COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.560   0.727  -0.720  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.988  -1.266   2.019  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.929   0.904  -1.297  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.913  -1.314  -0.971  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.036  -1.308   0.036  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.312  -1.724   0.751  1.00  0.00           C  
HETATM    7  O   UNL     1       9.016   1.866   2.516  1.00  0.00           O  
HETATM    8  C   UNL     1       9.076   1.317   1.433  1.00  0.00           C  
HETATM    9  N   UNL     1      10.022   0.421   1.118  1.00  0.00           N  
HETATM   10  N   UNL     1       8.201   1.552   0.445  1.00  0.00           N  
HETATM   11  C   UNL     1       9.803  -0.045  -0.260  1.00  0.00           C  
HETATM   12  C   UNL     1       9.577  -1.569  -0.250  1.00  0.00           C  
HETATM   13  S   UNL     1       7.752  -1.707  -0.065  1.00  0.00           S  
HETATM   14  C   UNL     1       7.383  -0.207  -1.063  1.00  0.00           C  
HETATM   15  C   UNL     1       6.053   0.417  -0.633  1.00  0.00           C  
HETATM   16  C   UNL     1       4.899  -0.474  -1.097  1.00  0.00           C  
HETATM   17  C   UNL     1       3.569   0.150  -0.667  1.00  0.00           C  
HETATM   18  C   UNL     1       2.415  -0.740  -1.131  1.00  0.00           C  
HETATM   19  C   UNL     1       1.105  -0.126  -0.708  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.329  -0.143  -0.599  1.00  0.00           C  
HETATM   21  O   UNL     1       1.096   0.920  -0.095  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.056  -0.740  -1.010  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.483  -1.034  -1.063  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.761  -0.418  -0.680  1.00  0.00           N1+
HETATM   25 FE   UNL     1      -3.979  -0.325   1.214  1.00  0.00          Fe  
HETATM   26  N   UNL     1      -5.808  -0.858   1.270  1.00  0.00           N1+
HETATM   27  C   UNL     1      -6.690  -0.833   2.232  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.345  -1.744  -0.228  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.325   1.092  -1.740  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.304   1.435  -0.980  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.546   1.531  -1.501  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.797   2.375  -0.435  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.747   2.757   0.386  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.479   2.275   0.103  1.00  0.00           C  
HETATM   35  H   UNL     1       8.804   1.362  -1.571  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.722  -1.243   2.811  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.177   1.587  -0.903  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.813   0.818  -2.377  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.537  -2.333  -1.053  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.326  -1.029  -1.939  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.315  -2.062   0.534  1.00  0.00           H  
HETATM   42  H   UNL     1      10.736   0.128   1.705  1.00  0.00           H  
HETATM   43  H   UNL     1       7.452   2.166   0.490  1.00  0.00           H  
HETATM   44  H   UNL     1      10.657   0.206  -0.888  1.00  0.00           H  
HETATM   45  H   UNL     1       9.905  -2.015  -1.189  1.00  0.00           H  
HETATM   46  H   UNL     1      10.089  -2.030   0.595  1.00  0.00           H  
HETATM   47  H   UNL     1       7.374  -0.443  -2.127  1.00  0.00           H  
HETATM   48  H   UNL     1       6.029   0.507   0.453  1.00  0.00           H  
HETATM   49  H   UNL     1       5.953   1.405  -1.082  1.00  0.00           H  
HETATM   50  H   UNL     1       4.924  -0.564  -2.183  1.00  0.00           H  
HETATM   51  H   UNL     1       4.999  -1.462  -0.648  1.00  0.00           H  
HETATM   52  H   UNL     1       3.545   0.240   0.419  1.00  0.00           H  
HETATM   53  H   UNL     1       3.470   1.138  -1.116  1.00  0.00           H  
HETATM   54  H   UNL     1       2.440  -0.831  -2.217  1.00  0.00           H  
HETATM   55  H   UNL     1       2.515  -1.729  -0.682  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.353  -0.053   0.487  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.429   0.845  -1.048  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.049  -1.577  -1.500  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.444  -1.144  -2.147  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.397  -2.014  -0.594  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.404  -0.469   3.208  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.594  -2.108  -1.214  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.358   1.229  -2.145  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.799   2.732  -0.245  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.914   3.415   1.226  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.638   2.552   0.722  1.00  0.00           H  
CONECT    1   14   10   11   35                                       
CONECT    2   27    6    6   36                                       
CONECT    3   30   24   37   38                                       
CONECT    4   24    5   39   40                                       
CONECT    5   26    4   28   28                                       
CONECT    6    2    2   28   41                                       
CONECT    7    8    8                                                 
CONECT    8   10    7    7    9                                       
CONECT    9    8   11   42                                            
CONECT   10    1    8   43                                            
CONECT   11    1   12    9   44                                       
CONECT   12   13   11   45   46                                       
CONECT   13   14   12                                                 
CONECT   14   15    1   13   47                                       
CONECT   15   16   14   48   49                                       
CONECT   16   17   15   50   51                                       
CONECT   17   18   16   52   53                                       
CONECT   18   19   17   54   55                                       
CONECT   19   21   21   22   18                                       
CONECT   20   23   22   56   57                                       
CONECT   21   19   19                                                 
CONECT   22   20   19   58                                            
CONECT   23   24   20   59   60                                       
CONECT   24   25    3   23    4                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27    5                                       
CONECT   27   26   26    2   61                                       
CONECT   28    5    5    6   62                                       
CONECT   29   31   30   30                                            
CONECT   30   29   29   34    3                                       
CONECT   31   32   32   29   63                                       
CONECT   32   31   31   33   64                                       
CONECT   33   32   34   34   65                                       
CONECT   34   33   33   30   66                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
