COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.161  -0.125   0.490  1.00  0.00           C  
HETATM    2  C   UNL     1       1.458  -3.419   0.306  1.00  0.00           C  
HETATM    3  C   UNL     1       4.701   0.169  -0.069  1.00  0.00           C  
HETATM    4  C   UNL     1       1.075   3.460   0.018  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.436  -1.305   0.380  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.015  -2.587   0.320  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.009  -3.500   0.270  1.00  0.00           C  
HETATM    8  C   UNL     1       0.216  -2.803   0.298  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.175  -4.996   0.197  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.490  -2.893   0.314  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.998  -2.926  -1.129  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.473  -3.232  -1.136  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.059  -3.405  -0.094  1.00  0.00           O  
HETATM   14  O   UNL     1      -6.137  -3.311  -2.300  1.00  0.00           O  
HETATM   15  C   UNL     1       2.664  -2.707   0.308  1.00  0.00           C  
HETATM   16  C   UNL     1       3.937  -3.328   0.418  1.00  0.00           C  
HETATM   17  C   UNL     1       4.874  -2.341   0.314  1.00  0.00           C  
HETATM   18  C   UNL     1       4.117  -1.079   0.139  1.00  0.00           C  
HETATM   19  C   UNL     1       4.203  -4.798   0.613  1.00  0.00           C  
HETATM   20  C   UNL     1       6.339  -2.497   0.365  1.00  0.00           C  
HETATM   21  C   UNL     1       6.935  -3.419  -0.385  1.00  0.00           C  
HETATM   22  C   UNL     1       3.964   1.345  -0.174  1.00  0.00           C  
HETATM   23  C   UNL     1       4.531   2.601  -0.445  1.00  0.00           C  
HETATM   24  C   UNL     1       3.510   3.536  -0.437  1.00  0.00           C  
HETATM   25  C   UNL     1       2.304   2.846  -0.139  1.00  0.00           C  
HETATM   26  C   UNL     1       5.991   2.880  -0.697  1.00  0.00           C  
HETATM   27  C   UNL     1       3.649   4.981  -0.692  1.00  0.00           C  
HETATM   28  C   UNL     1       4.201   5.407  -1.823  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.102   2.753   0.298  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.382   3.388   0.641  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.283   2.389   0.774  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.561   1.137   0.511  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.639   4.863   0.811  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.741   2.532   1.123  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.573   2.563  -0.160  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.032   2.706   0.189  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.372   2.776   1.347  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.954   2.755  -0.785  1.00  0.00           O  
HETATM   39  N   UNL     1      -0.068  -1.456   0.321  1.00  0.00           N  
HETATM   40  N   UNL     1       2.820  -1.386   0.207  1.00  0.00           N  
HETATM   41  N   UNL     1       2.604   1.506  -0.033  1.00  0.00           N  
HETATM   42  N   UNL     1      -0.276   1.431   0.298  1.00  0.00           N  
HETATM   43 FE   UNL     1       1.010   0.157  -0.060  1.00  0.00          Fe  
HETATM   44  H   UNL     1       1.498  -4.508   0.309  1.00  0.00           H  
HETATM   45  H   UNL     1       5.786   0.229  -0.153  1.00  0.00           H  
HETATM   46  H   UNL     1       1.018   4.543  -0.083  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.220  -5.306  -0.847  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.328  -5.480   0.683  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.097  -5.285   0.702  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.662  -3.862   0.782  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.024  -2.121   0.869  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.825  -1.956  -1.597  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.464  -3.697  -1.684  1.00  0.00           H  
HETATM   54  H   UNL     1       3.256  -5.336   0.660  1.00  0.00           H  
HETATM   55  H   UNL     1       4.794  -5.175  -0.222  1.00  0.00           H  
HETATM   56  H   UNL     1       4.752  -4.948   1.543  1.00  0.00           H  
HETATM   57  H   UNL     1       6.927  -1.863   1.011  1.00  0.00           H  
HETATM   58  H   UNL     1       7.994  -3.600  -0.277  1.00  0.00           H  
HETATM   59  H   UNL     1       6.360  -3.987  -1.102  1.00  0.00           H  
HETATM   60  H   UNL     1       6.554   1.949  -0.639  1.00  0.00           H  
HETATM   61  H   UNL     1       6.110   3.316  -1.689  1.00  0.00           H  
HETATM   62  H   UNL     1       6.362   3.578   0.053  1.00  0.00           H  
HETATM   63  H   UNL     1       3.303   5.694   0.042  1.00  0.00           H  
HETATM   64  H   UNL     1       4.614   4.696  -2.523  1.00  0.00           H  
HETATM   65  H   UNL     1       4.235   6.464  -2.043  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.715   5.415   0.639  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.394   5.185   0.094  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.994   5.055   1.824  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.052   1.687   1.738  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.893   3.459   1.677  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.262   3.408  -0.775  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.421   1.636  -0.714  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.082  -3.510  -2.254  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.877   2.847  -0.512  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.246  -0.188   0.567  1.00  0.00           H  
CONECT    1    5   32   32   75                                       
CONECT    2    8   15   15   44                                       
CONECT    3   18   22   22   45                                       
CONECT    4   25   25   29   46                                       
CONECT    5    1    6    6   39                                       
CONECT    6    5    5    7   10                                       
CONECT    7    6    8    8    9                                       
CONECT    8    2    7    7   39                                       
CONECT    9    7   47   48   49                                       
CONECT   10    6   11   50   51                                       
CONECT   11   10   12   52   53                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   73                                                 
CONECT   15    2    2   16   40                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   20                                       
CONECT   18    3   17   40   40                                       
CONECT   19   16   54   55   56                                       
CONECT   20   17   21   21   57                                       
CONECT   21   20   20   58   59                                       
CONECT   22    3    3   23   41                                       
CONECT   23   22   24   24   26                                       
CONECT   24   23   23   25   27                                       
CONECT   25    4    4   24   41                                       
CONECT   26   23   60   61   62                                       
CONECT   27   24   28   28   63                                       
CONECT   28   27   27   64   65                                       
CONECT   29    4   30   42   42                                       
CONECT   30   29   31   31   33                                       
CONECT   31   30   30   32   34                                       
CONECT   32    1    1   31   42                                       
CONECT   33   30   66   67   68                                       
CONECT   34   31   35   69   70                                       
CONECT   35   34   36   71   72                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   74                                                 
CONECT   39    5    8   43                                            
CONECT   40   15   18   18   43                                       
CONECT   41   22   25   43                                            
CONECT   42   29   29   32   43                                       
CONECT   43   39   40   41   42                                       
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   14                                                      
CONECT   74   38                                                      
CONECT   75    1                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
