COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      28.670 103.449 -29.193  1.00  0.00           O  
HETATM    2  C   UNL     1      27.569 102.982 -28.792  1.00  0.00           C  
HETATM    3  O   UNL     1      27.291 101.760 -28.660  1.00  0.00           O  
HETATM    4  C   UNL     1      26.493 103.975 -28.441  1.00  0.00           C  
HETATM    5  C   UNL     1      25.257 103.986 -29.336  1.00  0.00           C  
HETATM    6  C   UNL     1      24.296 105.192 -29.269  1.00  0.00           C  
HETATM    7  C   UNL     1      24.170 106.239 -30.084  1.00  0.00           C  
HETATM    8  C   UNL     1      23.121 107.084 -29.553  1.00  0.00           C  
HETATM    9  C   UNL     1      22.691 108.277 -30.092  1.00  0.00           C  
HETATM   10  C   UNL     1      21.627 109.027 -29.642  1.00  0.00           C  
HETATM   11  N   UNL     1      20.922 108.791 -28.476  1.00  0.00           N1+
HETATM   12  C   UNL     1      19.928 109.752 -28.435  1.00  0.00           C  
HETATM   13  C   UNL     1      18.994 109.886 -27.431  1.00  0.00           C  
HETATM   14  C   UNL     1      18.857 109.030 -26.359  1.00  0.00           C  
HETATM   15  C   UNL     1      17.863 109.159 -25.314  1.00  0.00           C  
HETATM   16  C   UNL     1      18.049 108.157 -24.446  1.00  0.00           C  
HETATM   17  C   UNL     1      19.144 107.357 -24.953  1.00  0.00           C  
HETATM   18  C   UNL     1      19.649 106.225 -24.355  1.00  0.00           C  
HETATM   19  C   UNL     1      20.673 105.444 -24.836  1.00  0.00           C  
HETATM   20  C   UNL     1      21.169 104.240 -24.202  1.00  0.00           C  
HETATM   21  C   UNL     1      22.158 103.775 -24.968  1.00  0.00           C  
HETATM   22  C   UNL     1      22.285 104.661 -26.107  1.00  0.00           C  
HETATM   23  N   UNL     1      21.365 105.688 -26.010  1.00  0.00           N1+
HETATM   24 FE   UNL     1      21.098 107.203 -27.285  1.00  0.00          Fe  
HETATM   25  N   UNL     1      22.617 106.528 -28.391  1.00  0.00           N  
HETATM   26  C   UNL     1      23.328 105.358 -28.203  1.00  0.00           C  
HETATM   27  C   UNL     1      23.183 104.498 -27.137  1.00  0.00           C  
HETATM   28  N   UNL     1      19.628 107.904 -26.131  1.00  0.00           N  
HETATM   29  C   UNL     1      23.043 102.522 -24.779  1.00  0.00           C  
HETATM   30  C   UNL     1      20.641 103.697 -22.855  1.00  0.00           C  
HETATM   31  C   UNL     1      19.779 102.447 -22.874  1.00  0.00           C  
HETATM   32  C   UNL     1      19.541 101.700 -21.594  1.00  0.00           C  
HETATM   33  O   UNL     1      20.349 101.850 -20.640  1.00  0.00           O  
HETATM   34  O   UNL     1      18.527 100.947 -21.563  1.00  0.00           O  
HETATM   35  C   UNL     1      17.271 107.897 -23.141  1.00  0.00           C  
HETATM   36  C   UNL     1      16.837 106.502 -22.737  1.00  0.00           C  
HETATM   37  C   UNL     1      16.231 106.327 -21.371  1.00  0.00           C  
HETATM   38  O   UNL     1      16.530 107.146 -20.462  1.00  0.00           O  
HETATM   39  O   UNL     1      15.443 105.352 -21.228  1.00  0.00           O  
HETATM   40  C   UNL     1      16.855 110.326 -25.242  1.00  0.00           C  
HETATM   41  C   UNL     1      20.018 110.595 -29.611  1.00  0.00           C  
HETATM   42  C   UNL     1      21.038 110.148 -30.344  1.00  0.00           C  
HETATM   43  C   UNL     1      21.573 110.693 -31.687  1.00  0.00           C  
HETATM   44  C   UNL     1      20.955 110.126 -32.960  1.00  0.00           C  
HETATM   45  C   UNL     1      20.984 111.020 -34.170  1.00  0.00           C  
HETATM   46  O   UNL     1      21.397 110.496 -35.233  1.00  0.00           O  
HETATM   47  O   UNL     1      20.597 112.209 -34.030  1.00  0.00           O  
HETATM   48  C   UNL     1      19.074 111.778 -29.901  1.00  0.00           C  
HETATM   49  C   UNL     1      24.960 106.562 -31.372  1.00  0.00           C  
HETATM   50  H   UNL     1      28.879 104.370 -29.292  1.00  0.00           H  
HETATM   51  H   UNL     1      26.185 103.834 -27.378  1.00  0.00           H  
HETATM   52  H   UNL     1      26.929 104.999 -28.392  1.00  0.00           H  
HETATM   53  H   UNL     1      25.578 103.841 -30.393  1.00  0.00           H  
HETATM   54  H   UNL     1      24.674 103.052 -29.155  1.00  0.00           H  
HETATM   55  H   UNL     1      23.248 108.666 -30.960  1.00  0.00           H  
HETATM   56  H   UNL     1      18.303 110.743 -27.489  1.00  0.00           H  
HETATM   57  H   UNL     1      19.190 105.914 -23.401  1.00  0.00           H  
HETATM   58  H   UNL     1      23.836 103.610 -27.105  1.00  0.00           H  
HETATM   59  H   UNL     1      23.869 102.133 -25.419  1.00  0.00           H  
HETATM   60  H   UNL     1      23.485 102.627 -23.761  1.00  0.00           H  
HETATM   61  H   UNL     1      22.328 101.672 -24.675  1.00  0.00           H  
HETATM   62  H   UNL     1      21.501 103.535 -22.164  1.00  0.00           H  
HETATM   63  H   UNL     1      20.092 104.509 -22.324  1.00  0.00           H  
HETATM   64  H   UNL     1      18.792 102.700 -23.328  1.00  0.00           H  
HETATM   65  H   UNL     1      20.193 101.738 -23.629  1.00  0.00           H  
HETATM   66  H   UNL     1      18.376 100.474 -20.752  1.00  0.00           H  
