COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      36.993  -5.681  -6.687  1.00  0.00           N  
HETATM    2  C   UNL     1      36.538  -4.446  -6.472  1.00  0.00           C  
HETATM    3  O   UNL     1      35.342  -4.247  -6.285  1.00  0.00           O  
HETATM    4  C   UNL     1      37.514  -3.267  -6.438  1.00  0.00           C  
HETATM    5  C   UNL     1      37.720  -2.586  -7.809  1.00  0.00           C  
HETATM    6  C   UNL     1      38.826  -1.498  -7.874  1.00  0.00           C  
HETATM    7  C   UNL     1      38.887  -0.821  -9.247  1.00  0.00           C  
HETATM    8  C   UNL     1      40.201  -2.137  -7.535  1.00  0.00           C  
HETATM    9  C   UNL     1      40.699  -1.300  -6.397  1.00  0.00           C  
HETATM   10  C   UNL     1      41.141  -2.457  -8.701  1.00  0.00           C  
HETATM   11  C   UNL     1      40.707  -3.797  -9.272  1.00  0.00           C  
HETATM   12  N   UNL     1      40.204  -3.787 -10.513  1.00  0.00           N  
HETATM   13  O   UNL     1      40.803  -4.817  -8.601  1.00  0.00           O  
HETATM   14  C   UNL     1      38.635  -0.423  -6.784  1.00  0.00           C  
HETATM   15  N   UNL     1      39.716  -0.419  -5.913  1.00  0.00           N1-
HETATM   16  C   UNL     1      37.527   0.296  -6.537  1.00  0.00           C  
HETATM   17  C   UNL     1      36.347   0.196  -7.475  1.00  0.00           C  
HETATM   18  C   UNL     1      37.462   1.271  -5.434  1.00  0.00           C  
HETATM   19  C   UNL     1      36.170   1.938  -4.987  1.00  0.00           C  
HETATM   20  C   UNL     1      35.247   0.949  -4.246  1.00  0.00           C  
HETATM   21  C   UNL     1      33.747   1.305  -4.241  1.00  0.00           C  
HETATM   22  C   UNL     1      33.284   1.853  -5.577  1.00  0.00           C  
HETATM   23  N   UNL     1      33.271   1.016  -6.599  1.00  0.00           N  
HETATM   24  O   UNL     1      32.932   3.000  -5.728  1.00  0.00           O  
HETATM   25  C   UNL     1      36.689   3.139  -4.147  1.00  0.00           C  
HETATM   26  C   UNL     1      35.893   3.544  -2.902  1.00  0.00           C  
HETATM   27  C   UNL     1      36.863   4.345  -5.054  1.00  0.00           C  
HETATM   28  C   UNL     1      38.082   2.665  -3.788  1.00  0.00           C  
HETATM   29  N   UNL     1      38.627   1.817  -4.788  1.00  0.00           N  
HETATM   30  C   UNL     1      38.737   3.100  -2.721  1.00  0.00           C  
HETATM   31  C   UNL     1      40.082   2.665  -2.340  1.00  0.00           C  
HETATM   32  C   UNL     1      40.804   3.220  -1.158  1.00  0.00           C  
HETATM   33  C   UNL     1      40.374   2.429   0.090  1.00  0.00           C  
HETATM   34  C   UNL     1      38.873   2.518   0.360  1.00  0.00           C  
HETATM   35  C   UNL     1      38.438   1.946   1.689  1.00  0.00           C  
HETATM   36  N   UNL     1      37.589   2.700   2.364  1.00  0.00           N  
HETATM   37  O   UNL     1      38.817   0.870   2.107  1.00  0.00           O  
HETATM   38  C   UNL     1      42.267   3.007  -1.605  1.00  0.00           C  
HETATM   39  C   UNL     1      43.197   2.660  -0.443  1.00  0.00           C  
HETATM   40  C   UNL     1      42.720   4.223  -2.407  1.00  0.00           C  
HETATM   41  C   UNL     1      42.860   5.484  -1.575  1.00  0.00           C  
HETATM   42  N   UNL     1      44.065   5.846  -1.159  1.00  0.00           N  
HETATM   43  O   UNL     1      41.888   6.133  -1.328  1.00  0.00           O  
HETATM   44  C   UNL     1      42.182   1.862  -2.602  1.00  0.00           C  
HETATM   45  N   UNL     1      40.815   1.626  -2.912  1.00  0.00           N  
HETATM   46  C   UNL     1      43.218   1.103  -3.050  1.00  0.00           C  
HETATM   47  C   UNL     1      44.631   1.372  -2.619  1.00  0.00           C  
HETATM   48  C   UNL     1      43.003  -0.001  -4.002  1.00  0.00           C  
HETATM   49  C   UNL     1      44.060  -0.879  -4.612  1.00  0.00           C  
HETATM   50  C   UNL     1      44.551  -1.904  -3.570  1.00  0.00           C  
HETATM   51  C   UNL     1      46.065  -2.117  -3.624  1.00  0.00           C  
HETATM   52  C   UNL     1      46.447  -3.405  -2.926  1.00  0.00           C  
HETATM   53  N   UNL     1      47.655  -3.439  -2.369  1.00  0.00           N  
HETATM   54  O   UNL     1      45.683  -4.349  -2.884  1.00  0.00           O  
HETATM   55  C   UNL     1      43.341  -1.527  -5.828  1.00  0.00           C  
HETATM   56  C   UNL     1      43.754  -2.990  -6.060  1.00  0.00           C  
HETATM   57  C   UNL     1      41.849  -1.478  -5.421  1.00  0.00           C  
HETATM   58  C   UNL     1      41.346  -2.720  -4.672  1.00  0.00           C  
HETATM   59  N   UNL     1      41.720  -0.424  -4.368  1.00  0.00           N  
HETATM   60 CO   UNL     1      40.264   0.821  -4.537  1.00  0.00          Co2+
HETATM   61  C   UNL     1      43.681  -0.663  -7.056  1.00  0.00           C  
HETATM   62  C   UNL     1      45.175  -0.529  -7.319  1.00  0.00           C  
