COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.805  -1.404 -17.246  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.367  -0.044 -17.353  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.169   0.515 -18.613  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.355  -0.246 -19.790  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.714  -1.599 -19.667  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.897  -2.152 -18.417  1.00  0.00           C  
HETATM    7  C   UNL     1       0.315   1.909 -18.542  1.00  0.00           C  
HETATM    8  O   UNL     1       3.651  -7.281 -20.443  1.00  0.00           O  
HETATM    9  C   UNL     1       2.634  -7.329 -19.669  1.00  0.00           C  
HETATM   10  O   UNL     1       2.126  -8.445 -19.411  1.00  0.00           O  
HETATM   11  C   UNL     1       2.055  -6.141 -18.944  1.00  0.00           C  
HETATM   12  C   UNL     1       2.086  -6.423 -17.414  1.00  0.00           C  
HETATM   13  C   UNL     1       1.784  -5.099 -16.806  1.00  0.00           C  
HETATM   14  C   UNL     1       2.760  -4.068 -16.461  1.00  0.00           C  
HETATM   15  C   UNL     1       4.241  -4.029 -16.513  1.00  0.00           C  
HETATM   16  C   UNL     1       0.463  -4.565 -16.462  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.757  -5.312 -16.713  1.00  0.00           C  
HETATM   18  N   UNL     1       0.592  -3.327 -15.963  1.00  0.00           N  
HETATM   19  C   UNL     1       1.963  -2.968 -15.937  1.00  0.00           C  
HETATM   20  C   UNL     1       2.565  -1.702 -15.512  1.00  0.00           C  
HETATM   21 FE   UNL     1      -0.918  -2.013 -15.419  1.00  0.00          Fe  
HETATM   22  N   UNL     1      -2.471  -0.699 -14.903  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.302   0.585 -14.277  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.609   1.177 -14.012  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.734   2.530 -13.519  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.740   3.304 -13.825  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.610   0.200 -14.478  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.113   0.299 -14.453  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.817  -0.917 -15.017  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.474  -2.092 -15.551  1.00  0.00           C  
HETATM   31  N   UNL     1       0.492  -0.555 -14.822  1.00  0.00           N  
HETATM   32  C   UNL     1       1.801  -0.623 -14.983  1.00  0.00           C  
HETATM   33  C   UNL     1       2.495   0.634 -14.602  1.00  0.00           C  
HETATM   34  C   UNL     1       3.947   0.897 -14.740  1.00  0.00           C  
HETATM   35  C   UNL     1       4.493   2.095 -14.661  1.00  0.00           C  
HETATM   36  C   UNL     1       1.419   1.523 -14.178  1.00  0.00           C  
HETATM   37  C   UNL     1       1.394   2.919 -13.625  1.00  0.00           C  
HETATM   38  C   UNL     1       0.236   0.677 -14.329  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.023   1.277 -13.974  1.00  0.00           C  
HETATM   40  N   UNL     1      -2.369  -3.443 -16.004  1.00  0.00           N  
HETATM   41  C   UNL     1      -2.072  -4.659 -16.503  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.724  -3.250 -15.994  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.430  -4.457 -16.486  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.918  -4.716 -16.661  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.315  -5.376 -16.817  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.390  -6.784 -17.342  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.891  -7.657 -16.193  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.950  -7.766 -14.970  1.00  0.00           C  
HETATM   49  O   UNL     1      -3.362  -7.453 -13.809  1.00  0.00           O  
HETATM   50  O   UNL     1      -1.761  -8.158 -15.092  1.00  0.00           O  
HETATM   51  H   UNL     1      -0.192   0.543 -16.463  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.224   0.203 -20.763  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.846  -2.205 -20.551  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.120  -3.206 -18.343  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.544   2.597 -18.551  1.00  0.00           H  
HETATM   56  H   UNL     1       0.889   2.051 -17.615  1.00  0.00           H  
HETATM   57  H   UNL     1       0.960   2.118 -19.408  1.00  0.00           H  
HETATM   58  H   UNL     1       2.611  -9.126 -19.863  1.00  0.00           H  
HETATM   59  H   UNL     1       2.652  -5.245 -19.167  1.00  0.00           H  
HETATM   60  H   UNL     1       1.017  -5.980 -19.269  1.00  0.00           H  
HETATM   61  H   UNL     1       1.323  -7.166 -17.136  1.00  0.00           H  
HETATM   62  H   UNL     1       3.078  -6.781 -17.101  1.00  0.00           H  
HETATM   63  H   UNL     1       4.595  -3.049 -16.159  1.00  0.00           H  
HETATM   64  H   UNL     1       4.651  -4.821 -15.870  1.00  0.00           H  
HETATM   65  H   UNL     1       4.576  -4.188 -17.549  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.707  -6.337 -17.051  1.00  0.00           H  
