COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.535   3.608  -1.138  1.00  0.00           C  
HETATM    2  C   UNL     1       3.717   2.423  -0.224  1.00  0.00           C  
HETATM    3  C   UNL     1       2.382  -1.199  -0.317  1.00  0.00           C  
HETATM    4  C   UNL     1       1.006  -1.625   0.198  1.00  0.00           C  
HETATM    5  C   UNL     1       0.286  -2.500  -0.853  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.195  -2.074  -0.745  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.195  -0.992   0.358  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.870   1.242  -0.600  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.997   1.281  -0.178  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.496   0.062   0.308  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.609  -0.506   1.011  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.369   1.543  -0.026  1.00  0.00           C  
HETATM   13  N   UNL     1       4.266   1.286  -0.696  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.152   0.068   0.033  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.953   1.953  -0.722  1.00  0.00           N  
HETATM   16  N   UNL     1      -4.330  -0.793   0.890  1.00  0.00           N  
HETATM   17  N   UNL     1      -6.126   0.627   0.570  1.00  0.00           N  
HETATM   18  N   UNL     1      -5.919   2.727  -0.484  1.00  0.00           N  
HETATM   19  O   UNL     1       3.369   2.492   0.936  1.00  0.00           O  
HETATM   20  O   UNL     1       5.028  -1.052  -0.486  1.00  0.00           O  
HETATM   21  O   UNL     1       5.080   0.479   1.489  1.00  0.00           O  
HETATM   22  O   UNL     1       3.077  -0.491   0.712  1.00  0.00           O  
HETATM   23  O   UNL     1       0.152  -0.472   0.366  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.008  -3.184  -0.358  1.00  0.00           O  
HETATM   25  O   UNL     1       0.433  -3.885  -0.536  1.00  0.00           O  
HETATM   26  S   UNL     1       4.465  -0.016   0.307  1.00  0.00           S  
HETATM   27  H   UNL     1       2.888   3.329  -1.970  1.00  0.00           H  
HETATM   28  H   UNL     1       3.079   4.428  -0.583  1.00  0.00           H  
HETATM   29  H   UNL     1       4.505   3.923  -1.521  1.00  0.00           H  
HETATM   30  H   UNL     1       2.954  -2.082  -0.600  1.00  0.00           H  
HETATM   31  H   UNL     1       2.261  -0.551  -1.185  1.00  0.00           H  
HETATM   32  H   UNL     1       1.105  -2.167   1.139  1.00  0.00           H  
HETATM   33  H   UNL     1       0.673  -2.294  -1.851  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.543  -1.658  -1.690  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.436  -1.436   1.325  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.891   1.541  -0.944  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.260  -1.223   1.488  1.00  0.00           H  
HETATM   38  H   UNL     1       4.544   1.230  -1.624  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.356   3.388  -0.917  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.868   2.896  -0.374  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.996  -3.918  -0.987  1.00  0.00           H  
HETATM   42  H   UNL     1       0.001  -4.480  -1.164  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1   19   19   13                                       
CONECT    3   22    4   30   31                                       
CONECT    4   23    3    5   32                                       
CONECT    5    4    6   25   33                                       
CONECT    6    7    5   24   34                                       
CONECT    7   14   23    6   35                                       
CONECT    8   15   15   14   36                                       
CONECT    9   15   12   12   10                                       
CONECT   10    9   14   16   16                                       
CONECT   11   17   17   16   37                                       
CONECT   12   18    9    9   17                                       
CONECT   13    2   26   38                                            
CONECT   14    8   10    7                                            
CONECT   15    8    8    9                                            
CONECT   16   10   10   11                                            
CONECT   17   12   11   11                                            
CONECT   18   12   39   40                                            
CONECT   19    2    2                                                 
CONECT   20   26   26                                                 
CONECT   21   26   26                                                 
CONECT   22   26    3                                                 
CONECT   23    7    4                                                 
CONECT   24    6   41                                                 
CONECT   25    5   42                                                 
CONECT   26   21   21   13   20                                       
CONECT   26   20   22                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