HETATM   63  O   UNL     1      45.822   0.436  -6.947  1.00  0.00           O  
HETATM   64  N   UNL     1      45.735  -1.526  -7.987  1.00  0.00           N  
HETATM   65  C   UNL     1      36.287  -6.737  -7.427  1.00  0.00           C  
HETATM   66  C   UNL     1      34.800  -6.343  -7.363  1.00  0.00           C  
HETATM   67  C   UNL     1      34.433  -7.593  -8.183  1.00  0.00           C  
HETATM   68  O   UNL     1      34.902  -6.906  -6.052  1.00  0.00           O  
HETATM   69  H   UNL     1      37.892  -5.908  -6.313  1.00  0.00           H  
HETATM   70  H   UNL     1      37.126  -2.517  -5.733  1.00  0.00           H  
HETATM   71  H   UNL     1      38.488  -3.634  -6.084  1.00  0.00           H  
HETATM   72  H   UNL     1      37.976  -3.369  -8.538  1.00  0.00           H  
HETATM   73  H   UNL     1      36.768  -2.115  -8.096  1.00  0.00           H  
HETATM   74  H   UNL     1      39.682  -0.060  -9.246  1.00  0.00           H  
HETATM   75  H   UNL     1      39.102  -1.575 -10.018  1.00  0.00           H  
HETATM   76  H   UNL     1      37.921  -0.341  -9.462  1.00  0.00           H  
HETATM   77  H   UNL     1      39.955  -3.113  -7.092  1.00  0.00           H  
HETATM   78  H   UNL     1      41.212  -0.559  -7.028  1.00  0.00           H  
HETATM   79  H   UNL     1      41.065  -1.676  -9.472  1.00  0.00           H  
HETATM   80  H   UNL     1      42.179  -2.518  -8.342  1.00  0.00           H  
HETATM   81  H   UNL     1      39.887  -4.638 -10.931  1.00  0.00           H  
HETATM   82  H   UNL     1      40.146  -2.928 -11.022  1.00  0.00           H  
HETATM   83  H   UNL     1      35.537   0.849  -7.117  1.00  0.00           H  
HETATM   84  H   UNL     1      36.653   0.510  -8.484  1.00  0.00           H  
HETATM   85  H   UNL     1      35.992  -0.845  -7.507  1.00  0.00           H  
HETATM   86  H   UNL     1      35.640   2.327  -5.869  1.00  0.00           H  
HETATM   87  H   UNL     1      35.358  -0.037  -4.721  1.00  0.00           H  
HETATM   88  H   UNL     1      35.584   0.892  -3.200  1.00  0.00           H  
HETATM   89  H   UNL     1      33.168   0.398  -4.010  1.00  0.00           H  
HETATM   90  H   UNL     1      33.565   2.063  -3.465  1.00  0.00           H  
HETATM   91  H   UNL     1      32.970   1.331  -7.499  1.00  0.00           H  
HETATM   92  H   UNL     1      33.562   0.068  -6.472  1.00  0.00           H  
HETATM   93  H   UNL     1      36.381   4.403  -2.417  1.00  0.00           H  
HETATM   94  H   UNL     1      34.870   3.822  -3.195  1.00  0.00           H  
HETATM   95  H   UNL     1      35.856   2.698  -2.199  1.00  0.00           H  
HETATM   96  H   UNL     1      37.230   5.198  -4.464  1.00  0.00           H  
HETATM   97  H   UNL     1      37.589   4.107  -5.845  1.00  0.00           H  
HETATM   98  H   UNL     1      35.896   4.604  -5.510  1.00  0.00           H  
HETATM   99  H   UNL     1      38.245   3.825  -2.089  1.00  0.00           H  
HETATM  100  H   UNL     1      40.593   4.292  -1.028  1.00  0.00           H  
HETATM  101  H   UNL     1      40.643   1.372  -0.054  1.00  0.00           H  
HETATM  102  H   UNL     1      40.912   2.829   0.962  1.00  0.00           H  
HETATM  103  H   UNL     1      38.581   3.578   0.331  1.00  0.00           H  
HETATM  104  H   UNL     1      38.348   1.971  -0.437  1.00  0.00           H  
HETATM  105  H   UNL     1      37.238   2.390   3.248  1.00  0.00           H  
HETATM  106  H   UNL     1      37.297   3.581   1.991  1.00  0.00           H  
HETATM  107  H   UNL     1      44.221   2.520  -0.821  1.00  0.00           H  
HETATM  108  H   UNL     1      43.186   3.478   0.292  1.00  0.00           H  
HETATM  109  H   UNL     1      42.854   1.732   0.037  1.00  0.00           H  
HETATM  110  H   UNL     1      43.696   3.996  -2.861  1.00  0.00           H  
HETATM  111  H   UNL     1      41.982   4.411  -3.201  1.00  0.00           H  
HETATM  112  H   UNL     1      44.179   6.683  -0.623  1.00  0.00           H  
HETATM  113  H   UNL     1      44.861   5.283  -1.381  1.00  0.00           H  
HETATM  114  H   UNL     1      45.305   0.646  -3.096  1.00  0.00           H  
HETATM  115  H   UNL     1      44.918   2.391  -2.919  1.00  0.00           H  
HETATM  116  H   UNL     1      44.705   1.277  -1.526  1.00  0.00           H  
HETATM  117  H   UNL     1      44.906  -0.271  -4.964  1.00  0.00           H  
HETATM  118  H   UNL     1      44.281  -1.543  -2.566  1.00  0.00           H  
HETATM  119  H   UNL     1      44.053  -2.866  -3.760  1.00  0.00           H  
HETATM  120  H   UNL     1      46.386  -2.166  -4.675  1.00  0.00           H  
HETATM  121  H   UNL     1      46.567  -1.274  -3.127  1.00  0.00           H  
HETATM  122  H   UNL     1      47.964  -4.263  -1.894  1.00  0.00           H  
HETATM  123  H   UNL     1      48.254  -2.641  -2.426  1.00  0.00           H  
HETATM  124  H   UNL     1      43.214  -3.391  -6.930  1.00  0.00           H  
HETATM  125  H   UNL     1      44.837  -3.040  -6.246  1.00  0.00           H  
