COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.711  -1.278 -19.797  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.622  -0.455 -18.682  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.725  -0.973 -17.403  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.842   1.440 -13.399  1.00  0.00           C  
HETATM    5  C   UNL     1       3.704   0.001 -14.774  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.037  -3.162 -18.334  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.457  -7.793 -17.316  1.00  0.00           C  
HETATM    8  O   UNL     1       3.355  -8.299 -20.276  1.00  0.00           O  
HETATM    9  C   UNL     1       2.190  -8.102 -19.863  1.00  0.00           C  
HETATM   10  O   UNL     1       1.265  -8.805 -20.320  1.00  0.00           O  
HETATM   11  C   UNL     1       1.898  -6.999 -18.872  1.00  0.00           C  
HETATM   12  C   UNL     1       1.949  -7.430 -17.402  1.00  0.00           C  
HETATM   13  C   UNL     1       1.660  -6.096 -16.815  1.00  0.00           C  
HETATM   14  C   UNL     1       2.654  -5.053 -16.556  1.00  0.00           C  
HETATM   15  C   UNL     1       4.142  -5.106 -16.715  1.00  0.00           C  
HETATM   16  C   UNL     1       0.339  -5.517 -16.500  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.882  -6.256 -16.677  1.00  0.00           C  
HETATM   18  N   UNL     1       0.457  -4.277 -16.068  1.00  0.00           N  
HETATM   19  C   UNL     1       1.855  -3.931 -16.086  1.00  0.00           C  
HETATM   20  C   UNL     1       2.416  -2.628 -15.719  1.00  0.00           C  
HETATM   21 FE   UNL     1      -1.095  -3.011 -15.472  1.00  0.00          Fe  
HETATM   22  N   UNL     1      -2.659  -1.758 -14.915  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.497  -0.486 -14.247  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.769   0.096 -13.951  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.727   2.258 -13.814  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.748  -0.848 -14.507  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.234  -0.695 -14.489  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.958  -1.961 -15.071  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.603  -3.111 -15.666  1.00  0.00           C  
HETATM   30  N   UNL     1       0.292  -1.524 -14.918  1.00  0.00           N  
HETATM   31  C   UNL     1       1.612  -1.565 -15.153  1.00  0.00           C  
HETATM   32  C   UNL     1       2.280  -0.344 -14.675  1.00  0.00           C  
HETATM   33  C   UNL     1       4.126   1.230 -14.610  1.00  0.00           C  
HETATM   34  C   UNL     1       1.205   0.485 -14.176  1.00  0.00           C  
HETATM   35  C   UNL     1       1.265   1.848 -13.562  1.00  0.00           C  
HETATM   36  C   UNL     1       0.021  -0.340 -14.369  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.254   0.222 -13.979  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.509  -4.428 -16.060  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.172  -5.635 -16.490  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.833  -4.271 -16.078  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.495  -5.498 -16.539  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.969  -5.757 -16.699  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.375  -6.387 -16.835  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.020  -8.579 -16.139  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.070  -8.717 -14.961  1.00  0.00           C  
HETATM   46  O   UNL     1      -3.464  -8.457 -13.799  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.893  -9.113 -15.130  1.00  0.00           O  
HETATM   48  C   UNL     1      -0.946  -2.347 -17.194  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.927  -2.637 -19.611  1.00  0.00           C  
HETATM   50  H   UNL     1      -0.614  -0.868 -20.792  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.470   0.606 -18.815  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.634  -0.313 -16.553  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.143   1.746 -12.634  1.00  0.00           H  
HETATM   54  H   UNL     1       4.421  -0.778 -14.987  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.197  -4.223 -18.212  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.127  -7.866 -18.186  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.459  -8.167 -17.589  1.00  0.00           H  
HETATM   58  H   UNL     1       3.350  -9.001 -20.916  1.00  0.00           H  
HETATM   59  H   UNL     1       2.639  -6.200 -19.021  1.00  0.00           H  
HETATM   60  H   UNL     1       0.891  -6.609 -19.080  1.00  0.00           H  
HETATM   61  H   UNL     1       1.179  -8.175 -17.154  1.00  0.00           H  
HETATM   62  H   UNL     1       2.938  -7.814 -17.110  1.00  0.00           H  
HETATM   63  H   UNL     1       4.577  -4.137 -16.428  1.00  0.00           H  
HETATM   64  H   UNL     1       4.552  -5.897 -16.070  1.00  0.00           H  
HETATM   65  H   UNL     1       4.391  -5.323 -17.764  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.833  -7.298 -16.956  1.00  0.00           H  
