COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      98.839  26.429 108.546  1.00  0.00           O  
HETATM    2  C   UNL     1      97.751  26.661 107.961  1.00  0.00           C  
HETATM    3  O   UNL     1      97.362  26.056 106.928  1.00  0.00           O  
HETATM    4  C   UNL     1      96.883  27.725 108.579  1.00  0.00           C  
HETATM    5  C   UNL     1      95.626  27.981 107.785  1.00  0.00           C  
HETATM    6  C   UNL     1      95.540  28.372 106.362  1.00  0.00           C  
HETATM    7  C   UNL     1      96.687  28.577 105.395  1.00  0.00           C  
HETATM    8  C   UNL     1      96.897  30.076 105.122  1.00  0.00           C  
HETATM    9  C   UNL     1      95.748  30.587 104.291  1.00  0.00           C  
HETATM   10  O   UNL     1      95.458  29.900 103.289  1.00  0.00           O  
HETATM   11  O   UNL     1      95.114  31.617 104.633  1.00  0.00           O  
HETATM   12  C   UNL     1      94.072  28.498 106.155  1.00  0.00           C  
HETATM   13  C   UNL     1      93.475  28.835 104.843  1.00  0.00           C  
HETATM   14  C   UNL     1      94.204  27.919 108.224  1.00  0.00           C  
HETATM   15  C   UNL     1      93.808  27.602 109.622  1.00  0.00           C  
HETATM   16  N   UNL     1      93.331  28.200 107.237  1.00  0.00           N  
HETATM   17 FE   UNL     1      91.251  28.324 107.413  1.00  0.00          Fe  
HETATM   18  N   UNL     1      91.428  28.207 109.491  1.00  0.00           N  
HETATM   19  C   UNL     1      90.483  28.498 110.383  1.00  0.00           C  
HETATM   20  C   UNL     1      90.882  28.372 111.784  1.00  0.00           C  
HETATM   21  C   UNL     1      90.031  28.596 112.978  1.00  0.00           C  
HETATM   22  C   UNL     1      89.125  27.393 113.068  1.00  0.00           C  
HETATM   23  C   UNL     1      88.138  27.702 114.173  1.00  0.00           C  
HETATM   24  O   UNL     1      86.922  27.412 114.023  1.00  0.00           O  
HETATM   25  O   UNL     1      88.574  28.250 115.217  1.00  0.00           O  
HETATM   26  C   UNL     1      92.288  27.971 111.704  1.00  0.00           C  
HETATM   27  C   UNL     1      93.220  27.661 112.844  1.00  0.00           C  
HETATM   28  C   UNL     1      92.884  26.238 113.254  1.00  0.00           C  
HETATM   29  O   UNL     1      91.966  26.068 114.102  1.00  0.00           O  
HETATM   30  O   UNL     1      93.518  25.304 112.702  1.00  0.00           O  
HETATM   31  C   UNL     1      92.506  27.899 110.230  1.00  0.00           C  
HETATM   32  N   UNL     1      89.175  28.519 107.613  1.00  0.00           N  
HETATM   33  C   UNL     1      88.255  28.531 106.647  1.00  0.00           C  
HETATM   34  C   UNL     1      86.858  28.768 107.128  1.00  0.00           C  
HETATM   35  C   UNL     1      85.589  28.820 106.314  1.00  0.00           C  
HETATM   36  C   UNL     1      85.709  29.938 105.267  1.00  0.00           C  
HETATM   37  C   UNL     1      85.470  31.331 105.819  1.00  0.00           C  
HETATM   38  O   UNL     1      84.564  31.499 106.666  1.00  0.00           O  
HETATM   39  O   UNL     1      86.179  32.278 105.388  1.00  0.00           O  
HETATM   40  C   UNL     1      87.000  28.944 108.593  1.00  0.00           C  
HETATM   41  C   UNL     1      85.893  29.211 109.618  1.00  0.00           C  
HETATM   42  C   UNL     1      86.347  29.447 111.070  1.00  0.00           C  
HETATM   43  O   UNL     1      86.010  30.514 111.654  1.00  0.00           O  
HETATM   44  O   UNL     1      87.037  28.583 111.671  1.00  0.00           O  
HETATM   45  C   UNL     1      88.482  28.793 108.743  1.00  0.00           C  
HETATM   46  C   UNL     1      89.125  28.865 110.050  1.00  0.00           C  
HETATM   47  N   UNL     1      91.081  28.504 105.345  1.00  0.00           N  
HETATM   48  C   UNL     1      92.051  28.756 104.457  1.00  0.00           C  
HETATM   49  C   UNL     1      91.571  28.868 103.055  1.00  0.00           C  
HETATM   50  C   UNL     1      90.119  28.720 103.205  1.00  0.00           C  
HETATM   51  C   UNL     1      88.979  28.677 102.229  1.00  0.00           C  
HETATM   52  C   UNL     1      88.378  27.273 102.426  1.00  0.00           C  
HETATM   53  O   UNL     1      87.342  27.113 103.129  1.00  0.00           O  
HETATM   54  O   UNL     1      88.952  26.275 101.917  1.00  0.00           O  
