COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.159   4.511  -2.521  1.00  0.00           C  
HETATM    2  C   UNL     1       1.130   5.115  -3.302  1.00  0.00           C  
HETATM    3  C   UNL     1       2.440   4.666  -3.324  1.00  0.00           C  
HETATM    4  C   UNL     1       2.862   3.591  -2.560  1.00  0.00           C  
HETATM    5  C   UNL     1       0.543   3.422  -1.747  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.179   2.548  -0.826  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.201   2.588   0.025  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.907   1.790   0.817  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.098   1.840   1.665  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.733   2.865   2.355  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.870   2.538   3.076  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.373   1.249   3.114  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.774   0.205   2.427  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.634   0.497   1.688  1.00  0.00           C  
HETATM   15  N   UNL     1       0.666   1.495  -0.760  1.00  0.00           N  
HETATM   16  N   UNL     1      -0.684  -1.522  -0.732  1.00  0.00           N  
HETATM   17  N   UNL     1       1.598  -0.429   0.879  1.00  0.00           N1+
HETATM   18  N   UNL     1      -1.638   0.466   0.827  1.00  0.00           N1+
HETATM   19  C   UNL     1      -2.764  -0.283   0.829  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.903  -1.325  -0.002  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.983  -1.879  -0.817  1.00  0.00           C  
HETATM   22  C   UNL     1       1.914   2.961  -1.759  1.00  0.00           C  
HETATM   23  C   UNL     1       1.967   1.857  -0.827  1.00  0.00           C  
HETATM   24  N   UNL     1       2.856   1.377   0.062  1.00  0.00           N  
HETATM   25  C   UNL     1       2.722   0.331   0.897  1.00  0.00           C  
HETATM   26  C   UNL     1       3.595  -0.431   1.765  1.00  0.00           C  
HETATM   27  C   UNL     1       4.700  -0.118   2.548  1.00  0.00           C  
HETATM   28  C   UNL     1       5.320  -1.162   3.216  1.00  0.00           C  
HETATM   29  C   UNL     1       4.870  -2.469   3.121  1.00  0.00           C  
HETATM   30  C   UNL     1       3.764  -2.814   2.360  1.00  0.00           C  
HETATM   31  C   UNL     1       3.112  -1.789   1.685  1.00  0.00           C  
HETATM   32  C   UNL     1       1.919  -1.748   0.844  1.00  0.00           C  
HETATM   33  N   UNL     1       1.301  -2.530  -0.040  1.00  0.00           N  
HETATM   34  C   UNL     1       0.218  -2.562  -0.803  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.496  -3.474  -1.696  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.076  -4.551  -2.470  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.921  -3.041  -1.675  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.878  -3.741  -2.407  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.439  -4.814  -3.164  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.044  -5.224  -3.199  1.00  0.00           C  
HETATM   41 FE   UNL     1      -0.014  -0.002   0.099  1.00  0.00          Fe  
HETATM   42  H   UNL     1      -0.858   4.875  -2.510  1.00  0.00           H  
HETATM   43  H   UNL     1       0.857   5.962  -3.914  1.00  0.00           H  
HETATM   44  H   UNL     1       3.155   5.171  -3.957  1.00  0.00           H  
HETATM   45  H   UNL     1       3.888   3.254  -2.585  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.354   3.876   2.330  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.381   3.315   3.625  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.259   1.050   3.698  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.178  -0.797   2.464  1.00  0.00           H  
HETATM   50  H   UNL     1       5.061   0.896   2.633  1.00  0.00           H  
HETATM   51  H   UNL     1       6.182  -0.950   3.831  1.00  0.00           H  
HETATM   52  H   UNL     1       5.399  -3.244   3.655  1.00  0.00           H  
HETATM   53  H   UNL     1       3.423  -3.837   2.295  1.00  0.00           H  
HETATM   54  H   UNL     1       0.961  -4.850  -2.502  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.920  -3.458  -2.384  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.160  -5.374  -3.742  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.748  -6.063  -3.810  1.00  0.00           H  
CONECT    1    2    2    5   42                                       
CONECT    2    3    1    1   43                                       
CONECT    3    4    4    2   44                                       
CONECT    4    3    3   22   45                                       
CONECT    5   22   22    1    6                                       
CONECT    6    5   15    7    7                                       
CONECT    7    6    6    8                                            
CONECT    8    7   18   18    9                                       
CONECT    9    8   10   14   14                                       
CONECT   10    9   11   11   46                                       
CONECT   11   10   10   12   47                                       
CONECT   12   11   13   13   48                                       
CONECT   13   14   12   12   49                                       
CONECT   14   19    9    9   13                                       
CONECT   15   23    6   41                                            
CONECT   16   41   34   21                                            
CONECT   17   25   25   32   41                                       
CONECT   18   41    8    8   19                                       
CONECT   19   18   20   20   14                                       
CONECT   20   21   19   19                                            
CONECT   21   16   37   37   20                                       
CONECT   22    4   23    5    5                                       
CONECT   23   24   24   22   15                                       
CONECT   24   25   23   23                                            
CONECT   25   26   24   17   17                                       
CONECT   26   27   31   31   25                                       
CONECT   27   28   28   26   50                                       
CONECT   28   29   27   27   51                                       
CONECT   29   28   30   30   52                                       
CONECT   30   29   29   31   53                                       
CONECT   31   30   26   26   32                                       
CONECT   32   31   17   33   33                                       
CONECT   33   32   32   34                                            
CONECT   34   33   16   35   35                                       
CONECT   35   34   34   36   37                                       
CONECT   36   35   40   40   54                                       
CONECT   37   35   21   21   38                                       
CONECT   38   37   39   39   55                                       
CONECT   39   40   38   38   56                                       
CONECT   40   36   36   39   57                                       
CONECT   41   17   15   16   18                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   36                                                      
CONECT   55   38                                                      
CONECT   56   39                                                      
CONECT   57   40                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