HETATM   67  H   UNL     1       3.470  -2.454 -15.877  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.777   3.255 -13.401  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.427   1.954 -14.579  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.639  -1.150 -13.573  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.493   0.374 -14.512  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.665  -1.196 -15.369  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.674  -3.107 -15.806  1.00  0.00           H  
HETATM   74  H   UNL     1       5.180   1.454 -14.689  1.00  0.00           H  
HETATM   75  H   UNL     1       3.420   2.019 -14.396  1.00  0.00           H  
HETATM   76  H   UNL     1       0.249   2.177 -13.298  1.00  0.00           H  
HETATM   77  H   UNL     1       1.887   1.815 -12.655  1.00  0.00           H  
HETATM   78  H   UNL     1       1.703   2.555 -14.282  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.284   1.180 -13.482  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.535  -4.869 -16.381  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.191  -5.974 -17.754  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.259  -6.618 -16.079  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.930  -8.069 -15.789  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.278  -9.588 -16.492  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.758  -8.612 -13.183  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.010  -3.289 -20.468  1.00  0.00           H  
CONECT    1   49   49    2   50                                       
CONECT    2    1    3    3   51                                       
CONECT    3    2    2   48   52                                       
CONECT    4   24   25   25   53                                       
CONECT    5   32   33   33   54                                       
CONECT    6   49   48   48   55                                       
CONECT    7   43   44   56   57                                       
CONECT    8    9   58                                                 
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   59   60                                       
CONECT   12   11   13   61   62                                       
CONECT   13   12   14   14   16                                       
CONECT   14   13   13   15   19                                       
CONECT   15   14   63   64   65                                       
CONECT   16   13   17   17   18                                       
CONECT   17   16   16   39   66                                       
CONECT   18   16   19   21                                            
CONECT   19   14   18   20   20                                       
CONECT   20   19   19   31   67                                       
CONECT   21   48   18   38   30                                       
CONECT   21   22                                                      
CONECT   22   21   28   23                                            
CONECT   23   22   37   24   24                                       
CONECT   24   26   23   23    4                                       
CONECT   25    4    4   68   69                                       
CONECT   26   28   28   27   24                                       
CONECT   27   26   70   71   72                                       
CONECT   28   29   22   26   26                                       
CONECT   29   40   40   28   73                                       
CONECT   30   21   31   31   36                                       
CONECT   31   20   30   30   32                                       
CONECT   32   31    5   34   34                                       
CONECT   33    5    5   74   75                                       
CONECT   34   32   32   36   35                                       
CONECT   35   34   76   77   78                                       
CONECT   36   30   34   37   37                                       
CONECT   37   36   36   23   79                                       
CONECT   38   39   39   40   21                                       
CONECT   39   43   17   38   38                                       
CONECT   40   41   38   29   29                                       
CONECT   41   43   43   42   40                                       
CONECT   42   41   80   81   82                                       
CONECT   43    7   41   41   39                                       
CONECT   44    7   45   83   84                                       
CONECT   45   44   47   47   46                                       
CONECT   46   45   85                                                 
CONECT   47   45   45                                                 
CONECT   48    6    6    3   21                                       
CONECT   49    1    1    6   86                                       
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
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   25                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   46                                                      
CONECT   86   49                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
