COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -29.212  30.563  -3.623  1.00  0.00           C  
HETATM    2  CA  UNL     1     -28.485  31.207  -4.807  1.00  0.00           C  
HETATM    3  C   UNL     1     -29.144  30.831  -6.191  1.00  0.00           C  
HETATM    4  C   UNL     1     -30.417  29.924  -6.321  1.00  0.00           C  
HETATM    5  C   UNL     1     -30.844  29.430  -7.699  1.00  0.00           C  
HETATM    6  N   UNL     1     -30.461  28.048  -7.831  1.00  0.00           N  
HETATM    7  C   UNL     1     -29.648  27.664  -8.796  1.00  0.00           C  
HETATM    8  O   UNL     1     -30.356  30.870  -3.359  1.00  0.00           O  
HETATM    9  N   UNL     1     -27.153  30.758  -4.970  1.00  0.00           N  
HETATM   10  O   UNL     1     -30.926  27.129  -6.961  1.00  0.00           O  
HETATM   11  O   UNL     1     -29.341  26.504  -8.879  1.00  0.00           O  
HETATM   12  C   UNL     1     -26.493  29.824  -4.208  1.00  0.00           C  
HETATM   13  CA  UNL     1     -27.252  29.127  -2.993  1.00  0.00           C  
HETATM   14  C   UNL     1     -27.531  27.787  -3.679  1.00  0.00           C  
HETATM   15  C   UNL     1     -26.521  26.633  -3.678  1.00  0.00           C  
HETATM   16  C   UNL     1     -26.891  25.371  -4.496  1.00  0.00           C  
HETATM   17  O   UNL     1     -25.335  29.504  -4.424  1.00  0.00           O  
HETATM   18  N   UNL     1     -28.565  29.617  -2.851  1.00  0.00           N  
HETATM   19  C   UNL     1     -27.579  27.041 -11.227  1.00  0.00           C  
HETATM   20  C   UNL     1     -28.477  28.338 -11.125  1.00  0.00           C  
HETATM   21  C   UNL     1     -28.733  29.210 -12.396  1.00  0.00           C  
HETATM   22  C   UNL     1     -27.454  30.011 -12.619  1.00  0.00           C  
HETATM   23  O   UNL     1     -27.501  30.544 -13.869  1.00  0.00           O  
HETATM   24  C   UNL     1     -29.074  28.720  -9.842  1.00  0.00           C  
HETATM   25 FE   UNL     1     -29.984  25.377  -7.298  1.00  0.00          Fe  
HETATM   26  N   UNL     1     -28.162  25.299  -5.248  1.00  0.00           N  
HETATM   27  C   UNL     1     -29.239  24.750  -4.704  1.00  0.00           C  
HETATM   28  C   UNL     1     -29.199  24.189  -3.234  1.00  0.00           C  
HETATM   29  C   UNL     1     -28.752  22.976  -2.859  1.00  0.00           C  
HETATM   30  C   UNL     1     -29.162  22.398  -1.516  1.00  0.00           C  
HETATM   31  C   UNL     1     -30.284  21.334  -1.712  1.00  0.00           C  
HETATM   32  O   UNL     1     -31.481  22.022  -2.178  1.00  0.00           O  
HETATM   33  O   UNL     1     -28.236  25.784  -6.458  1.00  0.00           O  
HETATM   34  O   UNL     1     -30.333  24.699  -5.391  1.00  0.00           O  
HETATM   35  C   UNL     1     -31.800  21.527  -3.514  1.00  0.00           C  
HETATM   36  C   UNL     1     -32.448  22.488  -4.571  1.00  0.00           C  
HETATM   37  C   UNL     1     -33.299  21.735  -5.609  1.00  0.00           C  
HETATM   38  C   UNL     1     -33.832  22.643  -6.753  1.00  0.00           C  
HETATM   39  C   UNL     1     -32.864  22.640  -7.957  1.00  0.00           C  
HETATM   40  N   UNL     1     -31.716  23.409  -7.941  1.00  0.00           N  
HETATM   41  C   UNL     1     -30.563  22.866  -8.069  1.00  0.00           C  
HETATM   42  C   UNL     1     -30.419  21.284  -8.254  1.00  0.00           C  
HETATM   43  C   UNL     1     -29.456  20.540  -7.292  1.00  0.00           C  
HETATM   44  C   UNL     1     -29.884  19.052  -6.896  1.00  0.00           C  
HETATM   45  C   UNL     1     -28.625  18.276  -6.367  1.00  0.00           C  
HETATM   46  O   UNL     1     -28.763  18.116  -4.941  1.00  0.00           O  
HETATM   47  O   UNL     1     -31.548  20.335  -3.819  1.00  0.00           O  
HETATM   48  O   UNL     1     -31.796  24.752  -7.796  1.00  0.00           O  
HETATM   49  O   UNL     1     -29.564  23.577  -8.057  1.00  0.00           O  
HETATM   50  C   UNL     1     -28.791  21.354  -6.302  1.00  0.00           C  
HETATM   51  N   UNL     1     -33.382  23.205  -3.859  1.00  0.00           N  
HETATM   52  C   UNL     1     -33.303  24.447  -3.305  1.00  0.00           C  
HETATM   53  O   UNL     1     -32.792  25.420  -3.976  1.00  0.00           O  
HETATM   54  C   UNL     1     -33.827  24.692  -1.876  1.00  0.00           C  
HETATM   55  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   56  HA  UNL     1     -28.539  32.279  -4.567  1.00  0.00           H  
