COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -0.643   1.981   0.219  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.112   3.318  -0.059  1.00  0.00           C  
HETATM    3  C   UNL     1       0.100   0.815   0.263  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.211  -0.464   1.006  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.108   0.334   0.705  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.096  -0.068   2.568  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.576   0.157   1.146  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.521  -0.479   0.160  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.448  -1.387   0.580  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.316  -1.964  -0.357  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.227  -1.619  -1.663  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.460  -0.139  -1.203  1.00  0.00           C  
HETATM   13  C   UNL     1       1.556   0.683   0.037  1.00  0.00           C  
HETATM   14  C   UNL     1       2.459   1.279   0.919  1.00  0.00           C  
HETATM   15  C   UNL     1       3.816   1.153   0.703  1.00  0.00           C  
HETATM   16  C   UNL     1       4.284   0.437  -0.384  1.00  0.00           C  
HETATM   17  C   UNL     1       5.767   0.304  -0.613  1.00  0.00           C  
HETATM   18  C   UNL     1       8.148  -1.135  -0.164  1.00  0.00           C  
HETATM   19  C   UNL     1       3.394  -0.158  -1.264  1.00  0.00           C  
HETATM   20  C   UNL     1       2.033  -0.043  -1.056  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.841  -0.266   0.579  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.701  -1.645   0.755  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.796  -2.406   1.051  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.049  -1.820   1.176  1.00  0.00           C  
HETATM   25  F   UNL     1       3.857  -0.855  -2.324  1.00  0.00           F  
HETATM   26  N   UNL     1      -6.304  -0.715  -2.080  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.963   1.683   0.485  1.00  0.00           N  
HETATM   28  O   UNL     1      -4.635   0.672  -1.592  1.00  0.00           O  
HETATM   29  O   UNL     1       1.075   3.467  -0.281  1.00  0.00           O  
HETATM   30  OXT UNL     1      -0.939   4.384  -0.069  1.00  0.00           O  
HETATM   31  O   UNL     1       6.232  -0.983   1.641  1.00  0.00           O  
HETATM   32  O   UNL     1       5.802  -2.321  -0.368  1.00  0.00           O  
HETATM   33  S   UNL     1       6.380  -1.174   0.240  1.00  0.00           S  
HETATM   34  H   UNL     1      -4.412   0.393   3.281  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.084   0.382   2.669  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.161  -1.138   2.765  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.511   1.227   0.949  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.513  -1.658   1.623  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.054  -2.685  -0.038  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.898  -2.067  -2.381  1.00  0.00           H  
HETATM   41  H   UNL     1       2.096   1.838   1.768  1.00  0.00           H  
HETATM   42  H   UNL     1       4.515   1.614   1.385  1.00  0.00           H  
HETATM   43  H   UNL     1       5.964   0.215  -1.681  1.00  0.00           H  
HETATM   44  H   UNL     1       6.276   1.186  -0.223  1.00  0.00           H  
HETATM   45  H   UNL     1       8.646  -1.988   0.297  1.00  0.00           H  
HETATM   46  H   UNL     1       8.275  -1.182  -1.246  1.00  0.00           H  
HETATM   47  H   UNL     1       8.587  -0.211   0.213  1.00  0.00           H  
HETATM   48  H   UNL     1       1.339  -0.507  -1.741  1.00  0.00           H  
HETATM   49  H   UNL     1       0.270  -2.107   0.659  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.687  -3.472   1.186  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.905  -2.436   1.410  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.257  -0.476  -3.019  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.684   2.332   0.516  1.00  0.00           H  
HETATM   54  HXT UNL     1      -0.497   5.222  -0.262  1.00  0.00           H  
CONECT    1    2    3    3   27                                       
CONECT    2   29   29    1   30                                       
CONECT    3   13    1    1   21                                       
CONECT    4    5    5   24    7                                       
CONECT    5   21   27    4    4                                       
CONECT    6    7   34   35   36                                       
CONECT    7    4    8    6   37                                       
CONECT    8   12    7    9    9                                       
CONECT    9    8    8   10   38                                       
CONECT   10   11   11    9   39                                       
CONECT   11   26   10   10   40                                       
CONECT   12   28   28   26    8                                       
CONECT   13   14   14   20    3                                       
CONECT   14   15   13   13   41                                       
CONECT   15   16   16   14   42                                       
CONECT   16   17   15   15   19                                       
CONECT   17   33   16   43   44                                       
CONECT   18   33   45   46   47                                       
CONECT   19   16   25   20   20                                       
CONECT   20   19   19   13   48                                       
CONECT   21    3   22   22    5                                       
CONECT   22   21   21   23   49                                       
CONECT   23   22   24   24   50                                       
CONECT   24   23   23    4   51                                       
CONECT   25   19                                                      
CONECT   26   12   11   52                                            
CONECT   27    1    5   53                                            
CONECT   28   12   12                                                 
CONECT   29    2    2                                                 
CONECT   30    2   54                                                 
CONECT   31   33   33                                                 
CONECT   32   33   33                                                 
CONECT   33   31   31   32   32                                       
CONECT   33   18   17                                                 
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
