COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      49.846  22.162 -15.289  1.00  0.00           O  
HETATM    2  C   UNL     1      48.814  22.322 -14.597  1.00  0.00           C  
HETATM    3  O   UNL     1      48.820  22.409 -13.352  1.00  0.00           O  
HETATM    4  C   UNL     1      47.495  22.448 -15.319  1.00  0.00           C  
HETATM    5  C   UNL     1      47.495  23.746 -16.134  1.00  0.00           C  
HETATM    6  C   UNL     1      46.183  23.911 -16.835  1.00  0.00           C  
HETATM    7  C   UNL     1      45.039  24.475 -16.319  1.00  0.00           C  
HETATM    8  C   UNL     1      44.961  25.083 -14.976  1.00  0.00           C  
HETATM    9  C   UNL     1      45.883  23.516 -18.126  1.00  0.00           C  
HETATM   10  C   UNL     1      46.792  22.844 -19.115  1.00  0.00           C  
HETATM   11  C   UNL     1      44.558  23.893 -18.285  1.00  0.00           C  
HETATM   12  C   UNL     1      43.819  23.667 -19.529  1.00  0.00           C  
HETATM   13  C   UNL     1      42.413  24.018 -19.745  1.00  0.00           C  
HETATM   14  C   UNL     1      41.768  23.801 -20.955  1.00  0.00           C  
HETATM   15  C   UNL     1      42.391  23.203 -22.179  1.00  0.00           C  
HETATM   16  C   UNL     1      40.459  24.229 -20.763  1.00  0.00           C  
HETATM   17  C   UNL     1      39.313  24.254 -21.732  1.00  0.00           C  
HETATM   18  O   UNL     1      39.614  25.070 -22.864  1.00  0.00           O  
HETATM   19  O   UNL     1      40.116  26.305 -22.563  1.00  0.00           O  
HETATM   20  C   UNL     1      38.965  22.922 -22.323  1.00  0.00           C  
HETATM   21  N   UNL     1      44.042  24.515 -17.207  1.00  0.00           N  
HETATM   22 FE   UNL     1      42.114  25.122 -16.877  1.00  0.00          Fe  
HETATM   23  N   UNL     1      42.577  25.631 -14.927  1.00  0.00           N  
HETATM   24  C   UNL     1      43.765  25.605 -14.313  1.00  0.00           C  
HETATM   25  N   UNL     1      41.643  24.572 -18.819  1.00  0.00           N  
HETATM   26  C   UNL     1      40.462  24.688 -19.449  1.00  0.00           C  
HETATM   27  C   UNL     1      39.262  25.178 -18.782  1.00  0.00           C  
HETATM   28  N   UNL     1      40.156  25.676 -16.531  1.00  0.00           N  
HETATM   29  C   UNL     1      39.122  25.552 -17.364  1.00  0.00           C  
HETATM   30  C   UNL     1      37.904  25.893 -16.799  1.00  0.00           C  
HETATM   31  C   UNL     1      36.583  25.891 -17.520  1.00  0.00           C  
HETATM   32  C   UNL     1      38.213  26.197 -15.493  1.00  0.00           C  
HETATM   33  C   UNL     1      37.338  26.686 -14.392  1.00  0.00           C  
HETATM   34  C   UNL     1      36.091  27.060 -14.517  1.00  0.00           C  
HETATM   35  C   UNL     1      39.588  26.036 -15.382  1.00  0.00           C  
HETATM   36  C   UNL     1      40.337  26.297 -14.153  1.00  0.00           C  
HETATM   37  C   UNL     1      41.777  26.103 -13.970  1.00  0.00           C  
HETATM   38  C   UNL     1      42.438  26.430 -12.791  1.00  0.00           C  
HETATM   39  C   UNL     1      41.834  26.988 -11.530  1.00  0.00           C  
HETATM   40  C   UNL     1      43.738  26.067 -13.001  1.00  0.00           C  
HETATM   41  C   UNL     1      44.884  26.266 -12.030  1.00  0.00           C  
HETATM   42  C   UNL     1      45.425  25.061 -11.317  1.00  0.00           C  
HETATM   43  C   UNL     1      46.450  25.498 -10.288  1.00  0.00           C  
HETATM   44  O   UNL     1      46.593  26.716  -9.979  1.00  0.00           O  
HETATM   45  O   UNL     1      47.101  24.580  -9.775  1.00  0.00           O  
HETATM   46  H   UNL     1      49.712  22.335 -13.033  1.00  0.00           H  
HETATM   47  H   UNL     1      46.674  22.472 -14.587  1.00  0.00           H  
HETATM   48  H   UNL     1      47.360  21.589 -15.993  1.00  0.00           H  
HETATM   49  H   UNL     1      48.304  23.708 -16.879  1.00  0.00           H  
HETATM   50  H   UNL     1      47.657  24.600 -15.459  1.00  0.00           H  
HETATM   51  H   UNL     1      45.886  25.150 -14.423  1.00  0.00           H  
HETATM   52  H   UNL     1      47.781  22.690 -18.659  1.00  0.00           H  
HETATM   53  H   UNL     1      46.366  21.872 -19.403  1.00  0.00           H  
HETATM   54  H   UNL     1      46.895  23.478 -20.008  1.00  0.00           H  
HETATM   55  H   UNL     1      44.350  23.207 -20.349  1.00  0.00           H  
HETATM   56  H   UNL     1      43.450  22.980 -21.981  1.00  0.00           H  
HETATM   57  H   UNL     1      41.864  22.274 -22.442  1.00  0.00           H  
HETATM   58  H   UNL     1      42.317  23.916 -23.014  1.00  0.00           H  
HETATM   59  H   UNL     1      38.427  24.652 -21.216  1.00  0.00           H  