HETATM   57  H   UNL     1     -29.430  31.792  -6.643  1.00  0.00           H  
HETATM   58  H   UNL     1     -28.357  30.302  -6.749  1.00  0.00           H  
HETATM   59  H   UNL     1     -30.219  29.025  -5.718  1.00  0.00           H  
HETATM   60  H   UNL     1     -31.259  30.515  -5.930  1.00  0.00           H  
HETATM   61  H   UNL     1     -31.935  29.526  -7.807  1.00  0.00           H  
HETATM   62  H   UNL     1     -30.350  30.029  -8.478  1.00  0.00           H  
HETATM   63  H   UNL     1     -26.635  31.165  -5.722  1.00  0.00           H  
HETATM   64  HA  UNL     1     -26.705  29.204  -2.042  1.00  0.00           H  
HETATM   65  H   UNL     1     -28.428  27.388  -3.184  1.00  0.00           H  
HETATM   66  H   UNL     1     -27.692  28.031  -4.739  1.00  0.00           H  
HETATM   67  H   UNL     1     -25.584  27.026  -4.099  1.00  0.00           H  
HETATM   68  H   UNL     1     -26.398  26.314  -2.632  1.00  0.00           H  
HETATM   69  H   UNL     1     -26.093  25.254  -5.244  1.00  0.00           H  
HETATM   70  H   UNL     1     -26.923  24.543  -3.772  1.00  0.00           H  
HETATM   71  H   UNL     1     -29.096  29.232  -2.096  1.00  0.00           H  
HETATM   72  H   UNL     1     -27.513  26.561 -10.239  1.00  0.00           H  
HETATM   73  H   UNL     1     -28.028  26.340 -11.946  1.00  0.00           H  
HETATM   74  H   UNL     1     -26.571  27.319 -11.567  1.00  0.00           H  
HETATM   75  H   UNL     1     -28.949  28.573 -13.267  1.00  0.00           H  
HETATM   76  H   UNL     1     -29.590  29.882 -12.240  1.00  0.00           H  
HETATM   77  H   UNL     1     -27.380  30.815 -11.871  1.00  0.00           H  
HETATM   78  H   UNL     1     -26.578  29.352 -12.525  1.00  0.00           H  
HETATM   79  H   UNL     1     -26.712  31.048 -14.029  1.00  0.00           H  
HETATM   80  H   UNL     1     -29.127  29.770  -9.593  1.00  0.00           H  
HETATM   81  H   UNL     1     -29.565  24.839  -2.453  1.00  0.00           H  
HETATM   82  H   UNL     1     -28.290  21.923  -1.044  1.00  0.00           H  
HETATM   83  H   UNL     1     -29.537  23.207  -0.872  1.00  0.00           H  
HETATM   84  H   UNL     1     -29.967  20.587  -2.455  1.00  0.00           H  
HETATM   85  H   UNL     1     -30.490  20.826  -0.759  1.00  0.00           H  
HETATM   86  H   UNL     1     -31.650  23.054  -5.075  1.00  0.00           H  
HETATM   87  H   UNL     1     -32.674  20.949  -6.059  1.00  0.00           H  
HETATM   88  H   UNL     1     -34.164  21.296  -5.089  1.00  0.00           H  
HETATM   89  H   UNL     1     -34.812  22.267  -7.081  1.00  0.00           H  
HETATM   90  H   UNL     1     -33.931  23.672  -6.376  1.00  0.00           H  
HETATM   91  H   UNL     1     -32.528  21.599  -8.070  1.00  0.00           H  
HETATM   92  H   UNL     1     -33.452  22.994  -8.817  1.00  0.00           H  
HETATM   93  H   UNL     1     -30.970  20.755  -9.018  1.00  0.00           H  
HETATM   94  H   UNL     1     -30.653  19.087  -6.110  1.00  0.00           H  
HETATM   95  H   UNL     1     -30.289  18.538  -7.780  1.00  0.00           H  
HETATM   96  H   UNL     1     -28.562  17.290  -6.850  1.00  0.00           H  
HETATM   97  H   UNL     1     -27.711  18.845  -6.594  1.00  0.00           H  
HETATM   98  H   UNL     1     -28.010  17.648  -4.600  1.00  0.00           H  
HETATM   99  H   UNL     1     -28.139  20.720  -5.683  1.00  0.00           H  
HETATM  100  H   UNL     1     -28.185  22.121  -6.806  1.00  0.00           H  
HETATM  101  H   UNL     1     -29.542  21.841  -5.663  1.00  0.00           H  
HETATM  102  H   UNL     1     -34.258  22.741  -3.727  1.00  0.00           H  
HETATM  103  H   UNL     1     -33.680  25.748  -1.607  1.00  0.00           H  
HETATM  104  H   UNL     1     -34.899  24.449  -1.832  1.00  0.00           H  
HETATM  105  H   UNL     1     -33.277  24.054  -1.169  1.00  0.00           H  
HETATM  106  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  107  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  108  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1    2    8    8   18                                       
CONECT    2    1    3    9   56                                       
CONECT    3    2    4   57   58                                       
CONECT    4    3    5   59   60                                       
CONECT    5    4    6   61   62                                       