HETATM   67  H   UNL     1      17.861 108.328 -22.299  1.00  0.00           H  
HETATM   68  H   UNL     1      16.365 108.548 -23.147  1.00  0.00           H  
HETATM   69  H   UNL     1      16.136 106.098 -23.504  1.00  0.00           H  
HETATM   70  H   UNL     1      17.697 105.802 -22.849  1.00  0.00           H  
HETATM   71  H   UNL     1      15.060 105.241 -20.365  1.00  0.00           H  
HETATM   72  H   UNL     1      16.089 110.425 -24.437  1.00  0.00           H  
HETATM   73  H   UNL     1      17.442 111.273 -25.259  1.00  0.00           H  
HETATM   74  H   UNL     1      16.316 110.359 -26.217  1.00  0.00           H  
HETATM   75  H   UNL     1      21.489 111.804 -31.696  1.00  0.00           H  
HETATM   76  H   UNL     1      22.680 110.568 -31.724  1.00  0.00           H  
HETATM   77  H   UNL     1      21.428 109.146 -33.204  1.00  0.00           H  
HETATM   78  H   UNL     1      19.908 109.800 -32.757  1.00  0.00           H  
HETATM   79  H   UNL     1      20.615 112.773 -34.793  1.00  0.00           H  
HETATM   80  H   UNL     1      19.143 112.426 -30.805  1.00  0.00           H  
HETATM   81  H   UNL     1      18.032 111.381 -29.862  1.00  0.00           H  
HETATM   82  H   UNL     1      19.112 112.451 -29.013  1.00  0.00           H  
HETATM   83  H   UNL     1      24.854 107.437 -32.053  1.00  0.00           H  
HETATM   84  H   UNL     1      26.034 106.543 -31.074  1.00  0.00           H  
HETATM   85  H   UNL     1      24.849 105.663 -32.022  1.00  0.00           H  
CONECT    1    2   50                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   51   52                                       
CONECT    5    4    6   53   54                                       
CONECT    6    5    7    7   26                                       
CONECT    7    6    6    8   49                                       
CONECT    8    7    9    9   25                                       
CONECT    9    8    8   10   55                                       
CONECT   10    9   11   11   42                                       
CONECT   11   10   10   12   24                                       
CONECT   12   11   13   13   41                                       
CONECT   13   12   12   14   56                                       
CONECT   14   13   15   15   28                                       
CONECT   15   14   14   16   40                                       
CONECT   16   15   17   17   35                                       
CONECT   17   16   16   18   28                                       
CONECT   18   17   19   19   57                                       
CONECT   19   18   18   20   23                                       
CONECT   20   19   21   21   30                                       
CONECT   21   20   20   22   29                                       
CONECT   22   21   23   23   27                                       
CONECT   23   19   22   22   24                                       
CONECT   24   11   23   25   28                                       
CONECT   25    8   24   26                                            
CONECT   26    6   25   27   27                                       
CONECT   27   22   26   26   58                                       
CONECT   28   14   17   24                                            
CONECT   29   21   59   60   61                                       
CONECT   30   20   31   62   63                                       
CONECT   31   30   32   64   65                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   66                                                 
CONECT   35   16   36   67   68                                       
CONECT   36   35   37   69   70                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   71                                                 
CONECT   40   15   72   73   74                                       
CONECT   41   12   42   42   48                                       
CONECT   42   10   41   41   43                                       
CONECT   43   42   44   75   76                                       
CONECT   44   43   45   77   78                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   79                                                 
CONECT   48   41   80   81   82                                       
CONECT   49    7   83   84   85                                       
CONECT   50    1                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    9                                                      
CONECT   56   13                                                      
CONECT   57   18                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
CONECT   79   47                                                      
CONECT   80   48                                                      
CONECT   81   48                                                      
CONECT   82   48                                                      
CONECT   83   49                                                      
CONECT   84   49                                                      
CONECT   85   49                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