HETATM  126  H   UNL     1      43.507  -3.586  -5.169  1.00  0.00           H  
HETATM  127  H   UNL     1      42.076  -3.004  -3.900  1.00  0.00           H  
HETATM  128  H   UNL     1      40.379  -2.495  -4.197  1.00  0.00           H  
HETATM  129  H   UNL     1      41.222  -3.551  -5.382  1.00  0.00           H  
HETATM  130  H   UNL     1      43.213  -1.119  -7.941  1.00  0.00           H  
HETATM  131  H   UNL     1      43.265   0.343  -6.898  1.00  0.00           H  
HETATM  132  H   UNL     1      46.712  -1.500  -8.198  1.00  0.00           H  
HETATM  133  H   UNL     1      45.181  -2.305  -8.280  1.00  0.00           H  
HETATM  134  H   UNL     1      36.632  -6.775  -8.471  1.00  0.00           H  
HETATM  135  H   UNL     1      36.448  -7.716  -6.952  1.00  0.00           H  
HETATM  136  H   UNL     1      34.434  -5.335  -7.608  1.00  0.00           H  
HETATM  137  H   UNL     1      33.344  -7.626  -8.335  1.00  0.00           H  
HETATM  138  H   UNL     1      34.939  -7.552  -9.159  1.00  0.00           H  
HETATM  139  H   UNL     1      34.754  -8.495  -7.641  1.00  0.00           H  
HETATM  140  H   UNL     1      35.121  -6.222  -5.430  1.00  0.00           H  
CONECT    1    2   65   69                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   70   71                                       
CONECT    5    4    6   72   73                                       
CONECT    6    5    7    8   14                                       
CONECT    7    6   74   75   76                                       
CONECT    8    6    9   10   77                                       
CONECT    9    8   15   57   78                                       
CONECT   10    8   11   79   80                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11   81   82                                            
CONECT   13   11   11                                                 
CONECT   14    6   15   16   16                                       
CONECT   15    9   14   60                                            
CONECT   16   14   14   17   18                                       
CONECT   17   16   83   84   85                                       
CONECT   18   16   19   29   29                                       
CONECT   19   18   20   25   86                                       
CONECT   20   19   21   87   88                                       
CONECT   21   20   22   89   90                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   91   92                                            
CONECT   24   22   22                                                 
CONECT   25   19   26   27   28                                       
CONECT   26   25   93   94   95                                       
CONECT   27   25   96   97   98                                       
CONECT   28   25   29   30   30                                       
CONECT   29   18   18   28   60                                       
CONECT   30   28   28   31   99                                       
CONECT   31   30   32   45   45                                       
CONECT   32   31   33   38  100                                       
CONECT   33   32   34  101  102                                       
CONECT   34   33   35  103  104                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35  105  106                                            
CONECT   37   35   35                                                 
CONECT   38   32   39   40   44                                       
CONECT   39   38  107  108  109                                       
CONECT   40   38   41  110  111                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41  112  113                                            
CONECT   43   41   41                                                 
CONECT   44   38   45   46   46                                       
CONECT   45   31   31   44   60                                       
CONECT   46   44   44   47   48                                       
CONECT   47   46  114  115  116                                       
CONECT   48   46   49   59   59                                       
CONECT   49   48   50   55  117                                       
CONECT   50   49   51  118  119                                       
CONECT   51   50   52  120  121                                       
CONECT   52   51   53   54   54                                       
CONECT   53   52  122  123                                            
CONECT   54   52   52                                                 
CONECT   55   49   56   57   61                                       
CONECT   56   55  124  125  126                                       
CONECT   57    9   55   58   59                                       
CONECT   58   57  127  128  129                                       
CONECT   59   48   48   57   60                                       
