1       4.361  -0.776  -2.499  1.00  0.00           H  
HETATM   78  H   UNL     1       5.405   0.647  -2.267  1.00  0.00           H  
HETATM   79  H   UNL     1       5.226  -1.753  -0.391  1.00  0.00           H  
HETATM   80  H   UNL     1       6.550  -1.426  -1.533  1.00  0.00           H  
HETATM   81  H   UNL     1       5.011   2.185  -0.338  1.00  0.00           H  
HETATM   82  H   UNL     1       3.686   1.858   0.804  1.00  0.00           H  
HETATM   83  H   UNL     1       5.875   1.208   1.770  1.00  0.00           H  
HETATM   84  H   UNL     1       4.831  -0.215   1.538  1.00  0.00           H  
HETATM   85  H   UNL     1       7.028   0.710  -0.368  1.00  0.00           H  
HETATM   86  H   UNL     1       7.031  -1.351   1.736  1.00  0.00           H  
HETATM   87  H   UNL     1       9.052   1.406   0.142  1.00  0.00           H  
HETATM   88  H   UNL     1       9.439   1.038   1.840  1.00  0.00           H  
HETATM   89  H   UNL     1      11.627   0.106   1.138  1.00  0.00           H  
HETATM   90  H   UNL     1      11.240   0.475  -0.559  1.00  0.00           H  
HETATM   91  H   UNL     1      11.455   1.798   0.612  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    4    3   48                                       
CONECT    3    2   49   50   51                                       
CONECT    4    5    2    7                                            
CONECT    5    6    4   52   53                                       
CONECT    6    5   54   55   56                                       
CONECT    7    4    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   15   15   10                                       
CONECT   10    9   11   11   57                                       
CONECT   11   10   10   13   12                                       
CONECT   12   11                                                      
CONECT   13   14   14   11   58                                       
CONECT   14   15   13   13   59                                       
CONECT   15   16    9    9   14                                       
CONECT   16   17   15                                                 
CONECT   17   22   22   18   16                                       
CONECT   18   19   19   17   60                                       
CONECT   19   20   18   18                                            
CONECT   20   21   21   19   61                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   17   17                                       
CONECT   23   24   22   25                                            
CONECT   24   23   26   62   63                                       
CONECT   25   23   26   64   65                                       
CONECT   26   24   29   27   25                                       
CONECT   27   28   26   66   67                                       
CONECT   28   31   27   68   69                                       
CONECT   29   30   26   70   71                                       
CONECT   30   31   29   72   73                                       
CONECT   31   32   30   28                                            
CONECT   32   33   31   74   75                                       
CONECT   33   36   32   34   76                                       
CONECT   34   33   35   77   78                                       
CONECT   35   38   34   79   80                                       
CONECT   36   37   33   81   82                                       
CONECT   37   36   38   83   84                                       
CONECT   38   37   39   35   85                                       
CONECT   39   38   40   86                                            
CONECT   40   41   41   39   42                                       
CONECT   40   42   43                                                 
CONECT   41   40   40                                                 
CONECT   42   40   40                                                 
CONECT   43   40   44   87   88                                       
CONECT   44   43   89   90   91                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57   10                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
