COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -30.974 -32.699 -14.639  1.00  0.00           C  
HETATM    2  C   UNL     1     -32.474 -35.075 -12.989  1.00  0.00           C  
HETATM    3  C   UNL     1     -34.043 -36.613 -10.044  1.00  0.00           C  
HETATM    4  C   UNL     1     -34.010 -39.150  -9.686  1.00  0.00           C  
HETATM    5  C   UNL     1     -33.067 -40.186  -9.977  1.00  0.00           C  
HETATM    6  C   UNL     1     -33.278 -41.512  -9.508  1.00  0.00           C  
HETATM    7  O   UNL     1     -26.764 -29.460 -18.051  1.00  0.00           O  
HETATM    8  C   UNL     1     -26.813 -29.728 -16.679  1.00  0.00           C  
HETATM    9  N   UNL     1     -27.454 -30.813 -16.253  1.00  0.00           N  
HETATM   10  C   UNL     1     -27.472 -30.843 -14.787  1.00  0.00           C  
HETATM   11  C   UNL     1     -27.166 -29.375 -14.434  1.00  0.00           C  
HETATM   12  C   UNL     1     -28.488 -28.713 -13.984  1.00  0.00           C  
HETATM   13  S   UNL     1     -29.864 -29.645 -14.495  1.00  0.00           S  
HETATM   14  C   UNL     1     -28.899 -31.181 -14.399  1.00  0.00           C  
HETATM   15  C   UNL     1     -29.491 -32.483 -15.007  1.00  0.00           C  
HETATM   16  C   UNL     1     -31.584 -34.031 -15.068  1.00  0.00           C  
HETATM   17  C   UNL     1     -32.853 -34.351 -14.278  1.00  0.00           C  
HETATM   18  O   UNL     1     -31.447 -35.777 -12.939  1.00  0.00           O  
HETATM   19  N   UNL     1     -33.342 -34.901 -11.881  1.00  0.00           N  
HETATM   20  C   UNL     1     -33.050 -35.529 -10.550  1.00  0.00           C  
HETATM   21  O   UNL     1     -35.177 -36.587 -10.516  1.00  0.00           O  
HETATM   22  N   UNL     1     -33.571 -37.766  -9.471  1.00  0.00           N  
HETATM   23  C   UNL     1     -32.194 -42.299  -8.780  1.00  0.00           C  
HETATM   24  S   UNL     1     -31.015 -41.393  -7.575  1.00  0.00           S  
HETATM   25 FE   UNL     1     -32.107 -41.002  -5.611  1.00  0.00          Fe1+
HETATM   26  S   UNL     1     -33.916 -39.582  -5.405  1.00  0.00           S1-
HETATM   27 FE   UNL     1     -34.041 -41.741  -4.903  1.00  0.00          Fe  
HETATM   28  S   UNL     1     -35.477 -42.689  -6.443  1.00  0.00           S  
HETATM   29  C   UNL     1     -36.141 -41.208  -7.425  1.00  0.00           C  
HETATM   30  C   UNL     1     -35.523 -40.922  -8.788  1.00  0.00           C  
HETATM   31  C   UNL     1     -34.633 -41.882  -9.318  1.00  0.00           C  
HETATM   32  C   UNL     1     -35.291 -39.567  -9.191  1.00  0.00           C  
HETATM   33  S   UNL     1     -32.213 -43.076  -4.864  1.00  0.00           S1-
HETATM   34 FE   UNL     1     -32.037 -41.781  -2.962  1.00  0.00          Fe  
HETATM   35  S   UNL     1     -30.439 -42.566  -1.488  1.00  0.00           S  
HETATM   36  C   UNL     1     -29.302 -41.232  -0.730  1.00  0.00           C  
HETATM   37  C   UNL     1     -29.711 -40.563   0.579  1.00  0.00           C  
HETATM   38  C   UNL     1     -30.992 -39.960   0.598  1.00  0.00           C  
HETATM   39  C   UNL     1     -31.112 -38.550   0.624  1.00  0.00           C  
HETATM   40  C   UNL     1     -30.266 -37.938   1.602  1.00  0.00           C  
HETATM   41  C   UNL     1     -28.862 -38.451   1.725  1.00  0.00           C  
HETATM   42  N   UNL     1     -28.090 -37.872   2.829  1.00  0.00           N  
HETATM   43  C   UNL     1     -26.716 -37.557   2.968  1.00  0.00           C  
HETATM   44  O   UNL     1     -25.877 -38.249   3.567  1.00  0.00           O  
HETATM   45  C   UNL     1     -26.384 -36.014   3.073  1.00  0.00           C  
HETATM   46  N   UNL     1     -25.770 -35.566   4.343  1.00  0.00           N  
HETATM   47  C   UNL     1     -26.607 -35.578   5.486  1.00  0.00           C  
HETATM   48  O   UNL     1     -27.686 -36.213   5.481  1.00  0.00           O  
HETATM   49  C   UNL     1     -26.196 -35.081   6.865  1.00  0.00           C  
HETATM   50  C   UNL     1     -27.377 -34.600   7.710  1.00  0.00           C  