HETATM   55  C   UNL     1      89.958  28.496 104.648  1.00  0.00           C  
HETATM   56  C   UNL     1      88.619  28.342 105.235  1.00  0.00           C  
HETATM   57  C   UNL     1      92.342  29.130 101.798  1.00  0.00           C  
HETATM   58  C   UNL     1      92.901  27.876 101.169  1.00  0.00           C  
HETATM   59  C   UNL     1      93.243  28.234  99.727  1.00  0.00           C  
HETATM   60  O   UNL     1      94.343  28.786  99.467  1.00  0.00           O  
HETATM   61  O   UNL     1      92.404  27.984  98.826  1.00  0.00           O  
HETATM   62  H   UNL     1      99.304  25.739 108.088  1.00  0.00           H  
HETATM   63  H   UNL     1      97.459  28.660 108.637  1.00  0.00           H  
HETATM   64  H   UNL     1      96.600  27.404 109.593  1.00  0.00           H  
HETATM   65  H   UNL     1      96.459  28.065 104.449  1.00  0.00           H  
HETATM   66  H   UNL     1      97.606  28.155 105.828  1.00  0.00           H  
HETATM   67  H   UNL     1      97.841  30.223 104.577  1.00  0.00           H  
HETATM   68  H   UNL     1      96.935  30.623 106.076  1.00  0.00           H  
HETATM   69  H   UNL     1      94.406  31.772 104.019  1.00  0.00           H  
HETATM   70  H   UNL     1      94.159  29.178 104.081  1.00  0.00           H  
HETATM   71  H   UNL     1      94.542  27.111 110.243  1.00  0.00           H  
HETATM   72  H   UNL     1      90.653  28.676 113.882  1.00  0.00           H  
HETATM   73  H   UNL     1      89.438  29.514 112.859  1.00  0.00           H  
HETATM   74  H   UNL     1      88.597  27.239 112.115  1.00  0.00           H  
HETATM   75  H   UNL     1      89.707  26.493 113.315  1.00  0.00           H  
HETATM   76  H   UNL     1      87.857  28.391 115.824  1.00  0.00           H  
HETATM   77  H   UNL     1      94.268  27.731 112.516  1.00  0.00           H  
HETATM   78  H   UNL     1      93.050  28.354 113.681  1.00  0.00           H  
HETATM   79  H   UNL     1      91.838  25.138 114.249  1.00  0.00           H  
HETATM   80  H   UNL     1      84.735  29.025 106.976  1.00  0.00           H  
HETATM   81  H   UNL     1      85.437  27.856 105.807  1.00  0.00           H  
HETATM   82  H   UNL     1      84.971  29.749 104.474  1.00  0.00           H  
HETATM   83  H   UNL     1      86.722  29.905 104.840  1.00  0.00           H  
HETATM   84  H   UNL     1      84.519  32.418 106.904  1.00  0.00           H  
HETATM   85  H   UNL     1      85.342  30.105 109.290  1.00  0.00           H  
HETATM   86  H   UNL     1      85.218  28.343 109.615  1.00  0.00           H  
HETATM   87  H   UNL     1      87.222  28.882 112.553  1.00  0.00           H  
HETATM   88  H   UNL     1      88.517  29.235 110.862  1.00  0.00           H  
HETATM   89  H   UNL     1      89.341  28.807 101.198  1.00  0.00           H  
HETATM   90  H   UNL     1      88.237  29.456 102.458  1.00  0.00           H  
HETATM   91  H   UNL     1      87.130  26.188 103.175  1.00  0.00           H  
HETATM   92  H   UNL     1      87.823  28.062 104.561  1.00  0.00           H  
HETATM   93  H   UNL     1      93.178  29.804 102.035  1.00  0.00           H  
HETATM   94  H   UNL     1      91.673  29.616 101.073  1.00  0.00           H  
HETATM   95  H   UNL     1      92.152  27.071 101.194  1.00  0.00           H  
HETATM   96  H   UNL     1      93.805  27.552 101.705  1.00  0.00           H  
HETATM   97  H   UNL     1      94.399  28.957  98.534  1.00  0.00           H  
CONECT    1    2   62                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   63   64                                       
CONECT    5    6    6   14    4                                       
CONECT    6    7   12    5    5                                       
CONECT    7    8    6   65   66                                       
CONECT    8    9    7   67   68                                       
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11    9   69                                                 
CONECT   12   13    6   16   16                                       
CONECT   13   48   48   12   70                                       
CONECT   14   16    5   15   15                                       
CONECT   15   14   14   31   71                                       
CONECT   16   12   12   17   14                                       