HETATM   60  H   UNL     1      40.289  26.782 -23.366  1.00  0.00           H  
HETATM   61  H   UNL     1      38.715  22.217 -21.517  1.00  0.00           H  
HETATM   62  H   UNL     1      38.100  23.033 -22.994  1.00  0.00           H  
HETATM   63  H   UNL     1      39.824  22.538 -22.893  1.00  0.00           H  
HETATM   64  H   UNL     1      38.378  25.278 -19.395  1.00  0.00           H  
HETATM   65  H   UNL     1      36.114  24.900 -17.425  1.00  0.00           H  
HETATM   66  H   UNL     1      35.923  26.652 -17.078  1.00  0.00           H  
HETATM   67  H   UNL     1      36.746  26.119 -18.584  1.00  0.00           H  
HETATM   68  H   UNL     1      37.771  26.736 -13.404  1.00  0.00           H  
HETATM   69  H   UNL     1      35.540  27.400 -13.653  1.00  0.00           H  
HETATM   70  H   UNL     1      35.612  27.028 -15.485  1.00  0.00           H  
HETATM   71  H   UNL     1      39.778  26.665 -13.305  1.00  0.00           H  
HETATM   72  H   UNL     1      42.624  27.138 -10.779  1.00  0.00           H  
HETATM   73  H   UNL     1      41.351  27.951 -11.750  1.00  0.00           H  
HETATM   74  H   UNL     1      41.086  26.283 -11.139  1.00  0.00           H  
HETATM   75  H   UNL     1      45.716  26.712 -12.594  1.00  0.00           H  
HETATM   76  H   UNL     1      44.541  26.974 -11.261  1.00  0.00           H  
HETATM   77  H   UNL     1      44.602  24.533 -10.813  1.00  0.00           H  
HETATM   78  H   UNL     1      45.901  24.388 -12.045  1.00  0.00           H  
HETATM   79  H   UNL     1      47.703  24.938  -9.134  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   46                                                 
CONECT    4    5    2   47   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6    9    9    7    5                                       
CONECT    7   21    6    8    8                                       
CONECT    8    7    7   24   51                                       
CONECT    9   10   11    6    6                                       
CONECT   10    9   52   53   54                                       
CONECT   11   12   12    9   21                                       
CONECT   12   13   11   11   55                                       
CONECT   13   14   12   25   25                                       
CONECT   14   15   16   16   13                                       
CONECT   15   14   56   57   58                                       
CONECT   16   17   14   14   26                                       
CONECT   17   18   20   16   59                                       
CONECT   18   19   17                                                 
CONECT   19   18   60                                                 
CONECT   20   17   61   62   63                                       
CONECT   21   11   22    7                                            
CONECT   22   25   21   28   23                                       
CONECT   23   22   24   24   37                                       
CONECT   24    8   23   23   40                                       
CONECT   25   13   13   26   22                                       
CONECT   26   16   25   27   27                                       
CONECT   27   26   26   29   64                                       
CONECT   28   29   22   35                                            
CONECT   29   27   30   30   28                                       
CONECT   30   31   29   29   32                                       
CONECT   31   30   65   66   67                                       
CONECT   32   30   35   35   33                                       
CONECT   33   32   34   34   68                                       
CONECT   34   33   33   69   70                                       
CONECT   35   28   32   32   36                                       
CONECT   36   35   37   37   71                                       
CONECT   37   23   36   36   38                                       
CONECT   38   37   40   40   39                                       
CONECT   39   38   72   73   74                                       
CONECT   40   24   38   38   41                                       
CONECT   41   40   42   75   76                                       
CONECT   42   41   43   77   78                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   79                                                 
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   27                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   36                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   45                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