HETATM   51  C   UNL     1     -27.878 -33.383   6.964  1.00  0.00           C  
HETATM   52  C   UNL     1     -29.038 -32.710   7.702  1.00  0.00           C  
HETATM   53  C   UNL     1     -29.474 -31.365   7.094  1.00  0.00           C  
HETATM   54  S   UNL     1     -28.342 -29.956   7.223  1.00  0.00           S  
HETATM   55  C   UNL     1     -29.557 -28.944   6.380  1.00  0.00           C  
HETATM   56  C   UNL     1     -30.907 -29.310   7.026  1.00  0.00           C  
HETATM   57  N   UNL     1     -31.215 -28.595   8.295  1.00  0.00           N  
HETATM   58  C   UNL     1     -31.366 -29.542   9.275  1.00  0.00           C  
HETATM   59  O   UNL     1     -31.419 -29.196  10.609  1.00  0.00           O  
HETATM   60  N   UNL     1     -30.949 -30.740   8.906  1.00  0.00           N  
HETATM   61  C   UNL     1     -30.863 -30.810   7.456  1.00  0.00           C  
HETATM   62  C   UNL     1     -28.760 -39.937   1.451  1.00  0.00           C  
HETATM   63  C   UNL     1     -31.431 -37.874  -0.714  1.00  0.00           C  
HETATM   64  S   UNL     1     -33.120 -38.198  -1.536  1.00  0.00           S  
HETATM   65 FE   UNL     1     -33.086 -39.786  -3.226  1.00  0.00          Fe1+
HETATM   66  S   UNL     1     -30.898 -40.116  -3.860  1.00  0.00           S1-
HETATM   67  S   UNL     1     -34.323 -41.575  -2.619  1.00  0.00           S1-
HETATM   68  N   UNL     1     -26.715 -28.780 -15.696  1.00  0.00           N  
HETATM   69  H   UNL     1     -31.063 -32.625 -13.545  1.00  0.00           H  
HETATM   70  H   UNL     1     -31.558 -31.895 -15.110  1.00  0.00           H  
HETATM   71  H   UNL     1     -32.186 -39.959 -10.559  1.00  0.00           H  
HETATM   72  H   UNL     1     -27.864 -31.507 -16.846  1.00  0.00           H  
HETATM   73  H   UNL     1     -26.738 -31.538 -14.353  1.00  0.00           H  
HETATM   74  H   UNL     1     -26.402 -29.308 -13.645  1.00  0.00           H  
HETATM   75  H   UNL     1     -28.495 -28.635 -12.887  1.00  0.00           H  
HETATM   76  H   UNL     1     -28.553 -27.707 -14.424  1.00  0.00           H  
HETATM   77  H   UNL     1     -28.862 -31.372 -13.316  1.00  0.00           H  
HETATM   78  H   UNL     1     -28.909 -33.340 -14.636  1.00  0.00           H  
HETATM   79  H   UNL     1     -29.406 -32.429 -16.102  1.00  0.00           H  
HETATM   80  H   UNL     1     -31.833 -33.981 -16.138  1.00  0.00           H  
HETATM   81  H   UNL     1     -30.848 -34.831 -14.900  1.00  0.00           H  
HETATM   82  H   UNL     1     -33.509 -34.995 -14.882  1.00  0.00           H  
HETATM   83  H   UNL     1     -33.380 -33.417 -14.034  1.00  0.00           H  
HETATM   84  H   UNL     1     -34.167 -34.347 -11.989  1.00  0.00           H  
HETATM   85  H   UNL     1     -33.029 -34.723  -9.801  1.00  0.00           H  
HETATM   86  H   UNL     1     -32.056 -35.995 -10.615  1.00  0.00           H  
HETATM   87  H   UNL     1     -32.825 -37.647  -8.816  1.00  0.00           H  
HETATM   88  H   UNL     1     -32.703 -43.083  -8.200  1.00  0.00           H  
HETATM   89  H   UNL     1     -31.565 -42.765  -9.552  1.00  0.00           H  
HETATM   90  H   UNL     1     -37.217 -41.375  -7.582  1.00  0.00           H  
HETATM   91  H   UNL     1     -35.995 -40.312  -6.805  1.00  0.00           H  
HETATM   92  H   UNL     1     -34.977 -42.874  -9.572  1.00  0.00           H  
HETATM   93  H   UNL     1     -36.093 -38.847  -9.121  1.00  0.00           H  
HETATM   94  H   UNL     1     -28.323 -41.704  -0.558  1.00  0.00           H  
HETATM   95  H   UNL     1     -29.198 -40.434  -1.480  1.00  0.00           H  
HETATM   96  H   UNL     1     -31.879 -40.577   0.593  1.00  0.00           H  
HETATM   97  H   UNL     1     -30.625 -37.136   2.229  1.00  0.00           H  
HETATM   98  H   UNL     1     -28.638 -37.659   3.638  1.00  0.00           H  
HETATM   99  H   UNL     1     -25.690 -35.763   2.257  1.00  0.00           H  
HETATM  100  H   UNL     1     -27.324 -35.458   2.939  1.00  0.00           H  
