COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -20.033   5.515  14.432  1.00  0.00           N  
HETATM    2  C   UNL     1     -21.369   5.718  14.486  1.00  0.00           C  
HETATM    3  C   UNL     1     -22.172   4.645  14.134  1.00  0.00           C  
HETATM    4  C   UNL     1     -19.900   4.277  13.935  1.00  0.00           C  
HETATM    5  C   UNL     1     -21.709   1.426  14.228  1.00  0.00           C  
HETATM    6  C   UNL     1     -21.374   2.260  13.237  1.00  0.00           C  
HETATM    7  C   UNL     1     -21.125   3.645  13.732  1.00  0.00           C  
HETATM    8  C   UNL     1     -23.675   4.548  14.103  1.00  0.00           C  
HETATM    9  N   UNL     1     -17.068   5.460  14.479  1.00  0.00           N  
HETATM   10  O   UNL     1     -15.765  12.082  17.276  1.00  0.00           O  
HETATM   11  C   UNL     1     -16.535  11.171  16.823  1.00  0.00           C  
HETATM   12  C   UNL     1     -16.108   9.958  16.340  1.00  0.00           C  
HETATM   13  C   UNL     1     -17.221   9.343  15.979  1.00  0.00           C  
HETATM   14  C   UNL     1     -18.421  10.103  16.212  1.00  0.00           C  
HETATM   15  C   UNL     1     -17.948  11.315  16.759  1.00  0.00           C  
HETATM   16  C   UNL     1     -14.954   9.032  16.079  1.00  0.00           C  
HETATM   17  C   UNL     1     -13.511   9.302  16.302  1.00  0.00           C  
HETATM   18  C   UNL     1     -15.641   7.934  15.550  1.00  0.00           C  
HETATM   19  N   UNL     1     -16.962   8.113  15.502  1.00  0.00           N  
HETATM   20  C   UNL     1     -15.329   6.725  15.119  1.00  0.00           C  
HETATM   21  C   UNL     1     -15.737   5.529  14.666  1.00  0.00           C  
HETATM   22  C   UNL     1     -15.010   4.377  14.340  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.518   4.131  14.417  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.248   3.508  15.761  1.00  0.00           C  
HETATM   25  C   UNL     1     -16.064   3.433  13.883  1.00  0.00           C  
HETATM   26  C   UNL     1     -15.916   2.028  13.377  1.00  0.00           C  
HETATM   27  C   UNL     1     -17.298   4.241  14.005  1.00  0.00           C  
HETATM   28  C   UNL     1     -18.605   3.949  13.814  1.00  0.00           C  
HETATM   29  C   UNL     1     -21.622   6.925  14.992  1.00  0.00           C  
HETATM   30 FE   UNL     1     -18.529   6.929  14.932  1.00  0.00          Fe  
HETATM   31  N   UNL     1     -19.911   8.246  15.447  1.00  0.00           N  
HETATM   32  C   UNL     1     -19.718   9.481  15.842  1.00  0.00           C  
HETATM   33  C   UNL     1     -21.238   8.032  15.449  1.00  0.00           C  
HETATM   34  C   UNL     1     -22.042   9.192  15.988  1.00  0.00           C  
HETATM   35  C   UNL     1     -22.502   8.891  17.419  1.00  0.00           C  
HETATM   36  C   UNL     1     -20.997  10.300  15.945  1.00  0.00           C  
HETATM   37  C   UNL     1     -21.204  11.241  14.741  1.00  0.00           C  
HETATM   38  C   UNL     1     -22.647  11.820  14.631  1.00  0.00           C  
HETATM   39  C   UNL     1     -22.958  12.448  13.279  1.00  0.00           C  
HETATM   40  O   UNL     1     -22.058  12.537  12.315  1.00  0.00           O  
HETATM   41  O   UNL     1     -24.260  13.035  13.011  1.00  0.00           O  
HETATM   42  C   UNL     1     -24.550  13.481  11.690  1.00  0.00           C  
HETATM   43  H   UNL     1     -21.770   1.790  15.243  1.00  0.00           H  
HETATM   44  H   UNL     1     -21.918   0.388  14.013  1.00  0.00           H  
HETATM   45  H   UNL     1     -21.293   1.965  12.201  1.00  0.00           H  
HETATM   46  H   UNL     1     -24.044   4.877  13.120  1.00  0.00           H  
HETATM   47  H   UNL     1     -23.979   3.505  14.278  1.00  0.00           H  
HETATM   48  H   UNL     1     -24.100   5.191  14.888  1.00  0.00           H  
HETATM   49  H   UNL     1     -18.220  12.162  16.112  1.00  0.00           H  
HETATM   50  H   UNL     1     -18.365  11.473  17.764  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.923   8.419  16.011  1.00  0.00           H  
HETATM   52  H   UNL     1     -13.201  10.165  15.694  1.00  0.00           H  
HETATM   53  H   UNL     1     -13.339   9.522  17.366  1.00  0.00           H  
HETATM   54  H   UNL     1     -14.250   6.676  15.141  1.00  0.00           H  
HETATM   55  H   UNL     1     -13.205   3.448  13.613  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.972   5.082  14.324  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.171   3.310  15.864  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.572   4.196  16.556  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.804   2.563  15.845  1.00  0.00           H  
