COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.469   1.018   0.366  1.00  0.00           C  
HETATM    2  N   UNL     1       0.428  -0.822  -0.243  1.00  0.00           N1+
HETATM    3  O   UNL     1       1.296   1.685   0.740  1.00  0.00           O  
HETATM    4  S   UNL     1       1.367  -3.041  -0.257  1.00  0.00           S  
HETATM    5  C   UNL     1       3.579   1.867   0.424  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.662   0.621   1.002  1.00  0.00           N1+
HETATM    7  S   UNL     1      -3.461  -1.229   0.417  1.00  0.00           S  
HETATM    8  C   UNL     1       4.847   1.429   0.130  1.00  0.00           C  
HETATM    9 FE   UNL     1      -0.105   0.994  -0.034  1.00  0.00          Fe  
HETATM   10  C   UNL     1       5.056   0.109  -0.233  1.00  0.00           C  
HETATM   11  C   UNL     1       3.985  -0.748  -0.310  1.00  0.00           C  
HETATM   12  C   UNL     1       2.680  -0.317  -0.031  1.00  0.00           C  
HETATM   13  C   UNL     1       1.612  -1.319  -0.221  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.459  -2.995  -0.034  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.821  -1.513  -0.166  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.725  -0.890   0.900  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.977   0.508   0.157  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.638   1.252   0.070  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.660   1.151   2.372  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.128   1.351  -1.337  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.836   1.129  -2.289  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.805   1.710  -1.482  1.00  0.00           O  
HETATM   23  H   UNL     1       3.434   2.899   0.708  1.00  0.00           H  
HETATM   24  H   UNL     1       5.681   2.114   0.181  1.00  0.00           H  
HETATM   25  H   UNL     1       6.052  -0.243  -0.454  1.00  0.00           H  
HETATM   26  H   UNL     1       4.152  -1.777  -0.592  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.952  -3.578  -0.812  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.732  -3.367   0.953  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.320  -1.382  -1.126  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.513  -1.339   1.871  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.536   0.610  -0.773  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.563   0.867   1.003  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.809   2.270   0.418  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.567   2.237   2.341  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.592   0.880   2.867  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.820   0.730   2.923  1.00  0.00           H  
CONECT    1    3    5    5   12                                       
CONECT    2    9   13   13   15                                       
CONECT    3    1    9                                                 
CONECT    4   13   14                                                 
CONECT    5    1    1    8   23                                       
CONECT    6    9   16   18   19                                       
CONECT    7   16   17                                                 
CONECT    8    5   10   10   24                                       
CONECT    9    2    3    6   22                                       
CONECT   10    8    8   11   25                                       
CONECT   11   10   12   12   26                                       
CONECT   12    1   11   11   13                                       
CONECT   13    2    2    4   12                                       
CONECT   14    4   15   27   28                                       
CONECT   15    2   14   16   29                                       
CONECT   16    6    7   15   30                                       
CONECT   17    7   18   31   32                                       
CONECT   18    6   17   20   33                                       
CONECT   19    6   34   35   36                                       
CONECT   20   18   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22    9   20                                                 
CONECT   23    5                                                      
CONECT   24    8                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   14                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   17                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