HETATM  101  H   UNL     1     -24.816 -35.271   4.392  1.00  0.00           H  
HETATM  102  H   UNL     1     -25.697 -35.903   7.398  1.00  0.00           H  
HETATM  103  H   UNL     1     -25.493 -34.245   6.740  1.00  0.00           H  
HETATM  104  H   UNL     1     -28.158 -35.373   7.769  1.00  0.00           H  
HETATM  105  H   UNL     1     -27.049 -34.331   8.725  1.00  0.00           H  
HETATM  106  H   UNL     1     -27.053 -32.662   6.862  1.00  0.00           H  
HETATM  107  H   UNL     1     -28.221 -33.692   5.966  1.00  0.00           H  
HETATM  108  H   UNL     1     -29.900 -33.393   7.685  1.00  0.00           H  
HETATM  109  H   UNL     1     -28.730 -32.535   8.743  1.00  0.00           H  
HETATM  110  H   UNL     1     -29.514 -31.544   6.009  1.00  0.00           H  
HETATM  111  H   UNL     1     -29.337 -27.876   6.525  1.00  0.00           H  
HETATM  112  H   UNL     1     -29.570 -29.173   5.304  1.00  0.00           H  
HETATM  113  H   UNL     1     -31.718 -29.163   6.297  1.00  0.00           H  
HETATM  114  H   UNL     1     -31.297 -27.605   8.411  1.00  0.00           H  
HETATM  115  H   UNL     1     -30.726 -31.488   9.531  1.00  0.00           H  
HETATM  116  H   UNL     1     -31.675 -31.392   6.996  1.00  0.00           H  
HETATM  117  H   UNL     1     -27.976 -40.522   1.909  1.00  0.00           H  
HETATM  118  H   UNL     1     -31.354 -36.789  -0.553  1.00  0.00           H  
HETATM  119  H   UNL     1     -30.658 -38.194  -1.429  1.00  0.00           H  
HETATM  120  H   UNL     1     -26.391 -27.842 -15.818  1.00  0.00           H  
CONECT    1   15   16   69   70                                       
CONECT    2   17   18   18   19                                       
CONECT    3   20   21   21   22                                       
CONECT    4    5    5   22   32                                       
CONECT    5    4    4    6   71                                       
CONECT    6    5   23   31   31                                       
CONECT    7    8    8                                                 
CONECT    8    7    7    9   68                                       
CONECT    9    8   10   72                                            
CONECT   10    9   11   14   73                                       
CONECT   11   10   12   68   74                                       
CONECT   12   11   13   75   76                                       
CONECT   13   12   14                                                 
CONECT   14   10   13   15   77                                       
CONECT   15    1   14   78   79                                       
CONECT   16    1   17   80   81                                       
CONECT   17    2   16   82   83                                       
CONECT   18    2    2                                                 
CONECT   19    2   20   84                                            
CONECT   20    3   19   85   86                                       
CONECT   21    3    3                                                 
CONECT   22    3    4   87                                            
CONECT   23    6   24   88   89                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   33   66                                       
CONECT   26   25   27   65                                            
CONECT   27   26   28   33   67                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   90   91                                       
CONECT   30   29   31   32   32                                       
CONECT   31    6    6   30   92                                       
CONECT   32    4   30   30   93                                       
CONECT   33   25   27   34                                            
CONECT   34   33   35   66   67                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   94   95                                       
CONECT   37   36   38   38   62                                       
CONECT   38   37   37   39   96                                       