CONECT   17   47   16   32   18                                       
CONECT   18   17   31   19                                            
CONECT   19   18   46   20   20                                       
CONECT   20   19   19   26   21                                       
CONECT   21   20   22   72   73                                       
CONECT   22   21   23   74   75                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   76                                                 
CONECT   26   31   31   20   27                                       
CONECT   27   26   28   77   78                                       
CONECT   28   30   30   27   29                                       
CONECT   29   28   79                                                 
CONECT   30   28   28                                                 
CONECT   31   18   15   26   26                                       
CONECT   32   33   33   17   45                                       
CONECT   33   56   34   32   32                                       
CONECT   34   35   33   40   40                                       
CONECT   35   36   34   80   81                                       
CONECT   36   37   35   82   83                                       
CONECT   37   36   39   39   38                                       
CONECT   38   37   84                                                 
CONECT   39   37   37                                                 
CONECT   40   34   34   45   41                                       
CONECT   41   40   42   85   86                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   87                                                 
CONECT   45   32   40   46   46                                       
CONECT   46   45   45   19   88                                       
CONECT   47   48   55   17                                            
CONECT   48   49   13   13   47                                       
CONECT   49   57   50   50   48                                       
CONECT   50   51   49   49   55                                       
CONECT   51   52   50   89   90                                       
CONECT   52   54   54   51   53                                       
CONECT   53   52   91                                                 
CONECT   54   52   52                                                 
CONECT   55   50   56   56   47                                       
CONECT   56   55   55   33   92                                       
CONECT   57   58   49   93   94                                       
CONECT   58   59   57   95   96                                       
CONECT   59   61   61   60   58                                       
CONECT   60   59   97                                                 
CONECT   61   59   59                                                 
CONECT   62    1                                                      
CONECT   63    4                                                      
CONECT   64    4                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69   11                                                      
CONECT   70   13                                                      
CONECT   71   15                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   25                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   29                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   38                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   44                                                      
CONECT   88   46                                                      
CONECT   89   51                                                      
CONECT   90   51                                                      
CONECT   91   53                                                      
CONECT   92   56                                                      
CONECT   93   57                                                      
CONECT   94   57                                                      
CONECT   95   58                                                      
CONECT   96   58                                                      
CONECT   97   60                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
