COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.373   0.588  -5.461  1.00  0.00           C  
HETATM    2  C   UNL     1       6.045   1.239  -5.256  1.00  0.00           C  
HETATM    3  C   UNL     1       4.910   0.960  -6.253  1.00  0.00           C  
HETATM    4  N   UNL     1       5.163   0.078  -7.352  1.00  0.00           N  
HETATM    5  C   UNL     1       6.482  -0.567  -7.544  1.00  0.00           C  
HETATM    6  C   UNL     1       7.596  -0.295  -6.578  1.00  0.00           C  
HETATM    7  C   UNL     1       6.672  -3.282 -11.134  1.00  0.00           C  
HETATM    8  C   UNL     1       7.904  -3.111 -10.268  1.00  0.00           C  
HETATM    9  C   UNL     1       7.867  -2.221  -9.080  1.00  0.00           C  
HETATM   10  C   UNL     1       6.620  -1.491  -8.744  1.00  0.00           C  
HETATM   11  N   UNL     1       5.431  -1.665  -9.598  1.00  0.00           N  
HETATM   12  C   UNL     1       5.441  -2.554 -10.791  1.00  0.00           C  
HETATM   13 FE   UNL     1       3.796  -0.488  -8.855  1.00  0.00          Fe  
HETATM   14  N   UNL     1       1.286  -1.360 -11.019  1.00  0.00           N  
HETATM   15  C   UNL     1       2.337  -1.022 -10.249  1.00  0.00           C  
HETATM   16  N   UNL     1       0.935   1.264  -7.937  1.00  0.00           N  
HETATM   17  C   UNL     1       2.113   0.578  -8.228  1.00  0.00           C  
HETATM   18  N   UNL     1       4.163   2.091 -11.104  1.00  0.00           N  
HETATM   19  C   UNL     1       4.114   1.070 -10.197  1.00  0.00           C  
HETATM   20  N   UNL     1       3.185  -3.378  -7.004  1.00  0.00           N  
HETATM   21  C   UNL     1       3.369  -2.201  -7.699  1.00  0.00           C  
HETATM   22  C   UNL     1       9.229  -3.839 -10.587  1.00  0.00           C  
HETATM   23  C   UNL     1      12.704  -3.908 -11.610  1.00  0.00           C  
HETATM   24  C   UNL     1      12.593  -2.684 -10.744  1.00  0.00           C  
HETATM   25  C   UNL     1      11.139  -2.524 -10.295  1.00  0.00           C  
HETATM   26  C   UNL     1      13.972  -3.217 -12.762  1.00  0.00           C  
HETATM   27  C   UNL     1      15.494  -3.842 -13.028  1.00  0.00           C  
HETATM   28  C   UNL     1      15.291  -5.345 -13.453  1.00  0.00           C  
HETATM   29  C   UNL     1      15.774  -7.818 -13.900  1.00  0.00           C  
HETATM   30  C   UNL     1      16.103  -5.607 -14.756  1.00  0.00           C  
HETATM   31  C   UNL     1      16.385  -7.057 -15.043  1.00  0.00           C  
HETATM   32  C   UNL     1      18.476  -5.936 -14.994  1.00  0.00           C  
HETATM   33  N   UNL     1      10.152  -2.941 -11.092  1.00  0.00           N  
HETATM   34  O   UNL     1      10.840  -2.161  -9.066  1.00  0.00           O  
HETATM   35  O   UNL     1      19.696  -5.690 -15.044  1.00  0.00           O  
HETATM   36  N   UNL     1      17.862  -7.112 -15.162  1.00  0.00           N  
HETATM   37  N   UNL     1      17.490  -5.027 -14.751  1.00  0.00           N  
HETATM   38  S   UNL     1      15.937  -6.728 -12.442  1.00  0.00           S  
HETATM   39  C   UNL     1       8.391   0.849  -4.335  1.00  0.00           C  
HETATM   40  H   UNL     1       5.884   1.899  -4.416  1.00  0.00           H  
HETATM   41  H   UNL     1       3.941   1.420  -6.127  1.00  0.00           H  
HETATM   42  H   UNL     1       8.561  -0.759  -6.719  1.00  0.00           H  
HETATM   43  H   UNL     1       6.698  -3.933 -11.996  1.00  0.00           H  
HETATM   44  H   UNL     1       8.745  -2.105  -8.462  1.00  0.00           H  
HETATM   45  H   UNL     1       4.555  -2.663 -11.398  1.00  0.00           H  
HETATM   46  H   UNL     1       9.627  -4.292  -9.667  1.00  0.00           H  
HETATM   47  H   UNL     1       9.042  -4.627 -11.332  1.00  0.00           H  
HETATM   48  H   UNL     1      13.066  -4.788 -11.058  1.00  0.00           H  
HETATM   49  H   UNL     1      11.760  -4.157 -12.117  1.00  0.00           H  
HETATM   50  H   UNL     1      13.241  -2.795  -9.862  1.00  0.00           H  