CONECT   39   38   40   40   63                                       
CONECT   40   39   39   41   97                                       
CONECT   41   40   42   62   62                                       
CONECT   42   41   43   98                                            
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   99  100                                       
CONECT   46   45   47  101                                            
CONECT   47   46   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   50  102  103                                       
CONECT   50   49   51  104  105                                       
CONECT   51   50   52  106  107                                       
CONECT   52   51   53  108  109                                       
CONECT   53   52   54   61  110                                       
CONECT   54   53   55                                                 
CONECT   55   54   56  111  112                                       
CONECT   56   55   57   61  113                                       
CONECT   57   56   58  114                                            
CONECT   58   57   59   59   60                                       
CONECT   59   58   58                                                 
CONECT   60   58   61  115                                            
CONECT   61   53   56   60  116                                       
CONECT   62   37   41   41  117                                       
CONECT   63   39   64  118  119                                       
CONECT   64   63   65                                                 
CONECT   65   26   64   66   67                                       
CONECT   66   25   34   65                                            
CONECT   67   27   34   65                                            
CONECT   68    8   11  120                                            
CONECT   69    1                                                      
CONECT   70    1                                                      
CONECT   71    5                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   12                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   17                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   20                                                      
CONECT   87   22                                                      
CONECT   88   23                                                      
CONECT   89   23                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   38                                                      
CONECT   97   40                                                      
CONECT   98   42                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   49                                                      
CONECT  103   49                                                      
CONECT  104   50                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
CONECT  107   51                                                      
CONECT  108   52                                                      
CONECT  109   52                                                      
CONECT  110   53                                                      
CONECT  111   55                                                      
CONECT  112   55                                                      
CONECT  113   56                                                      
CONECT  114   57                                                      
CONECT  115   60                                                      
CONECT  116   61                                                      
CONECT  117   62                                                      
CONECT  118   63                                                      
CONECT  119   63                                                      
CONECT  120   68                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
