COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      35.267   2.142  25.279  1.00  0.00           C  
HETATM    2  CA  UNL     1      34.919   2.665  26.638  1.00  0.00           C  
HETATM    3  C   UNL     1      33.454   3.127  26.619  1.00  0.00           C  
HETATM    4  C   UNL     1      33.108   4.341  27.473  1.00  0.00           C  
HETATM    5  C   UNL     1      31.641   4.727  27.266  1.00  0.00           C  
HETATM    6  N   UNL     1      31.598   5.333  25.950  1.00  0.00           N  
HETATM    7  C   UNL     1      30.880   4.889  24.901  1.00  0.00           C  
HETATM    8  O   UNL     1      34.734   1.131  24.875  1.00  0.00           O  
HETATM    9  N   UNL     1      35.812   3.696  27.122  1.00  0.00           N  
HETATM   10  O   UNL     1      32.295   6.363  25.764  1.00  0.00           O  
HETATM   11  O   UNL     1      30.974   5.665  23.656  1.00  0.00           O  
HETATM   12  C   UNL     1      36.921   4.086  26.513  1.00  0.00           C  
HETATM   13  CA  UNL     1      37.119   3.734  25.074  1.00  0.00           C  
HETATM   14  C   UNL     1      37.138   5.012  24.248  1.00  0.00           C  
HETATM   15  C   UNL     1      35.883   5.195  23.413  1.00  0.00           C  
HETATM   16  C   UNL     1      35.723   6.666  23.054  1.00  0.00           C  
HETATM   17  O   UNL     1      37.775   4.720  27.095  1.00  0.00           O  
HETATM   18  N   UNL     1      36.141   2.811  24.543  1.00  0.00           N  
HETATM   19  C   UNL     1      29.123   3.390  22.901  1.00  0.00           C  
HETATM   20  C   UNL     1      29.322   2.974  24.316  1.00  0.00           C  
HETATM   21  C   UNL     1      28.605   1.737  24.796  1.00  0.00           C  
HETATM   22  C   UNL     1      27.149   1.835  24.370  1.00  0.00           C  
HETATM   23  O   UNL     1      26.396   2.300  25.486  1.00  0.00           O  
HETATM   24  C   UNL     1      30.082   3.665  25.172  1.00  0.00           C  
HETATM   25 FE   UNL     1      31.801   7.241  24.224  1.00  0.00          Fe  
HETATM   26  N   UNL     1      34.317   7.046  23.113  1.00  0.00           N  
HETATM   27  C   UNL     1      33.525   7.158  22.079  1.00  0.00           C  
HETATM   28  C   UNL     1      34.064   7.542  20.770  1.00  0.00           C  
HETATM   29  C   UNL     1      33.275   8.091  19.852  1.00  0.00           C  
HETATM   30  C   UNL     1      33.869   8.496  18.535  1.00  0.00           C  
HETATM   31  C   UNL     1      33.325   9.860  18.121  1.00  0.00           C  
HETATM   32  O   UNL     1      33.968  10.954  18.773  1.00  0.00           O  
HETATM   33  O   UNL     1      33.695   7.275  24.195  1.00  0.00           O  
HETATM   34  O   UNL     1      32.147   6.957  22.430  1.00  0.00           O  
HETATM   35  C   UNL     1      33.216  11.902  19.585  1.00  0.00           C  
HETATM   36  C   UNL     1      33.518  12.171  21.026  1.00  0.00           C  
HETATM   37  C   UNL     1      32.584  11.414  21.952  1.00  0.00           C  
HETATM   38  C   UNL     1      32.402  12.144  23.271  1.00  0.00           C  
HETATM   39  C   UNL     1      32.557  11.179  24.431  1.00  0.00           C  
HETATM   40  N   UNL     1      31.800   9.989  24.073  1.00  0.00           N  
HETATM   41  C   UNL     1      30.516   9.763  24.242  1.00  0.00           C  
HETATM   42  C   UNL     1      29.372  10.702  24.153  1.00  0.00           C  
HETATM   43  C   UNL     1      28.832  11.095  22.993  1.00  0.00           C  
HETATM   44  C   UNL     1      27.639  12.034  23.005  1.00  0.00           C  
HETATM   45  C   UNL     1      28.021  13.501  23.105  1.00  0.00           C  
HETATM   46  O   UNL     1      29.286  13.733  22.491  1.00  0.00           O  
HETATM   47  O   UNL     1      32.316  12.517  19.055  1.00  0.00           O  
HETATM   48  O   UNL     1      32.358   8.943  23.623  1.00  0.00           O  
HETATM   49  O   UNL     1      30.342   8.380  24.526  1.00  0.00           O  
HETATM   50  C   UNL     1      29.377  10.586  21.696  1.00  0.00           C  
HETATM   51  N   UNL     1      33.396  13.588  21.299  1.00  0.00           N  
HETATM   52  C   UNL     1      34.393  14.444  21.117  1.00  0.00           C  
HETATM   53  O   UNL     1      35.388  14.154  20.485  1.00  0.00           O  
HETATM   54  C   UNL     1      34.207  15.799  21.727  1.00  0.00           C  
HETATM   55  HA  UNL     1      34.975   1.817  27.337  1.00  0.00           H  
