COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.209   1.444  -0.188  1.00  0.00           S  
HETATM    2  O   UNL     1      -3.555   1.022  -1.377  1.00  0.00           O  
HETATM    3  O   UNL     1      -5.613   1.644  -0.101  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.853   0.423   0.883  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.618  -0.124   0.737  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.520   0.472   1.342  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.266  -0.080   1.196  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.459  -1.283  -0.012  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.209  -1.845  -0.159  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.100  -1.241   0.439  1.00  0.00           C  
HETATM   11  C   UNL     1       1.241  -1.839   0.285  1.00  0.00           C  
HETATM   12  N   UNL     1       1.571  -3.169   0.408  1.00  0.00           N  
HETATM   13  C   UNL     1       0.653  -4.267   0.720  1.00  0.00           C  
HETATM   14  C   UNL     1       0.016  -4.740  -0.520  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.492  -5.118  -1.508  1.00  0.00           C  
HETATM   16  C   UNL     1       2.906  -3.275   0.188  1.00  0.00           C  
HETATM   17  N   UNL     1       3.400  -2.094  -0.061  1.00  0.00           N  
HETATM   18  C   UNL     1       2.416  -1.176  -0.019  1.00  0.00           C  
HETATM   19  C   UNL     1       2.566   0.280  -0.247  1.00  0.00           C  
HETATM   20  C   UNL     1       3.722   0.938   0.172  1.00  0.00           C  
HETATM   21  C   UNL     1       1.554   0.996  -0.887  1.00  0.00           C  
HETATM   22  C   UNL     1       1.697   2.352  -1.098  1.00  0.00           C  
HETATM   23  C   UNL     1       2.841   3.005  -0.677  1.00  0.00           C  
HETATM   24  C   UNL     1       3.855   2.299  -0.044  1.00  0.00           C  
HETATM   25  O   UNL     1       4.978   2.945   0.368  1.00  0.00           O  
HETATM   26  C   UNL     1       5.046   4.350   0.119  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.649   1.371   1.928  1.00  0.00           H  
HETATM   28  H   UNL     1       0.588   0.386   1.667  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.316  -1.744  -0.481  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.085  -2.743  -0.745  1.00  0.00           H  
HETATM   31  H   UNL     1       1.207  -5.085   1.179  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.113  -3.914   1.410  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.947  -5.456  -2.393  1.00  0.00           H  
HETATM   34  H   UNL     1       3.472  -4.195   0.214  1.00  0.00           H  
HETATM   35  H   UNL     1       4.510   0.387   0.664  1.00  0.00           H  
HETATM   36  H   UNL     1       0.660   0.489  -1.217  1.00  0.00           H  
HETATM   37  H   UNL     1       0.911   2.907  -1.589  1.00  0.00           H  
HETATM   38  H   UNL     1       2.948   4.066  -0.845  1.00  0.00           H  
HETATM   39  H   UNL     1       4.981   4.532  -0.954  1.00  0.00           H  
HETATM   40  H   UNL     1       4.219   4.850   0.623  1.00  0.00           H  
HETATM   41  H   UNL     1       5.991   4.741   0.497  1.00  0.00           H  
HETATM   42  F   UNL     1      -3.524   2.838   0.237  1.00  0.00           F  
CONECT    1    4    2    2    3                                       
CONECT    1    3   42                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    5    1                                                 
CONECT    5    8    8    6    4                                       
CONECT    6    7    7    5   27                                       
CONECT    7   10    6    6   28                                       
CONECT    8    9    5    5   29                                       
CONECT    9   10   10    8   30                                       
CONECT   10   11    9    9    7                                       
CONECT   11   18   18   12   10                                       
CONECT   12   16   11   13                                            
CONECT   13   12   14   31   32                                       
CONECT   14   13   15   15   15                                       
CONECT   15   14   14   14   33                                       
CONECT   16   17   17   12   34                                       
CONECT   17   18   16   16                                            
CONECT   18   19   17   11   11                                       
CONECT   19   21   21   20   18                                       
CONECT   20   24   24   19   35                                       
CONECT   21   22   19   19   36                                       
CONECT   22   23   23   21   37                                       
CONECT   23   22   22   24   38                                       
CONECT   24   23   25   20   20                                       
CONECT   25   26   24                                                 
CONECT   26   25   39   40   41                                       
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42    1                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
