COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      27.926  16.504  -4.548  1.00  0.00           C  
HETATM    2  N   UNL     1      29.675  15.189  -2.357  1.00  0.00           N  
HETATM    3  C   UNL     1      30.745  15.090  -1.356  1.00  0.00           C  
HETATM    4  C   UNL     1      31.797  13.702  -3.134  1.00  0.00           C  
HETATM    5  C   UNL     1      32.504  12.299  -5.058  1.00  0.00           C  
HETATM    6  C   UNL     1      32.338  11.149  -6.988  1.00  0.00           C  
HETATM    7  C   UNL     1      32.794  12.350  -6.425  1.00  0.00           C  
HETATM    8  C   UNL     1      34.707   9.026  -5.482  1.00  0.00           C  
HETATM    9  C   UNL     1      35.698  11.012  -5.834  1.00  0.00           C  
HETATM   10  C   UNL     1      25.678  14.862  -1.575  1.00  0.00           C  
HETATM   11  C   UNL     1      26.669  15.418  -0.430  1.00  0.00           C  
HETATM   12  C   UNL     1      27.997  15.884  -0.629  1.00  0.00           C  
HETATM   13  C   UNL     1      28.396  15.850  -2.113  1.00  0.00           C  
HETATM   14  C   UNL     1      27.491  16.481  -3.178  1.00  0.00           C  
HETATM   15  C   UNL     1      26.300  17.090  -2.776  1.00  0.00           C  
HETATM   16  C   UNL     1      25.473  17.708  -3.749  1.00  0.00           C  
HETATM   17  C   UNL     1      25.878  17.719  -5.097  1.00  0.00           C  
HETATM   18  C   UNL     1      27.100  17.120  -5.496  1.00  0.00           C  
HETATM   19 CL   UNL     1      24.816  18.517  -6.311  1.00  0.00          Cl  
HETATM   20  C   UNL     1      32.029  14.806  -2.126  1.00  0.00           C  
HETATM   21  N   UNL     1      32.804  13.370  -4.109  1.00  0.00           N  
HETATM   22  C   UNL     1      31.900  11.089  -4.721  1.00  0.00           C  
HETATM   23  C   UNL     1      31.771  10.353  -5.925  1.00  0.00           C  
HETATM   24 FE   UNL     1      33.725  10.761  -5.554  1.00  0.00          Fe  
HETATM   25  C   UNL     1      34.811   9.679  -4.269  1.00  0.00           C  
HETATM   26  C   UNL     1      35.265   9.845  -6.450  1.00  0.00           C  
HETATM   27  C   UNL     1      35.410  10.952  -4.486  1.00  0.00           C  
HETATM   28  O   UNL     1      30.766  13.098  -3.123  1.00  0.00           O  
HETATM   29  C   UNL     1      30.959  16.324  -0.448  1.00  0.00           C  
HETATM   30  N   UNL     1      32.130  17.052  -0.279  1.00  0.00           N  
HETATM   31  N   UNL     1      31.816  18.040   0.637  1.00  0.00           N  
HETATM   32  C   UNL     1      30.542  17.912   0.989  1.00  0.00           C  
HETATM   33  C   UNL     1      29.746  18.793   1.994  1.00  0.00           C  
HETATM   34  N   UNL     1      30.046  16.799   0.322  1.00  0.00           N  
HETATM   35  C   UNL     1      28.766  16.351   0.374  1.00  0.00           C  
HETATM   36  S   UNL     1      27.767  16.185   1.854  1.00  0.00           S  
HETATM   37  C   UNL     1      26.344  15.506   1.000  1.00  0.00           C  
HETATM   38  C   UNL     1      24.992  15.086   1.685  1.00  0.00           C  
HETATM   39  H   UNL     1      28.866  16.058  -4.839  1.00  0.00           H  
HETATM   40  H   UNL     1      30.541  14.227  -0.705  1.00  0.00           H  
HETATM   41  H   UNL     1      25.818  13.777  -1.687  1.00  0.00           H  
HETATM   42  H   UNL     1      24.636  15.069  -1.290  1.00  0.00           H  
HETATM   43  H   UNL     1      25.904  15.361  -2.529  1.00  0.00           H  
HETATM   44  H   UNL     1      26.012  17.090  -1.735  1.00  0.00           H  
HETATM   45  H   UNL     1      24.540  18.167  -3.458  1.00  0.00           H  
HETATM   46  H   UNL     1      27.395  17.139  -6.535  1.00  0.00           H  
HETATM   47  H   UNL     1      32.347  15.718  -2.652  1.00  0.00           H  
HETATM   48  H   UNL     1      32.815  14.496  -1.421  1.00  0.00           H  
HETATM   49  H   UNL     1      33.678  13.855  -4.136  1.00  0.00           H  
HETATM   50  H   UNL     1      30.405  19.576   2.398  1.00  0.00           H  
HETATM   51  H   UNL     1      28.895  19.260   1.477  1.00  0.00           H  
HETATM   52  H   UNL     1      29.375  18.165   2.818  1.00  0.00           H  
HETATM   53  H   UNL     1      25.055  15.273   2.767  1.00  0.00           H  
HETATM   54  H   UNL     1      24.167  15.675   1.259  1.00  0.00           H  
HETATM   55  H   UNL     1      24.808  14.016   1.508  1.00  0.00           H  
CONECT    1   14   14   18   39                                       
CONECT    2    3   13   13                                            
CONECT    3    2   20   29   40                                       
CONECT    4   20   21   28   28                                       
CONECT    5    7   21   22   24                                       
CONECT    6    7    7   23   24                                       
CONECT    7    5    6    6   24                                       
CONECT    8   24   25   26                                            
CONECT    9   24   26   26   27                                       
CONECT   10   11   41   42   43                                       
CONECT   11   10   12   37   37                                       
CONECT   12   11   13   35   35                                       
CONECT   13    2    2   12   14                                       
CONECT   14    1    1   13   15                                       
CONECT   15   14   16   16   44                                       
CONECT   16   15   15   17   45                                       
CONECT   17   16   18   18   19                                       
CONECT   18    1   17   17   46                                       
CONECT   19   17                                                      
CONECT   20    3    4   47   48                                       
CONECT   21    4    5   49                                            
CONECT   22    5   23   23   24                                       
CONECT   23    6   22   22   24                                       
CONECT   24    5    6    7    8                                       
CONECT   24    9   22   23   25                                       
CONECT   24   26   27                                                 
CONECT   25    8   24   27   27                                       
CONECT   26    8    9    9   24                                       
CONECT   27    9   24   25   25                                       
CONECT   28    4    4                                                 
CONECT   29    3   30   30   34                                       
CONECT   30   29   29   31                                            
CONECT   31   30   32   32                                            
CONECT   32   31   31   33   34                                       
CONECT   33   32   50   51   52                                       
CONECT   34   29   32   35                                            
CONECT   35   12   12   34   36                                       
CONECT   36   35   37                                                 
CONECT   37   11   11   36   38                                       
CONECT   38   37   53   54   55                                       
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   33                                                      
CONECT   51   33                                                      
CONECT   52   33                                                      
CONECT   53   38                                                      
CONECT   54   38                                                      
CONECT   55   38                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