HETATM   51  H   UNL     1      12.902  -1.797 -11.317  1.00  0.00           H  
HETATM   52  H   UNL     1      13.488  -3.204 -13.750  1.00  0.00           H  
HETATM   53  H   UNL     1      14.139  -2.184 -12.422  1.00  0.00           H  
HETATM   54  H   UNL     1      15.999  -3.285 -13.831  1.00  0.00           H  
HETATM   55  H   UNL     1      16.095  -3.785 -12.108  1.00  0.00           H  
HETATM   56  H   UNL     1      14.223  -5.544 -13.626  1.00  0.00           H  
HETATM   57  H   UNL     1      14.714  -8.031 -14.103  1.00  0.00           H  
HETATM   58  H   UNL     1      16.313  -8.763 -13.736  1.00  0.00           H  
HETATM   59  H   UNL     1      15.543  -5.180 -15.601  1.00  0.00           H  
HETATM   60  H   UNL     1      15.912  -7.354 -15.991  1.00  0.00           H  
HETATM   61  H   UNL     1      10.082  -2.611 -12.033  1.00  0.00           H  
HETATM   62  H   UNL     1      18.358  -7.959 -15.352  1.00  0.00           H  
HETATM   63  H   UNL     1      17.673  -4.058 -14.584  1.00  0.00           H  
HETATM   64  H   UNL     1       9.335   0.335  -4.567  1.00  0.00           H  
HETATM   65  H   UNL     1       8.574   1.930  -4.250  1.00  0.00           H  
HETATM   66  H   UNL     1       7.991   0.468  -3.384  1.00  0.00           H  
CONECT    1    2    2    6   39                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    4   41                                       
CONECT    4    3    3    5   13                                       
CONECT    5    4    6    6   10                                       
CONECT    6    1    5    5   42                                       
CONECT    7    8    8   12   43                                       
CONECT    8    7    7    9   22                                       
CONECT    9    8   10   10   44                                       
CONECT   10    5    9    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   12    7   11   11   45                                       
CONECT   13    4   11   15   17                                       
CONECT   13   19   21                                                 
CONECT   14   15   15   15                                            
CONECT   15   13   14   14   14                                       
CONECT   16   17   17   17                                            
CONECT   17   13   16   16   16                                       
CONECT   18   19   19   19                                            
CONECT   19   13   18   18   18                                       
CONECT   20   21   21   21                                            
CONECT   21   13   20   20   20                                       
CONECT   22    8   33   46   47                                       
CONECT   23   24   26   48   49                                       
CONECT   24   23   25   50   51                                       
CONECT   25   24   33   34   34                                       
CONECT   26   23   27   52   53                                       
CONECT   27   26   28   54   55                                       
CONECT   28   27   30   38   56                                       
CONECT   29   31   38   57   58                                       
CONECT   30   28   31   37   59                                       
CONECT   31   29   30   36   60                                       
CONECT   32   35   35   36   37                                       
CONECT   33   22   25   61                                            
CONECT   34   25   25                                                 
CONECT   35   32   32                                                 
CONECT   36   31   32   62                                            
CONECT   37   30   32   63                                            
CONECT   38   28   29                                                 
CONECT   39    1   64   65   66                                       
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   39                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