HETATM   67  H   UNL     1       3.634  -1.582 -15.604  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.963   2.917 -12.870  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.788   4.308 -13.431  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.524   2.940 -14.472  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.411   1.250 -13.988  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.500   0.257 -15.482  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.526  -0.538 -13.871  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.552  -2.105 -15.621  1.00  0.00           H  
HETATM   75  H   UNL     1       4.599   0.054 -14.916  1.00  0.00           H  
HETATM   76  H   UNL     1       5.561   2.210 -14.772  1.00  0.00           H  
HETATM   77  H   UNL     1       3.872   2.961 -14.486  1.00  0.00           H  
HETATM   78  H   UNL     1       1.275   3.638 -14.449  1.00  0.00           H  
HETATM   79  H   UNL     1       0.552   3.021 -12.925  1.00  0.00           H  
HETATM   80  H   UNL     1       2.337   3.121 -13.096  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.038   2.239 -13.483  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.486  -3.837 -16.322  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.135  -4.905 -17.723  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.210  -5.593 -16.065  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.089  -6.835 -18.190  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.395  -7.121 -17.667  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.848  -7.241 -15.846  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.053  -8.672 -16.586  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.660  -7.573 -13.180  1.00  0.00           H  
CONECT    1    6    6    2   21                                       
CONECT    2    3    3    1   51                                       
CONECT    3    4    7    2    2                                       
CONECT    4    5    5    3   52                                       
CONECT    5    4    4    6   53                                       
CONECT    6    5    1    1   54                                       
CONECT    7    3   55   56   57                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   10   11                                       
CONECT   10    9   58                                                 
CONECT   11    9   12   59   60                                       
CONECT   12   11   13   61   62                                       
CONECT   13   12   16   14   14                                       
CONECT   14   13   13   15   19                                       
CONECT   15   14   63   64   65                                       
CONECT   16   13   17   18   18                                       
CONECT   17   41   41   16   66                                       
CONECT   18   16   16   19   21                                       
CONECT   19   14   18   20   20                                       
CONECT   20   19   19   32   67                                       
CONECT   21    1   40   18   22                                       
CONECT   21   31                                                      
CONECT   22   21   29   29   23                                       
CONECT   23   22   24   39   39                                       
CONECT   24   27   27   23   25                                       
CONECT   25   24   26   26   68                                       
CONECT   26   25   25   69   70                                       
CONECT   27   29   28   24   24                                       
CONECT   28   27   71   72   73                                       
CONECT   29   30   22   22   27                                       
CONECT   30   42   42   29   74                                       
CONECT   31   21   32   38                                            
CONECT   32   20   31   33   33                                       
CONECT   33   32   32   34   36                                       
CONECT   34   35   35   33   75                                       
CONECT   35   34   34   76   77                                       
CONECT   36   33   38   38   37                                       
CONECT   37   36   78   79   80                                       
CONECT   38   31   36   36   39                                       
CONECT   39   38   23   23   81                                       
CONECT   40   41   42   21                                            
CONECT   41   45   17   17   40                                       
CONECT   42   43   40   30   30                                       
CONECT   43   45   45   44   42                                       
CONECT   44   43   82   83   84                                       
CONECT   45   46   41   43   43                                       
CONECT   46   45   47   85   86                                       
CONECT   47   46   48   87   88                                       
CONECT   48   47   50   50   49                                       
CONECT   49   48   89                                                 
CONECT   50   48   48                                                 
CONECT   51    2                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   20                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   39                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   49                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