CONECT   60   15   29   45   59                                       
CONECT   61   55   62  130  131                                       
CONECT   62   61   63   63   64                                       
CONECT   63   62   62                                                 
CONECT   64   62  132  133                                            
CONECT   65    1   66  134  135                                       
CONECT   66   65   67   68  136                                       
CONECT   67   66  137  138  139                                       
CONECT   68   66  140                                                 
CONECT   69    1                                                      
CONECT   70    4                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    5                                                      
CONECT   74    7                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78    9                                                      
CONECT   79   10                                                      
CONECT   80   10                                                      
CONECT   81   12                                                      
CONECT   82   12                                                      
CONECT   83   17                                                      
CONECT   84   17                                                      
CONECT   85   17                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   20                                                      
CONECT   89   21                                                      
CONECT   90   21                                                      
CONECT   91   23                                                      
CONECT   92   23                                                      
CONECT   93   26                                                      
CONECT   94   26                                                      
CONECT   95   26                                                      
CONECT   96   27                                                      
CONECT   97   27                                                      
CONECT   98   27                                                      
CONECT   99   30                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   34                                                      
CONECT  105   36                                                      
CONECT  106   36                                                      
CONECT  107   39                                                      
CONECT  108   39                                                      
CONECT  109   39                                                      
CONECT  110   40                                                      
CONECT  111   40                                                      
CONECT  112   42                                                      
CONECT  113   42                                                      
CONECT  114   47                                                      
CONECT  115   47                                                      
CONECT  116   47                                                      
CONECT  117   49                                                      
CONECT  118   50                                                      
CONECT  119   50                                                      
CONECT  120   51                                                      
CONECT  121   51                                                      
CONECT  122   53                                                      
CONECT  123   53                                                      
CONECT  124   56                                                      
CONECT  125   56                                                      
CONECT  126   56                                                      
CONECT  127   58                                                      
CONECT  128   58                                                      
CONECT  129   58                                                      
CONECT  130   61                                                      
CONECT  131   61                                                      
CONECT  132   64                                                      
CONECT  133   64                                                      
CONECT  134   65                                                      
CONECT  135   65                                                      
CONECT  136   66                                                      
CONECT  137   67                                                      
CONECT  138   67                                                      
CONECT  139   67                                                      
CONECT  140   68                                                      
MASTER        0    0    0    0    0    0    0    0  140    0  140    0
END
