COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.834   0.711   2.759  1.00  0.00           O  
HETATM    2  C   UNL     1       9.779   0.599   1.550  1.00  0.00           C  
HETATM    3  N   UNL     1      10.630  -0.160   0.847  1.00  0.00           N  
HETATM    4  N   UNL     1       8.859   1.219   0.799  1.00  0.00           N  
HETATM    5  C   UNL     1       9.076   0.870  -0.613  1.00  0.00           C  
HETATM    6  C   UNL     1      10.285  -0.072  -0.581  1.00  0.00           C  
HETATM    7  C   UNL     1       9.947  -1.480  -1.109  1.00  0.00           C  
HETATM    8  S   UNL     1       8.134  -1.594  -0.824  1.00  0.00           S  
HETATM    9  C   UNL     1       7.813   0.181  -1.166  1.00  0.00           C  
HETATM   10  C   UNL     1       6.565   0.656  -0.419  1.00  0.00           C  
HETATM   11  C   UNL     1       5.320   0.051  -1.071  1.00  0.00           C  
HETATM   12  C   UNL     1       4.072   0.527  -0.324  1.00  0.00           C  
HETATM   13  C   UNL     1       2.827  -0.079  -0.975  1.00  0.00           C  
HETATM   14  C   UNL     1       1.597   0.390  -0.240  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.818   0.437   0.075  1.00  0.00           C  
HETATM   16  O   UNL     1       1.706   1.135   0.710  1.00  0.00           O  
HETATM   17  N   UNL     1       0.377  -0.019  -0.640  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.064  -0.168  -0.576  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.262   0.289   0.140  1.00  0.00           N1+
HETATM   20  C   UNL     1      -3.502   1.753   0.157  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.446  -0.232   1.518  1.00  0.00           C  
HETATM   22 FE   UNL     1      -4.986  -0.231  -0.581  1.00  0.00          Fe  
HETATM   23  N   UNL     1      -5.884   1.382  -0.119  1.00  0.00           N1+
HETATM   24  C   UNL     1      -7.154   1.693  -0.112  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.579   2.949   0.285  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.610   3.861   0.674  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.285   3.492   0.644  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.936   2.211   0.218  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.409  -1.526   0.747  1.00  0.00           N1+
HETATM   30  C   UNL     1      -4.434  -1.354   1.700  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.363  -2.418   0.812  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.463  -3.279   1.890  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.516  -3.162   2.896  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.491  -2.219   2.806  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.081  -0.795  -2.372  1.00  0.00           N  
HETATM   36  N   UNL     1      -6.052  -1.175  -2.791  1.00  0.00           N1+
HETATM   37  N   UNL     1      -7.023  -1.555  -3.210  1.00  0.00           N  
HETATM   38  H   UNL     1      11.357  -0.684   1.219  1.00  0.00           H  
HETATM   39  H   UNL     1       8.162   1.806   1.133  1.00  0.00           H  
HETATM   40  H   UNL     1       9.307   1.765  -1.192  1.00  0.00           H  
HETATM   41  H   UNL     1      11.112   0.355  -1.148  1.00  0.00           H  
HETATM   42  H   UNL     1      10.177  -1.560  -2.172  1.00  0.00           H  
HETATM   43  H   UNL     1      10.479  -2.244  -0.542  1.00  0.00           H  
HETATM   44  H   UNL     1       7.714   0.356  -2.237  1.00  0.00           H  
HETATM   45  H   UNL     1       6.621   0.339   0.622  1.00  0.00           H  
HETATM   46  H   UNL     1       6.507   1.744  -0.465  1.00  0.00           H  
HETATM   47  H   UNL     1       5.264   0.368  -2.112  1.00  0.00           H  
HETATM   48  H   UNL     1       5.378  -1.036  -1.025  1.00  0.00           H  
HETATM   49  H   UNL     1       4.128   0.210   0.717  1.00  0.00           H  
HETATM   50  H   UNL     1       4.014   1.614  -0.370  1.00  0.00           H  
HETATM   51  H   UNL     1       2.770   0.238  -2.017  1.00  0.00           H  
HETATM   52  H   UNL     1       2.885  -1.166  -0.929  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.762   0.120   1.116  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.877   1.525   0.029  1.00  0.00           H  
HETATM   55  H   UNL     1       0.289  -0.614  -1.400  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.120   0.149  -1.618  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.005  -1.256  -0.530  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.981   2.168   1.020  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.052   2.178  -0.739  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.477  -0.576   1.879  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.760   0.598   2.151  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.883   0.959  -0.421  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.627   3.209   0.291  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.893   4.852   0.998  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.529   4.201   0.947  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.084  -2.484   0.010  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.251  -4.015   1.947  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.548  -3.816   3.754  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.742  -2.141   3.580  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.238  -2.499  -3.156  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2    6   38                                            
CONECT    4    5    2   39                                            
CONECT    5    9    4    6   40                                       
CONECT    6    5    7    3   41                                       
CONECT    7    8    6   42   43                                       
CONECT    8    9    7                                                 
CONECT    9   10    5    8   44                                       
CONECT   10   11    9   45   46                                       
CONECT   11   12   10   47   48                                       
CONECT   12   13   11   49   50                                       
CONECT   13   14   12   51   52                                       
CONECT   14   16   16   17   13                                       
CONECT   15   18   17   53   54                                       
CONECT   16   14   14                                                 
CONECT   17   15   14   55                                            
CONECT   18   15   19   56   57                                       
CONECT   19   22   21   18   20                                       
CONECT   20   19   28   58   59                                       
CONECT   21   30   19   60   61                                       
CONECT   22   35   29   19   23                                       
CONECT   23   24   24   28   22                                       
CONECT   24   23   23   25   62                                       
CONECT   25   24   26   26   63                                       
CONECT   26   25   25   27   64                                       
CONECT   27   28   28   26   65                                       
CONECT   28   23   20   27   27                                       
CONECT   29   31   22   30   30                                       
CONECT   30   29   29   34   21                                       
CONECT   31   32   32   29   66                                       
CONECT   32   31   31   33   67                                       
CONECT   33   32   34   34   68                                       
CONECT   34   33   33   30   69                                       
CONECT   35   36   36   22                                            
CONECT   36   37   37   35   35                                       
CONECT   37   36   36   70                                            
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
