COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -72.012  24.473  -7.828  1.00  0.00           C  
HETATM    2  C   UNL     1     -69.487  21.564 -10.698  1.00  0.00           C  
HETATM    3  C   UNL     1     -73.437  18.899 -11.397  1.00  0.00           C  
HETATM    4  C   UNL     1     -76.100  22.414  -9.490  1.00  0.00           C  
HETATM    5  C   UNL     1     -70.954  23.844  -8.426  1.00  0.00           C  
HETATM    6  C   UNL     1     -69.550  24.050  -8.166  1.00  0.00           C  
HETATM    7  C   UNL     1     -68.873  23.255  -8.962  1.00  0.00           C  
HETATM    8  C   UNL     1     -69.793  22.502  -9.754  1.00  0.00           C  
HETATM    9  C   UNL     1     -67.351  23.160  -9.027  1.00  0.00           C  
HETATM   10  C   UNL     1     -68.900  25.004  -7.166  1.00  0.00           C  
HETATM   11  C   UNL     1     -69.324  24.658  -5.756  1.00  0.00           C  
HETATM   12  C   UNL     1     -68.633  25.502  -4.747  1.00  0.00           C  
HETATM   13  O   UNL     1     -67.592  26.080  -5.061  1.00  0.00           O  
HETATM   14  O   UNL     1     -69.121  25.592  -3.616  1.00  0.00           O  
HETATM   15  C   UNL     1     -70.319  20.556 -11.103  1.00  0.00           C  
HETATM   16  C   UNL     1     -69.961  19.395 -11.861  1.00  0.00           C  
HETATM   17  C   UNL     1     -71.044  18.669 -12.050  1.00  0.00           C  
HETATM   18  C   UNL     1     -72.140  19.335 -11.415  1.00  0.00           C  
HETATM   19  C   UNL     1     -68.554  19.052 -12.362  1.00  0.00           C  
HETATM   20  C   UNL     1     -71.126  17.337 -12.798  1.00  0.00           C  
HETATM   21  C   UNL     1     -71.074  17.565 -14.142  1.00  0.00           C  
HETATM   22  C   UNL     1     -74.493  19.594 -10.877  1.00  0.00           C  
HETATM   23  C   UNL     1     -75.809  19.081 -10.692  1.00  0.00           C  
HETATM   24  C   UNL     1     -76.558  20.037 -10.165  1.00  0.00           C  
HETATM   25  C   UNL     1     -75.726  21.196  -9.995  1.00  0.00           C  
HETATM   26  C   UNL     1     -76.242  17.658 -11.063  1.00  0.00           C  
HETATM   27  C   UNL     1     -78.053  19.945  -9.785  1.00  0.00           C  
HETATM   28  C   UNL     1     -78.802  19.390 -10.798  1.00  0.00           C  
HETATM   29  C   UNL     1     -75.270  23.272  -8.811  1.00  0.00           C  
HETATM   30  C   UNL     1     -75.700  24.328  -7.948  1.00  0.00           C  
HETATM   31  C   UNL     1     -74.417  24.950  -7.443  1.00  0.00           C  
HETATM   32  C   UNL     1     -73.342  24.227  -8.042  1.00  0.00           C  
HETATM   33  C   UNL     1     -77.138  24.726  -7.617  1.00  0.00           C  
HETATM   34  C   UNL     1     -74.300  26.115  -6.475  1.00  0.00           C  
HETATM   35  C   UNL     1     -74.870  25.638  -5.175  1.00  0.00           C  
HETATM   36  C   UNL     1     -74.306  26.512  -4.127  1.00  0.00           C  
HETATM   37  O   UNL     1     -73.423  26.038  -3.411  1.00  0.00           O  
HETATM   38  O   UNL     1     -74.727  27.673  -4.002  1.00  0.00           O  
HETATM   39  N   UNL     1     -71.063  22.892  -9.409  1.00  0.00           N  
HETATM   40  N   UNL     1     -71.662  20.490 -10.862  1.00  0.00           N  
HETATM   41  N   UNL     1     -74.472  20.894 -10.448  1.00  0.00           N  
HETATM   42  N   UNL     1     -73.884  23.254  -8.855  1.00  0.00           N  
HETATM   43 FE   UNL     1     -72.794  21.966 -10.010  1.00  0.00          Fe  
HETATM   44  H   UNL     1     -71.773  25.245  -7.112  1.00  0.00           H  
HETATM   45  H   UNL     1     -68.513  21.622 -11.161  1.00  0.00           H  
HETATM   46  H   UNL     1     -73.642  17.930 -11.827  1.00  0.00           H  
HETATM   47  H   UNL     1     -77.125  22.722  -9.637  1.00  0.00           H  
HETATM   48  H   UNL     1     -66.908  23.858  -8.301  1.00  0.00           H  
HETATM   49  H   UNL     1     -67.037  22.134  -8.786  1.00  0.00           H  
HETATM   50  H   UNL     1     -67.010  23.420 -10.040  1.00  0.00           H  
HETATM   51  H   UNL     1     -67.806  24.923  -7.246  1.00  0.00           H  
HETATM   52  H   UNL     1     -69.209  26.035  -7.395  1.00  0.00           H  
HETATM   53  H   UNL     1     -70.410  24.810  -5.664  1.00  0.00           H  
HETATM   54  H   UNL     1     -69.084  23.602  -5.561  1.00  0.00           H  
HETATM   55  H   UNL     1     -68.574  26.153  -3.079  1.00  0.00           H  
HETATM   56  H   UNL     1     -67.852  19.841 -12.054  1.00  0.00           H  
HETATM   57  H   UNL     1     -68.236  18.091 -11.932  1.00  0.00           H  
HETATM   58  H   UNL     1     -68.564  18.977 -13.459  1.00  0.00           H  
