COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.520  -7.741 -20.530  1.00  0.00           O  
HETATM    2  C   UNL     1       2.579  -7.782 -19.681  1.00  0.00           C  
HETATM    3  O   UNL     1       2.040  -8.892 -19.475  1.00  0.00           O  
HETATM    4  C   UNL     1       2.150  -6.577 -18.833  1.00  0.00           C  
HETATM    5  C   UNL     1       2.112  -6.938 -17.321  1.00  0.00           C  
HETATM    6  C   UNL     1       1.733  -5.632 -16.747  1.00  0.00           C  
HETATM    7  C   UNL     1       2.711  -4.579 -16.487  1.00  0.00           C  
HETATM    8  C   UNL     1       4.195  -4.538 -16.605  1.00  0.00           C  
HETATM    9  C   UNL     1       0.412  -5.086 -16.416  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.787  -5.847 -16.567  1.00  0.00           C  
HETATM   11  N   UNL     1       0.543  -3.837 -15.933  1.00  0.00           N  
HETATM   12  C   UNL     1       1.928  -3.482 -15.951  1.00  0.00           C  
HETATM   13  C   UNL     1       2.524  -2.205 -15.526  1.00  0.00           C  
HETATM   14 FE   UNL     1      -0.949  -2.504 -15.433  1.00  0.00          Fe  
HETATM   15  N   UNL     1      -2.485  -1.185 -14.976  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.331   0.100 -14.377  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.658   0.715 -14.186  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.766   2.066 -13.665  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.791   2.842 -13.955  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.623  -0.270 -14.713  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.127  -0.177 -14.800  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.785  -1.387 -15.197  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.405  -2.538 -15.775  1.00  0.00           C  
HETATM   24  N   UNL     1       0.468  -1.009 -14.864  1.00  0.00           N  
HETATM   25  C   UNL     1       1.786  -1.094 -15.032  1.00  0.00           C  
HETATM   26  C   UNL     1       2.479   0.162 -14.661  1.00  0.00           C  
HETATM   27  C   UNL     1       3.928   0.443 -14.784  1.00  0.00           C  
HETATM   28  C   UNL     1       4.386   1.716 -14.726  1.00  0.00           C  
HETATM   29  C   UNL     1       1.395   1.064 -14.242  1.00  0.00           C  
HETATM   30  C   UNL     1       1.394   2.487 -13.733  1.00  0.00           C  
HETATM   31  C   UNL     1       0.217   0.209 -14.404  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.077   0.780 -14.098  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.371  -3.935 -16.023  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.092  -5.182 -16.409  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.702  -3.736 -16.106  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.446  -4.905 -16.586  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.918  -5.131 -16.825  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.333  -5.852 -16.778  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.410  -7.269 -17.210  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.980  -8.061 -16.009  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.023  -8.170 -14.812  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.478  -7.850 -13.677  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.790  -8.535 -14.936  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.737  -1.806 -17.303  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.629  -2.729 -18.353  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.476  -2.284 -19.622  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.346  -0.909 -19.852  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.373   0.032 -18.824  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.575  -0.417 -17.536  1.00  0.00           C  
HETATM   50 CL   UNL     1      -0.153  -0.294 -21.533  1.00  0.00          Cl  
HETATM   51  H   UNL     1       2.452  -9.551 -20.021  1.00  0.00           H  
HETATM   52  H   UNL     1       2.866  -5.756 -18.988  1.00  0.00           H  
HETATM   53  H   UNL     1       1.147  -6.254 -19.150  1.00  0.00           H  
HETATM   54  H   UNL     1       1.359  -7.711 -17.106  1.00  0.00           H  
HETATM   55  H   UNL     1       3.095  -7.272 -16.958  1.00  0.00           H  
HETATM   56  H   UNL     1       4.559  -3.543 -16.310  1.00  0.00           H  
HETATM   57  H   UNL     1       4.636  -5.300 -15.946  1.00  0.00           H  
HETATM   58  H   UNL     1       4.486  -4.741 -17.646  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.737  -6.901 -16.795  1.00  0.00           H  
HETATM   60  H   UNL     1       3.597  -2.105 -15.594  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.985   2.445 -13.022  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.842   3.842 -13.551  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.580   2.477 -14.596  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.574  -0.599 -13.888  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.424   0.877 -14.900  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.479  -0.742 -15.676  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.466  -2.499 -15.973  1.00  0.00           H  
HETATM   68  H   UNL     1       4.623  -0.372 -14.921  1.00  0.00           H  
HETATM   69  H   UNL     1       5.444   1.914 -14.816  1.00  0.00           H  
HETATM   70  H   UNL     1       3.693   2.533 -14.589  1.00  0.00           H  
HETATM   71  H   UNL     1       0.360   2.803 -13.528  1.00  0.00           H  
HETATM   72  H   UNL     1       1.986   2.546 -12.807  1.00  0.00           H  
HETATM   73  H   UNL     1       1.836   3.148 -14.493  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.113   1.758 -13.641  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.475  -4.214 -16.581  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.082  -5.390 -17.881  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.271  -5.955 -16.187  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.076  -7.366 -18.080  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.409  -7.642 -17.471  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.899  -7.560 -15.671  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.222  -9.078 -16.351  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.791  -7.931 -13.026  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.668  -3.789 -18.150  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.454  -2.981 -20.447  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.239   1.084 -19.031  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.609   0.282 -16.713  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   51                                                 
CONECT    4    2    5   52   53                                       
CONECT    5    4    6   54   55                                       
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   12                                       
CONECT    8    7   56   57   58                                       
CONECT    9    6   10   10   11                                       
CONECT   10    9    9   34   59                                       
CONECT   11    9   12   14                                            
CONECT   12    7   11   13   13                                       
CONECT   13   12   12   25   60                                       
CONECT   14   44   33   11   15                                       
CONECT   14   24                                                      
CONECT   15   14   22   16                                            
CONECT   16   15   17   17   32                                       
CONECT   17   20   16   16   18                                       
CONECT   18   17   19   19   61                                       
CONECT   19   18   18   62   63                                       
CONECT   20   22   22   21   17                                       
CONECT   21   20   64   65   66                                       
CONECT   22   23   15   20   20                                       
CONECT   23   35   35   22   67                                       
CONECT   24   14   25   25   31                                       
CONECT   25   13   24   24   26                                       
CONECT   26   25   27   29   29                                       
CONECT   27   28   28   26   68                                       
CONECT   28   27   27   69   70                                       
CONECT   29   26   26   31   30                                       
CONECT   30   29   71   72   73                                       
CONECT   31   24   29   32   32                                       
CONECT   32   31   31   16   74                                       
CONECT   33   34   34   35   14                                       
CONECT   34   38   10   33   33                                       
CONECT   35   36   33   23   23                                       
CONECT   36   37   38   38   35                                       
CONECT   37   36   75   76   77                                       
CONECT   38   39   36   36   34                                       
CONECT   39   38   40   78   79                                       
CONECT   40   39   41   80   81                                       
CONECT   41   40   43   43   42                                       
CONECT   42   41   82                                                 
CONECT   43   41   41                                                 
CONECT   44   45   45   49   14                                       
CONECT   45   46   44   44   83                                       
CONECT   46   47   47   45   84                                       
CONECT   47   50   46   46   48                                       
CONECT   48   47   49   49   85                                       
CONECT   49   48   48   44   86                                       
CONECT   50   47                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59   10                                                      
CONECT   60   13                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   32                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   42                                                      
CONECT   83   45                                                      
CONECT   84   46                                                      
CONECT   85   48                                                      
CONECT   86   49                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