HETATM   60  H   UNL     1     -16.907   1.622  13.126  1.00  0.00           H  
HETATM   61  H   UNL     1     -15.281   2.027  12.479  1.00  0.00           H  
HETATM   62  H   UNL     1     -15.451   1.405  14.155  1.00  0.00           H  
HETATM   63  H   UNL     1     -18.607   2.984  13.329  1.00  0.00           H  
HETATM   64  H   UNL     1     -22.700   6.980  15.027  1.00  0.00           H  
HETATM   65  H   UNL     1     -23.086   9.740  17.803  1.00  0.00           H  
HETATM   66  H   UNL     1     -23.127   7.986  17.420  1.00  0.00           H  
HETATM   67  H   UNL     1     -21.623   8.731  18.061  1.00  0.00           H  
HETATM   68  H   UNL     1     -20.500  12.081  14.833  1.00  0.00           H  
HETATM   69  H   UNL     1     -20.986  10.679  13.821  1.00  0.00           H  
HETATM   70  H   UNL     1     -23.362  11.003  14.806  1.00  0.00           H  
HETATM   71  H   UNL     1     -22.772  12.589  15.407  1.00  0.00           H  
HETATM   72  H   UNL     1     -25.568  13.896  11.658  1.00  0.00           H  
HETATM   73  H   UNL     1     -23.828  14.258  11.399  1.00  0.00           H  
HETATM   74  H   UNL     1     -24.477  12.633  10.993  1.00  0.00           H  
HETATM   75  H   UNL     1     -22.898   9.425  15.337  1.00  0.00           H  
HETATM   76  H   UNL     1     -21.010  10.876  16.882  1.00  0.00           H  
CONECT    1    2   30    4                                            
CONECT    2    1   29    3    3                                       
CONECT    3    2    2    7    8                                       
CONECT    4    1    7    7   28                                       
CONECT    5   43   44    6    6                                       
CONECT    6    5    5    7   45                                       
CONECT    7    6    3    4    4                                       
CONECT    8    3   46   47   48                                       
CONECT    9   21   21   30   27                                       
CONECT   10   11   11                                                 
CONECT   11   10   10   12   15                                       
CONECT   12   11   13   16   16                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13   15   32                                       
CONECT   15   14   11   49   50                                       
CONECT   16   12   12   17   18                                       
CONECT   17   16   51   52   53                                       
CONECT   18   16   19   20   20                                       
CONECT   19   13   18   30                                            
CONECT   20   18   18   54   21                                       
CONECT   21    9    9   20   22                                       
CONECT   22   21   23   25   25                                       
CONECT   23   22   24   55   56                                       
CONECT   24   23   57   58   59                                       
CONECT   25   22   22   27   26                                       
CONECT   26   25   60   61   62                                       
CONECT   27   25    9   28   28                                       
CONECT   28    4   27   27   63                                       
CONECT   29    2   33   33   64                                       
CONECT   30    1    9   19   31                                       
CONECT   31   30   33   32   32                                       
CONECT   32   31   31   14   36                                       
CONECT   33   29   29   31   34                                       
CONECT   34   33   35   36   75                                       
CONECT   35   34   65   66   67                                       
CONECT   36   32   34   37   76                                       
CONECT   37   36   68   69   38                                       
CONECT   38   37   70   71   39                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42                                                 
CONECT   42   41   72   73   74                                       
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   42                                                      
CONECT   73   42                                                      
CONECT   74   42                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