HETATM   59  H   UNL     1     -72.072  16.834 -12.548  1.00  0.00           H  
HETATM   60  H   UNL     1     -70.281  16.698 -12.502  1.00  0.00           H  
HETATM   61  H   UNL     1     -71.133  16.607 -14.679  1.00  0.00           H  
HETATM   62  H   UNL     1     -71.919  18.204 -14.438  1.00  0.00           H  
HETATM   63  H   UNL     1     -70.128  18.068 -14.392  1.00  0.00           H  
HETATM   64  H   UNL     1     -77.306  17.522 -10.818  1.00  0.00           H  
HETATM   65  H   UNL     1     -76.091  17.498 -12.141  1.00  0.00           H  
HETATM   66  H   UNL     1     -75.640  16.932 -10.497  1.00  0.00           H  
HETATM   67  H   UNL     1     -78.431  20.957  -9.575  1.00  0.00           H  
HETATM   68  H   UNL     1     -78.154  19.322  -8.884  1.00  0.00           H  
HETATM   69  H   UNL     1     -79.857  19.342 -10.490  1.00  0.00           H  
HETATM   70  H   UNL     1     -78.712  20.010 -11.702  1.00  0.00           H  
HETATM   71  H   UNL     1     -78.435  18.375 -11.011  1.00  0.00           H  
HETATM   72  H   UNL     1     -77.132  25.579  -6.922  1.00  0.00           H  
HETATM   73  H   UNL     1     -77.662  25.010  -8.542  1.00  0.00           H  
HETATM   74  H   UNL     1     -77.655  23.875  -7.149  1.00  0.00           H  
HETATM   75  H   UNL     1     -73.245  26.400  -6.347  1.00  0.00           H  
HETATM   76  H   UNL     1     -74.870  26.979  -6.847  1.00  0.00           H  
HETATM   77  H   UNL     1     -75.967  25.719  -5.188  1.00  0.00           H  
HETATM   78  H   UNL     1     -74.581  24.592  -4.994  1.00  0.00           H  
HETATM   79  H   UNL     1     -73.141  26.691  -2.781  1.00  0.00           H  
CONECT    1    5    5   32   44                                       
CONECT    2   15   15    8   45                                       
CONECT    3   18   22   22   46                                       
CONECT    4   25   29   29   47                                       
CONECT    5   39    6    1    1                                       
CONECT    6    7    7    5   10                                       
CONECT    7    8    9    6    6                                       
CONECT    8    2   39   39    7                                       
CONECT    9    7   48   49   50                                       
CONECT   10    6   11   51   52                                       
CONECT   11   10   12   53   54                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   55                                                 
CONECT   15   16   40    2    2                                       
CONECT   16   19   17   17   15                                       
CONECT   17   20   16   16   18                                       
CONECT   18   17    3   40   40                                       
CONECT   19   16   56   57   58                                       
CONECT   20   21   17   59   60                                       
CONECT   21   20   61   62   63                                       
CONECT   22    3    3   23   41                                       
CONECT   23   26   22   24   24                                       
CONECT   24   23   23   25   27                                       
CONECT   25   41   41   24    4                                       
CONECT   26   23   64   65   66                                       
CONECT   27   28   24   67   68                                       
CONECT   28   27   69   70   71                                       
CONECT   29    4    4   42   30                                       
CONECT   30   29   33   31   31                                       
CONECT   31   32   30   30   34                                       
CONECT   32   42   42    1   31                                       
CONECT   33   30   72   73   74                                       
CONECT   34   31   35   75   76                                       
CONECT   35   34   36   77   78                                       
CONECT   36   35   38   38   37                                       
CONECT   37   36   79                                                 
CONECT   38   36   36                                                 
CONECT   39   43    8    8    5                                       
CONECT   40   18   18   15   43                                       
CONECT   41   22   43   25   25                                       
CONECT   42   43   29   32   32                                       
CONECT   43   40   41   39   42                                       
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   14                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