HETATM   56  H   UNL     1      33.194   3.367  25.578  1.00  0.00           H  
HETATM   57  H   UNL     1      32.835   2.287  26.967  1.00  0.00           H  
HETATM   58  H   UNL     1      33.275   4.100  28.533  1.00  0.00           H  
HETATM   59  H   UNL     1      33.751   5.185  27.183  1.00  0.00           H  
HETATM   60  H   UNL     1      31.318   5.445  28.034  1.00  0.00           H  
HETATM   61  H   UNL     1      30.997   3.836  27.303  1.00  0.00           H  
HETATM   62  H   UNL     1      35.573   4.148  27.981  1.00  0.00           H  
HETATM   63  HA  UNL     1      38.113   3.271  24.980  1.00  0.00           H  
HETATM   64  H   UNL     1      38.007   4.981  23.574  1.00  0.00           H  
HETATM   65  H   UNL     1      37.234   5.869  24.930  1.00  0.00           H  
HETATM   66  H   UNL     1      35.007   4.861  23.989  1.00  0.00           H  
HETATM   67  H   UNL     1      35.965   4.599  22.492  1.00  0.00           H  
HETATM   68  H   UNL     1      36.103   6.835  22.036  1.00  0.00           H  
HETATM   69  H   UNL     1      36.296   7.279  23.766  1.00  0.00           H  
HETATM   70  H   UNL     1      36.123   2.668  23.553  1.00  0.00           H  
HETATM   71  H   UNL     1      29.705   4.302  22.701  1.00  0.00           H  
HETATM   72  H   UNL     1      29.460   2.585  22.231  1.00  0.00           H  
HETATM   73  H   UNL     1      28.056   3.591  22.725  1.00  0.00           H  
HETATM   74  H   UNL     1      29.064   0.843  24.348  1.00  0.00           H  
HETATM   75  H   UNL     1      28.668   1.672  25.892  1.00  0.00           H  
HETATM   76  H   UNL     1      27.051   2.542  23.533  1.00  0.00           H  
HETATM   77  H   UNL     1      26.783   0.845  24.059  1.00  0.00           H  
HETATM   78  H   UNL     1      25.480   2.370  25.244  1.00  0.00           H  
HETATM   79  H   UNL     1      30.121   3.288  26.183  1.00  0.00           H  
HETATM   80  H   UNL     1      35.109   7.378  20.551  1.00  0.00           H  
HETATM   81  H   UNL     1      33.605   7.750  17.771  1.00  0.00           H  
HETATM   82  H   UNL     1      34.963   8.553  18.630  1.00  0.00           H  
HETATM   83  H   UNL     1      33.461   9.974  17.035  1.00  0.00           H  
HETATM   84  H   UNL     1      32.252   9.894  18.361  1.00  0.00           H  
HETATM   85  H   UNL     1      34.549  11.849  21.235  1.00  0.00           H  
HETATM   86  H   UNL     1      31.604  11.307  21.464  1.00  0.00           H  
HETATM   87  H   UNL     1      33.006  10.417  22.149  1.00  0.00           H  
HETATM   88  H   UNL     1      33.160  12.937  23.355  1.00  0.00           H  
HETATM   89  H   UNL     1      31.398  12.592  23.303  1.00  0.00           H  
HETATM   90  H   UNL     1      33.618  10.926  24.578  1.00  0.00           H  
HETATM   91  H   UNL     1      32.155  11.624  25.353  1.00  0.00           H  
HETATM   92  H   UNL     1      28.953  11.088  25.070  1.00  0.00           H  
HETATM   93  H   UNL     1      27.070  11.885  22.075  1.00  0.00           H  
HETATM   94  H   UNL     1      27.005  11.780  23.867  1.00  0.00           H  
HETATM   95  H   UNL     1      28.076  13.789  24.165  1.00  0.00           H  
HETATM   96  H   UNL     1      27.257  14.109  22.599  1.00  0.00           H  
HETATM   97  H   UNL     1      29.509  14.654  22.562  1.00  0.00           H  
HETATM   98  H   UNL     1      30.234   9.924  21.892  1.00  0.00           H  
HETATM   99  H   UNL     1      28.594  10.025  21.165  1.00  0.00           H  
HETATM  100  H   UNL     1      29.704  11.435  21.077  1.00  0.00           H  
HETATM  101  H   UNL     1      32.523  13.936  21.639  1.00  0.00           H  
HETATM  102  H   UNL     1      35.083  16.426  21.504  1.00  0.00           H  
HETATM  103  H   UNL     1      33.305  16.269  21.309  1.00  0.00           H  
HETATM  104  H   UNL     1      34.096  15.698  22.817  1.00  0.00           H  
HETATM  105  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
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   18    8    8    2                                       
CONECT    2    1    3    9   55                                       
CONECT    3    2    4   56   57                                       
CONECT    4    3    5   58   59                                       
CONECT    5    6    4   60   61                                       
CONECT    6    7   10    5                                            
