COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.253   0.004  -0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       4.769   0.024   0.126  1.00  0.00           C  
HETATM    3  C   UNL     1       4.772   2.790  -0.106  1.00  0.00           C  
HETATM    4  C   UNL     1       3.566   2.120  -0.112  1.00  0.00           C  
HETATM    5  C   UNL     1       4.755  -1.377   0.243  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.480   0.743  -0.273  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.543  -0.056  -0.265  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.775   0.479  -0.379  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.958  -0.384  -0.498  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.969   0.014   0.582  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.269   1.510   0.467  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.983   2.309   0.692  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.961   1.937  -0.381  1.00  0.00           C  
HETATM   14  S   UNL     1      -2.382  -1.661  -0.122  1.00  0.00           S1-
HETATM   15 FE   UNL     1      -0.230  -1.337  -0.028  1.00  0.00          Fe  
HETATM   16  O   UNL     1       1.216  -2.246   0.134  1.00  0.00           O  
HETATM   17  C   UNL     1       2.336  -1.389   0.120  1.00  0.00           C  
HETATM   18  C   UNL     1       1.158   0.902  -0.138  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.088   0.592  -0.182  1.00  0.00           N1+
HETATM   20  C   UNL     1       3.556   0.728   0.005  1.00  0.00           C  
HETATM   21  C   UNL     1       5.984   0.735   0.129  1.00  0.00           C  
HETATM   22  C   UNL     1       5.970   2.096   0.015  1.00  0.00           C  
HETATM   23  C   UNL     1       3.551  -2.046   0.238  1.00  0.00           C  
HETATM   24  H   UNL     1       4.786   3.866  -0.196  1.00  0.00           H  
HETATM   25  H   UNL     1       2.640   2.667  -0.205  1.00  0.00           H  
HETATM   26  H   UNL     1       5.682  -1.924   0.336  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.734   1.675  -0.365  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.406  -0.257  -1.483  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.666  -1.425  -0.358  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.890  -0.553   0.445  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.553  -0.199   1.567  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.662   1.727  -0.526  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.007   1.792   1.219  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.202   3.375   0.633  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.576   2.074   1.676  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.012   2.426  -0.164  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.326   2.257  -1.356  1.00  0.00           H  
HETATM   38  H   UNL     1       1.399   1.952  -0.212  1.00  0.00           H  
HETATM   39  H   UNL     1       6.922   0.208   0.222  1.00  0.00           H  
HETATM   40  H   UNL     1       6.903   2.640   0.017  1.00  0.00           H  
HETATM   41  H   UNL     1       3.554  -3.122   0.328  1.00  0.00           H  
CONECT    1   17   17   20   18                                       
CONECT    2    5   20   20   21                                       
CONECT    3    4    4   22   24                                       
CONECT    4    3    3   20   25                                       
CONECT    5    2   23   23   26                                       
CONECT    6    7   27   19                                            
CONECT    7    6    8   14   14                                       
CONECT    8    7    9   13                                            
CONECT    9    8   10   28   29                                       
CONECT   10    9   11   30   31                                       
CONECT   11   10   12   32   33                                       
CONECT   12   11   13   34   35                                       
CONECT   13    8   12   36   37                                       
CONECT   14    7    7   15                                            
CONECT   15   14   16   19                                            
CONECT   16   15   17                                                 
CONECT   17    1    1   16   23                                       
CONECT   18   19   19   38    1                                       
CONECT   19   15   18   18    6                                       
CONECT   20    1    2    2    4                                       
CONECT   21    2   22   22   39                                       
CONECT   22    3   21   21   40                                       
CONECT   23    5    5   17   41                                       
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
