COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.740  -0.575  -1.567  1.00  0.00           O  
HETATM    2  C   UNL     1       6.952  -0.635  -0.482  1.00  0.00           C  
HETATM    3  O   UNL     1       7.435  -0.536   0.621  1.00  0.00           O  
HETATM    4  C   UNL     1       5.465  -0.825  -0.640  1.00  0.00           C  
HETATM    5  C   UNL     1       4.806  -0.858   0.740  1.00  0.00           C  
HETATM    6  C   UNL     1       3.319  -1.049   0.582  1.00  0.00           C  
HETATM    7  C   UNL     1       2.786  -2.327   0.552  1.00  0.00           C  
HETATM    8  C   UNL     1       1.431  -2.507   0.408  1.00  0.00           C  
HETATM    9  C   UNL     1       0.570  -1.393   0.290  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.792  -1.473   0.144  1.00  0.00           N1+
HETATM   11 FE   UNL     1      -1.532   0.237   0.026  1.00  0.00          Fe  
HETATM   12  O   UNL     1      -3.221  -0.288  -0.157  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.716  -1.523  -0.176  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.924  -2.668  -0.062  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.520  -3.938  -0.092  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.883  -4.060  -0.232  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.671  -2.926  -0.343  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.098  -1.673  -0.316  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.477  -2.574   0.091  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.350   1.811  -0.104  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.824   3.032  -0.064  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.689   4.123  -0.179  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.204   5.413  -0.145  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.847   5.648   0.004  1.00  0.00           C  
HETATM   25  C   UNL     1       0.025   4.590   0.119  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.456   3.272   0.085  1.00  0.00           C  
HETATM   27  C   UNL     1       0.496   2.174   0.209  1.00  0.00           C  
HETATM   28  N   UNL     1       0.200   0.910   0.202  1.00  0.00           N1+
HETATM   29  C   UNL     1       1.101  -0.118   0.321  1.00  0.00           C  
HETATM   30  C   UNL     1       2.497   0.047   0.470  1.00  0.00           C  
HETATM   31  H   UNL     1       8.694  -0.453  -1.466  1.00  0.00           H  
HETATM   32  H   UNL     1       5.053   0.001  -1.220  1.00  0.00           H  
HETATM   33  H   UNL     1       5.272  -1.765  -1.157  1.00  0.00           H  
HETATM   34  H   UNL     1       5.219  -1.684   1.320  1.00  0.00           H  
HETATM   35  H   UNL     1       4.999   0.081   1.258  1.00  0.00           H  
HETATM   36  H   UNL     1       3.436  -3.185   0.642  1.00  0.00           H  
HETATM   37  H   UNL     1       1.021  -3.508   0.385  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.905  -4.823  -0.006  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.338  -5.039  -0.254  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.742  -3.024  -0.451  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.725  -0.796  -0.404  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.919  -3.509   0.170  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.750   3.954  -0.296  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.887   6.245  -0.235  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.473   6.661   0.030  1.00  0.00           H  
HETATM   46  H   UNL     1       1.083   4.774   0.235  1.00  0.00           H  
HETATM   47  H   UNL     1       1.551   2.434   0.318  1.00  0.00           H  
HETATM   48  H   UNL     1       2.921   1.041   0.494  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   32   33                                       
CONECT    5    4    6   34   35                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6    8   36                                       
CONECT    8    7    9    9   37                                       
CONECT    9    8    8   10   29                                       
CONECT   10    9   11   19   19                                       
CONECT   11   10   12   20   28                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   38                                       
CONECT   16   15   17   17   39                                       
CONECT   17   16   16   18   40                                       
CONECT   18   13   13   17   41                                       
CONECT   19   10   10   14   42                                       
CONECT   20   11   21                                                 
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   43                                       
CONECT   23   22   24   24   44                                       
CONECT   24   23   23   25   45                                       
CONECT   25   24   26   26   46                                       
CONECT   26   21   25   25   27                                       
CONECT   27   26   28   28   47                                       
CONECT   28   11   27   27   29                                       
CONECT   29    9   28   30   30                                       
CONECT   30    6   29   29   48                                       
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
