COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.307  27.742  -7.141  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.365  26.923  -7.759  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.268  27.494  -8.388  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.129  28.880  -8.398  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.079  29.695  -7.779  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.177  29.131  -7.138  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.161  29.934  -6.522  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.949  30.312  -5.217  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.971  29.950  -4.380  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.141  30.538  -3.196  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.237  31.314  -3.234  1.00  0.00           C  
HETATM   12  N   UNL     1      -7.714  31.154  -4.486  1.00  0.00           N  
HETATM   13  C   UNL     1      -8.278  30.108  -7.297  1.00  0.00           C  
HETATM   14  N   UNL     1      -9.368  30.821  -6.975  1.00  0.00           N  
HETATM   15  C   UNL     1      -8.551  29.614  -8.513  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.758  30.025  -8.903  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.297  30.795  -7.948  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.515  31.422  -7.937  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.236  31.339  -9.148  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.367  30.532  -9.250  1.00  0.00           C  
HETATM   21  C   UNL     1     -14.085  30.440 -10.441  1.00  0.00           C  
HETATM   22  C   UNL     1     -13.675  31.163 -11.556  1.00  0.00           C  
HETATM   23  C   UNL     1     -12.544  31.968 -11.471  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.832  32.055 -10.276  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.125  32.126  -6.924  1.00  0.00           C  
HETATM   26  N   UNL     1     -11.634  32.340  -5.693  1.00  0.00           N  
HETATM   27  C   UNL     1     -13.311  32.748  -6.917  1.00  0.00           C  
HETATM   28  C   UNL     1     -13.512  33.313  -5.728  1.00  0.00           C  
HETATM   29  C   UNL     1     -12.464  33.076  -4.928  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.236  33.479  -3.631  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.313  34.133  -2.982  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.191  35.450  -2.521  1.00  0.00           C  
HETATM   33  C   UNL     1     -14.250  36.086  -1.868  1.00  0.00           C  
HETATM   34  C   UNL     1     -15.452  35.414  -1.692  1.00  0.00           C  
HETATM   35  C   UNL     1     -15.594  34.111  -2.157  1.00  0.00           C  
HETATM   36  C   UNL     1     -14.529  33.475  -2.795  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.093  33.337  -2.877  1.00  0.00           C  
HETATM   38  N   UNL     1      -9.979  32.648  -3.208  1.00  0.00           N  
HETATM   39  C   UNL     1     -10.816  33.823  -1.660  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.600  33.446  -1.288  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.037  32.699  -2.245  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.796  32.096  -2.247  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.080  32.213  -1.023  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.638  31.763   0.185  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.958  31.888   1.399  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.689  32.463   1.424  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.118  32.910   0.236  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.807  32.790  -0.974  1.00  0.00           C  
HETATM   49 FE   UNL     1      -9.716  31.709  -5.071  1.00  0.00          Fe  
HETATM   50  H   UNL     1      -7.158  27.291  -6.653  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.488  25.850  -7.749  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.528  26.869  -8.866  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.278  29.329  -8.889  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.961  30.768  -7.798  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.162  29.279  -4.627  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.497  30.410  -2.338  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.893  28.980  -9.089  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.228  29.776  -9.843  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.694  29.967  -8.390  1.00  0.00           H  
HETATM   60  H   UNL     1     -14.959  29.808 -10.498  1.00  0.00           H  
HETATM   61  H   UNL     1     -14.230  31.100 -12.480  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.216  32.528 -12.334  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.956  32.685 -10.222  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.999  32.786  -7.748  1.00  0.00           H  
HETATM   65  H   UNL     1     -14.389  33.878  -5.450  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.264  35.982  -2.673  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.134  37.095  -1.502  1.00  0.00           H  
HETATM   68  H   UNL     1     -16.276  35.903  -1.194  1.00  0.00           H  
HETATM   69  H   UNL     1     -16.531  33.590  -2.024  1.00  0.00           H  
HETATM   70  H   UNL     1     -14.647  32.461  -3.148  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.484  34.432  -1.069  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.132  33.704  -0.349  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.618  31.309   0.175  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.414  31.540   2.314  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.153  32.561   2.357  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.133  33.354   0.249  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.350  33.148  -1.885  1.00  0.00           H  
CONECT    1    2    2    6   50                                       
CONECT    2    3    1    1   51                                       
CONECT    3    4    4    2   52                                       
CONECT    4    3    3    5   53                                       
CONECT    5    4    6    6   54                                       
CONECT    6    5    5    1    7                                       
CONECT    7   13    6    8    8                                       
CONECT    8    7    7   12    9                                       
CONECT    9    8   10   10   55                                       
CONECT   10    9    9   11   56                                       
CONECT   11   12   10   42   42                                       
CONECT   12    8   49   11                                            
CONECT   13   15   14   14    7                                       
CONECT   14   17   13   13   49                                       
CONECT   15   16   16   13   57                                       
CONECT   16   15   15   17   58                                       
CONECT   17   16   18   18   14                                       
CONECT   18   19   17   17   25                                       
CONECT   19   24   24   20   18                                       
CONECT   20   21   21   19   59                                       
CONECT   21   22   20   20   60                                       
CONECT   22   23   23   21   61                                       
CONECT   23   22   22   24   62                                       
CONECT   24   23   19   19   63                                       
CONECT   25   18   27   27   26                                       
CONECT   26   25   49   29                                            
CONECT   27   25   25   28   64                                       
CONECT   28   27   29   29   65                                       
CONECT   29   28   28   26   30                                       
CONECT   30   29   31   37   37                                       
CONECT   31   30   36   36   32                                       
CONECT   32   31   33   33   66                                       
CONECT   33   32   32   34   67                                       
CONECT   34   35   35   33   68                                       
CONECT   35   36   34   34   69                                       
CONECT   36   31   31   35   70                                       
CONECT   37   30   30   38   39                                       
CONECT   38   49   37   41   41                                       
CONECT   39   37   40   40   71                                       
CONECT   40   41   39   39   72                                       
CONECT   41   38   38   42   40                                       
CONECT   42   11   11   41   43                                       
CONECT   43   42   48   48   44                                       
CONECT   44   43   45   45   73                                       
CONECT   45   44   44   46   74                                       
CONECT   46   47   47   45   75                                       
CONECT   47   48   46   46   76                                       
CONECT   48   43   43   47   77                                       
CONECT   49   14   26   12   38                                       
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   44                                                      
CONECT   74   45                                                      
CONECT   75   46                                                      
CONECT   76   47                                                      
CONECT   77   48                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