CONECT    7   11   11   24    6                                       
CONECT    8    1    1                                                 
CONECT    9   12    2   62                                            
CONECT   10   25    6                                                 
CONECT   11   25    7    7                                            
CONECT   12   13   17   17    9                                       
CONECT   13   14   18   12   63                                       
CONECT   14   15   13   64   65                                       
CONECT   15   16   14   66   67                                       
CONECT   16   26   15   68   69                                       
CONECT   17   12   12                                                 
CONECT   18   13    1   70                                            
CONECT   19   20   71   72   73                                       
CONECT   20   19   21   24   24                                       
CONECT   21   20   22   74   75                                       
CONECT   22   21   23   76   77                                       
CONECT   23   22   78                                                 
CONECT   24   20   20    7   79                                       
CONECT   25   34   48   11   33                                       
CONECT   25   49   10                                                 
CONECT   26   27   16   33                                            
CONECT   27   28   34   34   26                                       
CONECT   28   29   29   27   80                                       
CONECT   29   30   28   28  105                                       
CONECT   30   31   29   81   82                                       
CONECT   31   30   32   83   84                                       
CONECT   32   31   35                                                 
CONECT   33   26   25                                                 
CONECT   34   27   27   25                                            
CONECT   35   32   47   47   36                                       
CONECT   36   35   51   37   85                                       
CONECT   37   36   38   86   87                                       
CONECT   38   37   39   88   89                                       
CONECT   39   38   40   90   91                                       
CONECT   40   48   41   39                                            
CONECT   41   40   42   49   49                                       
CONECT   42   43   43   41   92                                       
CONECT   43   50   44   42   42                                       
CONECT   44   43   45   93   94                                       
CONECT   45   46   44   95   96                                       
CONECT   46   45   97                                                 
CONECT   47   35   35                                                 
CONECT   48   40   25                                                 
CONECT   49   25   41   41                                            
CONECT   50   43   98   99  100                                       
CONECT   51   36   52  101                                            
CONECT   52   53   53   51   54                                       
CONECT   53   52   52                                                 
CONECT   54   52  102  103  104                                       
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    9                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   42                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   50                                                      
CONECT   99   50                                                      
CONECT  100   50                                                      
CONECT  101   51                                                      
CONECT  102   54                                                      
CONECT  103   54                                                      
CONECT  104   54                                                      
CONECT  105   29  106  107  108                                       
CONECT  106  105                                                      
CONECT  107  105                                                      
CONECT  108  105                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