CONECT    6    5    7   10                                            
CONECT    7    6   11   11   24                                       
CONECT    8    1    1                                                 
CONECT    9    2   12   63                                            
CONECT   10    6   25                                                 
CONECT   11    7    7   25                                            
CONECT   12    9   13   17   17                                       
CONECT   13   12   14   18   64                                       
CONECT   14   13   15   65   66                                       
CONECT   15   14   16   67   68                                       
CONECT   16   15   26   69   70                                       
CONECT   17   12   12                                                 
CONECT   18    1   13   71                                            
CONECT   19   20   72   73   74                                       
CONECT   20   19   21   24   24                                       
CONECT   21   20   22   75   76                                       
CONECT   22   21   23   77   78                                       
CONECT   23   22   79                                                 
CONECT   24    7   20   20   80                                       
CONECT   25   10   11   33   34                                       
CONECT   25   48   49                                                 
CONECT   26   16   27   33                                            
CONECT   27   26   28   34   34                                       
CONECT   28   27   29   29   81                                       
CONECT   29   28   28   30   55                                       
CONECT   30   29   31   82   83                                       
CONECT   31   30   32   84   85                                       
CONECT   32   31   35                                                 
CONECT   33   25   26                                                 
CONECT   34   25   27   27                                            
CONECT   35   32   36   47   47                                       
CONECT   36   35   37   51   86                                       
CONECT   37   36   38   87   88                                       
CONECT   38   37   39   89   90                                       
CONECT   39   38   40   91   92                                       
CONECT   40   39   41   48                                            
CONECT   41   40   42   49   49                                       
CONECT   42   41   43   43   93                                       
CONECT   43   42   42   44   50                                       
CONECT   44   43   45   94   95                                       
CONECT   45   44   46   96   97                                       
CONECT   46   45   98                                                 
CONECT   47   35   35                                                 
CONECT   48   25   40                                                 
CONECT   49   25   41   41                                            
CONECT   50   43   99  100  101                                       
CONECT   51   36   52  102                                            
CONECT   52   51   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52  103  104  105                                       
CONECT   55   29  106  107  108                                       
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    9                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   28                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   42                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   50                                                      
CONECT  100   50                                                      
CONECT  101   50                                                      
CONECT  102   51                                                      
CONECT  103   54                                                      
CONECT  104   54                                                      
CONECT  105   54                                                      
CONECT  106   55                                                      
CONECT  107   55                                                      
CONECT  108   55                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
