COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.634   1.318   0.684  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.552   0.585   0.087  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.775   1.261  -0.478  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.431  -0.722  -0.029  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.363  -1.350   0.453  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.239  -2.724   0.330  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.374  -0.604   1.097  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.544   0.763   1.195  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.149  -1.273   1.665  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.144  -1.429   0.610  1.00  0.00           N1+
HETATM   11  C   UNL     1      -0.082  -2.560  -0.054  1.00  0.00           C  
HETATM   12  S   UNL     1       1.224  -2.264  -1.159  1.00  0.00           S  
HETATM   13  C   UNL     1       1.594  -0.595  -0.637  1.00  0.00           C  
HETATM   14  C   UNL     1       0.670  -0.430   0.343  1.00  0.00           C  
HETATM   15  C   UNL     1       0.581   0.864   1.110  1.00  0.00           C  
HETATM   16  C   UNL     1       2.642   0.362  -1.144  1.00  0.00           C  
HETATM   17  C   UNL     1       3.933   0.175  -0.346  1.00  0.00           C  
HETATM   18  O   UNL     1       4.927   1.083  -0.826  1.00  0.00           O  
HETATM   19  P   UNL     1       6.251   0.832   0.054  1.00  0.00           P  
HETATM   20  O   UNL     1       6.795  -0.612  -0.221  1.00  0.00           O1-
HETATM   21  O   UNL     1       7.344   1.885  -0.336  1.00  0.00           O  
HETATM   22  O   UNL     1       5.903   0.979   1.574  1.00  0.00           O1-
HETATM   23  F   UNL     1      -5.551   2.640  -0.557  1.00  0.00           F  
HETATM   24  F   UNL     1      -6.036   0.757  -1.757  1.00  0.00           F  
HETATM   25  F   UNL     1      -6.871   1.013   0.354  1.00  0.00           F  
HETATM   26  H   UNL     1      -3.935  -3.236  -0.111  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.456  -3.175   0.684  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.797   1.373   1.683  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.419  -2.253   2.058  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.739  -0.660   2.468  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.685  -3.448   0.060  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.184   1.500   0.664  1.00  0.00           H  
HETATM   33  H   UNL     1       0.320   0.655   2.147  1.00  0.00           H  
HETATM   34  H   UNL     1       1.544   1.375   1.074  1.00  0.00           H  
HETATM   35  H   UNL     1       2.835   0.164  -2.199  1.00  0.00           H  
HETATM   36  H   UNL     1       2.287   1.386  -1.026  1.00  0.00           H  
HETATM   37  H   UNL     1       3.740   0.372   0.709  1.00  0.00           H  
HETATM   38  H   UNL     1       4.289  -0.849  -0.464  1.00  0.00           H  
CONECT    1    2    2    8                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   23   24   25                                       
CONECT    4    2    5    5                                            
CONECT    5    4    4    6    7                                       
CONECT    6    5   26   27                                            
CONECT    7    5    8    8    9                                       
CONECT    8    1    7    7   28                                       
CONECT    9    7   10   29   30                                       
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   12   31                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   16                                       
CONECT   14   10   13   13   15                                       
CONECT   15   14   32   33   34                                       
CONECT   16   13   17   35   36                                       
CONECT   17   16   18   37   38                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   21                                       
CONECT   19   22                                                      
CONECT   20   19                                                      
CONECT   21   19   19                                                 
CONECT   22   19                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
