COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.981  -2.434   0.309  1.00  0.00           N  
HETATM    2  C   UNL     1       7.945  -1.560  -0.030  1.00  0.00           C  
HETATM    3  C   UNL     1       5.778  -1.179  -0.983  1.00  0.00           C  
HETATM    4  C   UNL     1       5.893   0.170  -0.702  1.00  0.00           C  
HETATM    5  C   UNL     1       7.030   0.656  -0.081  1.00  0.00           C  
HETATM    6  C   UNL     1       3.761   2.346   1.203  1.00  0.00           C  
HETATM    7  C   UNL     1       4.081   1.643   2.523  1.00  0.00           C  
HETATM    8  C   UNL     1       5.388   0.860   2.381  1.00  0.00           C  
HETATM    9  C   UNL     1       4.231   2.687   3.633  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.737  -5.754   1.115  1.00  0.00           C  
HETATM   11  C   UNL     1       6.800  -2.045  -0.649  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.990  -4.768   0.112  1.00  0.00           O  
HETATM   13  C   UNL     1       8.056  -0.205   0.256  1.00  0.00           C  
HETATM   14  O   UNL     1       5.177   2.562  -1.252  1.00  0.00           O  
HETATM   15  S   UNL     1       4.590   1.273  -1.138  1.00  0.00           S  
HETATM   16  O   UNL     1       3.872   0.650  -2.193  1.00  0.00           O  
HETATM   17  N   UNL     1       3.556   1.344   0.154  1.00  0.00           N  
HETATM   18  C   UNL     1       2.436   0.404   0.247  1.00  0.00           C  
HETATM   19  C   UNL     1       1.153   1.091  -0.225  1.00  0.00           C  
HETATM   20  O   UNL     1       1.273   1.425  -1.609  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.034   0.145  -0.029  1.00  0.00           C  
HETATM   22  C   UNL     1       0.131  -1.074  -0.938  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.972  -2.062  -0.658  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.795  -3.039   0.306  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.161  -1.988  -1.359  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.173  -2.893  -1.104  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.996  -3.877  -0.142  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.247   2.597  -1.996  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.804  -3.946   0.564  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.276   0.844  -0.368  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.444   0.444   0.174  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.466  -0.496   0.944  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.585   1.086  -0.138  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.805   0.600   0.483  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.022   1.336   1.807  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.966   0.827  -0.459  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.089   2.309  -0.878  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.583   2.397  -1.272  1.00  0.00           C  
HETATM   39  O   UNL     1      -8.262   1.304  -0.640  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.335   0.581   0.204  1.00  0.00           C  
HETATM   41  O   UNL     1      -7.396   1.200   1.490  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.354   0.858   2.399  1.00  0.00           C  
HETATM   43  H   UNL     1       9.778  -2.094   0.745  1.00  0.00           H  
HETATM   44  H   UNL     1       8.901  -3.380   0.113  1.00  0.00           H  
HETATM   45  H   UNL     1       4.889  -1.555  -1.468  1.00  0.00           H  
HETATM   46  H   UNL     1       7.117   1.710   0.137  1.00  0.00           H  
HETATM   47  H   UNL     1       2.855   2.941   1.318  1.00  0.00           H  
HETATM   48  H   UNL     1       4.590   2.997   0.926  1.00  0.00           H  
HETATM   49  H   UNL     1       3.272   0.958   2.776  1.00  0.00           H  
HETATM   50  H   UNL     1       6.210   1.554   2.207  1.00  0.00           H  
HETATM   51  H   UNL     1       5.575   0.297   3.295  1.00  0.00           H  
HETATM   52  H   UNL     1       5.309   0.172   1.539  1.00  0.00           H  
HETATM   53  H   UNL     1       3.300   3.245   3.734  1.00  0.00           H  
HETATM   54  H   UNL     1       4.459   2.186   4.574  1.00  0.00           H  
HETATM   55  H   UNL     1       5.039   3.372   3.380  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.536  -5.261   2.066  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.610  -6.399   1.218  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.874  -6.353   0.826  1.00  0.00           H  
HETATM   59  H   UNL     1       6.710  -3.099  -0.869  1.00  0.00           H  
HETATM   60  H   UNL     1       8.943   0.174   0.741  1.00  0.00           H  
HETATM   61  H   UNL     1       2.636  -0.463  -0.382  1.00  0.00           H  
HETATM   62  H   UNL     1       2.317   0.083   1.282  1.00  0.00           H  
HETATM   63  H   UNL     1       0.993   2.000   0.356  1.00  0.00           H  
HETATM   64  H   UNL     1       1.417   0.663  -2.186  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.072  -0.180   1.011  1.00  0.00           H  
HETATM   66  H   UNL     1       0.079  -0.760  -1.981  1.00  0.00           H  
HETATM   67  H   UNL     1       1.096  -1.543  -0.747  1.00  0.00           H  
HETATM   68  H   UNL     1       0.133  -3.092   0.855  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.299  -1.222  -2.108  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.102  -2.834  -1.652  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.361   3.487  -2.356  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.664  -4.709   1.316  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.258   1.594  -0.983  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.707  -0.467   0.679  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.209   1.105   2.495  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.061   2.411   1.630  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.860   0.192  -1.339  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.866   2.971  -0.042  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.001   3.343  -0.926  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.685   2.320  -2.355  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.575  -0.482   0.246  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.328  -0.223   2.537  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.527   1.348   3.357  1.00  0.00           H  
CONECT    1    2   43   44                                            
CONECT    2    1   13   13   11                                       
CONECT    3   11   11    4   45                                       
CONECT    4    5    5    3   15                                       
CONECT    5   13    4    4   46                                       
CONECT    6   17    7   47   48                                       
CONECT    7    6    8    9   49                                       
CONECT    8    7   50   51   52                                       
CONECT    9    7   53   54   55                                       
CONECT   10   12   56   57   58                                       
CONECT   11    2    3    3   59                                       
CONECT   12   27   10                                                 
CONECT   13    2    2    5   60                                       
CONECT   14   15   15                                                 
CONECT   15    4   16   16   14                                       
CONECT   15   14   17                                                 
CONECT   16   15   15                                                 
CONECT   17   15    6   18                                            
CONECT   18   17   19   61   62                                       
CONECT   19   18   20   21   63                                       
CONECT   20   19   64                                                 
CONECT   21   19   22   30   65                                       
CONECT   22   21   23   66   67                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23   29   68                                       
CONECT   25   23   26   26   69                                       
CONECT   26   25   25   27   70                                       
CONECT   27   29   29   26   12                                       
CONECT   28   37   71                                                 
CONECT   29   24   27   27   72                                       
CONECT   30   21   31   73                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34                                                 
CONECT   34   33   35   36   74                                       
CONECT   35   34   42   75   76                                       
CONECT   36   34   37   40   77                                       
CONECT   37   38   36   28   78                                       
CONECT   38   37   39   79   80                                       
CONECT   39   38   40                                                 
CONECT   40   36   39   41   81                                       
CONECT   41   42   40                                                 
CONECT   42   35   41   82   83                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   40                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
