COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.351   2.730  -2.293  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.734   2.613  -0.967  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.089   1.371  -0.438  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.063   0.131  -1.294  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.948  -0.725  -0.880  1.00  0.00           N1+
HETATM    6  C   UNL     1      -3.117  -1.691  -0.042  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.429  -2.053   0.605  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.240  -2.206   2.013  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.944  -3.366   0.013  1.00  0.00           C  
HETATM   10  F   UNL     1      -6.207  -3.652   0.542  1.00  0.00           F  
HETATM   11  S   UNL     1      -1.636  -2.501   0.230  1.00  0.00           S  
HETATM   12  C   UNL     1      -0.822  -1.407  -0.886  1.00  0.00           C  
HETATM   13  C   UNL     1       0.640  -1.438  -1.251  1.00  0.00           C  
HETATM   14  C   UNL     1       1.425  -0.551  -0.283  1.00  0.00           C  
HETATM   15  O   UNL     1       2.812  -0.580  -0.628  1.00  0.00           O  
HETATM   16  P   UNL     1       3.935   0.242   0.181  1.00  0.00           P  
HETATM   17  O   UNL     1       5.391  -0.126  -0.399  1.00  0.00           O  
HETATM   18  P   UNL     1       6.889  -0.001   0.178  1.00  0.00           P  
HETATM   19  O   UNL     1       7.031   1.279   0.908  1.00  0.00           O  
HETATM   20  O   UNL     1       7.181  -1.226   1.182  1.00  0.00           O  
HETATM   21  O   UNL     1       7.939  -0.044  -1.041  1.00  0.00           O  
HETATM   22  O   UNL     1       3.672   1.821   0.010  1.00  0.00           O  
HETATM   23  O   UNL     1       3.870  -0.116   1.616  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.731  -0.545  -1.352  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.393   0.540  -2.342  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.464   1.306   0.890  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.475   2.417   1.613  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.135   3.575   1.084  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.163   4.811   1.946  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.766   3.682  -0.176  1.00  0.00           N  
HETATM   31  H   UNL     1      -3.416   1.965  -2.886  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.020   3.578  -2.630  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.001  -0.412  -1.176  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.935   0.413  -2.339  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.155  -1.261   0.420  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.605  -2.895   2.252  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.016  -3.273  -1.070  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.255  -4.173   0.263  1.00  0.00           H  
HETATM   39  H   UNL     1       1.008  -2.461  -1.187  1.00  0.00           H  
HETATM   40  H   UNL     1       0.768  -1.068  -2.268  1.00  0.00           H  
HETATM   41  H   UNL     1       1.056   0.473  -0.347  1.00  0.00           H  
HETATM   42  H   UNL     1       1.297  -0.921   0.735  1.00  0.00           H  
HETATM   43  H   UNL     1       7.106  -2.098   0.770  1.00  0.00           H  
HETATM   44  H   UNL     1       8.864   0.027  -0.766  1.00  0.00           H  
HETATM   45  H   UNL     1       3.700   2.127  -0.907  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.188   1.468  -1.809  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.512   0.248  -2.914  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.234   0.688  -3.020  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.745   0.363   1.333  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.191   4.944   2.422  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.386   5.680   1.328  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.931   4.702   2.712  1.00  0.00           H  
CONECT    1    2   31   32                                            
CONECT    2    1    3    3   30                                       
CONECT    3    4    2    2   26                                       
CONECT    4    5    3   33   34                                       
CONECT    5    6    6   24    4                                       
CONECT    6    7   11    5    5                                       
CONECT    7    8    9    6   35                                       
CONECT    8    7   36                                                 
CONECT    9    7   10   37   38                                       
CONECT   10    9                                                      
CONECT   11    6   12                                                 
CONECT   12   11   13   24   24                                       
CONECT   13   14   12   39   40                                       
CONECT   14   13   15   41   42                                       
CONECT   15   14   16                                                 
CONECT   16   17   15   23   23                                       
CONECT   16   22                                                      
CONECT   17   18   16                                                 
CONECT   18   19   19   21   20                                       
CONECT   18   17                                                      
CONECT   19   18   18                                                 
CONECT   20   18   43                                                 
CONECT   21   18   44                                                 
CONECT   22   16   45                                                 
CONECT   23   16   16                                                 
CONECT   24   12   12    5   25                                       
CONECT   25   24   46   47   48                                       
CONECT   26    3   27   27   49                                       
CONECT   27   26   26   28                                            
CONECT   28   30   30   27   29                                       
CONECT   29   28   50   51   52                                       
CONECT   30    2   28   28                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
