COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      25.324   0.159  -2.989  1.00  0.00           O  
HETATM    2  C   UNL     1      25.730   1.327  -3.162  1.00  0.00           C  
HETATM    3  O   UNL     1      25.187   2.129  -3.991  1.00  0.00           O  
HETATM    4  C   UNL     1      26.785   1.649  -2.392  1.00  0.00           C  
HETATM    5  C   UNL     1      27.458   2.999  -2.390  1.00  0.00           C  
HETATM    6  C   UNL     1      26.921   3.614  -1.098  1.00  0.00           C  
HETATM    7  C   UNL     1      27.786   3.471   0.162  1.00  0.00           C  
HETATM    8  C   UNL     1      27.016   2.604   1.178  1.00  0.00           C  
HETATM    9  C   UNL     1      27.758   1.521   1.939  1.00  0.00           C  
HETATM   10  O   UNL     1      28.189   0.559   1.264  1.00  0.00           O  
HETATM   11  O   UNL     1      27.880   1.622   3.189  1.00  0.00           O  
HETATM   12  C   UNL     1      29.229   3.039  -0.144  1.00  0.00           C  
HETATM   13  C   UNL     1      26.633   5.081  -1.186  1.00  0.00           C  
HETATM   14  N   UNL     1      27.185   5.770  -0.189  1.00  0.00           N  
HETATM   15  C   UNL     1      27.707   4.886   0.682  1.00  0.00           C  
HETATM   16  C   UNL     1      25.814   5.617  -2.072  1.00  0.00           C  
HETATM   17  C   UNL     1      24.946   6.726  -1.650  1.00  0.00           C  
HETATM   18  C   UNL     1      23.572   6.969  -2.156  1.00  0.00           C  
HETATM   19  C   UNL     1      22.752   6.149  -3.146  1.00  0.00           C  
HETATM   20  C   UNL     1      22.006   5.051  -2.416  1.00  0.00           C  
HETATM   21  O   UNL     1      21.815   5.183  -1.186  1.00  0.00           O  
HETATM   22  O   UNL     1      21.618   4.041  -3.053  1.00  0.00           O  
HETATM   23  C   UNL     1      23.203   8.208  -1.439  1.00  0.00           C  
HETATM   24  C   UNL     1      21.888   8.935  -1.559  1.00  0.00           C  
HETATM   25  C   UNL     1      21.845  10.257  -0.796  1.00  0.00           C  
HETATM   26  C   UNL     1      20.452  10.827  -0.892  1.00  0.00           C  
HETATM   27  O   UNL     1      20.156  11.922  -0.349  1.00  0.00           O  
HETATM   28  O   UNL     1      19.650  10.152  -1.549  1.00  0.00           O  
HETATM   29  C   UNL     1      24.421   8.513  -0.624  1.00  0.00           C  
HETATM   30  C   UNL     1      24.565   9.661   0.306  1.00  0.00           C  
HETATM   31  C   UNL     1      25.836  10.115   0.909  1.00  0.00           C  
HETATM   32  C   UNL     1      25.993  11.408   1.622  1.00  0.00           C  
HETATM   33  C   UNL     1      24.979  12.469   1.870  1.00  0.00           C  
HETATM   34  C   UNL     1      24.656  13.105   0.534  1.00  0.00           C  
HETATM   35  C   UNL     1      23.787  14.287   0.838  1.00  0.00           C  
HETATM   36  O   UNL     1      22.684  14.459   0.242  1.00  0.00           O  
HETATM   37  O   UNL     1      24.256  15.025   1.714  1.00  0.00           O  
HETATM   38  C   UNL     1      27.403  11.437   2.039  1.00  0.00           C  
HETATM   39  C   UNL     1      28.081  12.560   2.823  1.00  0.00           C  
HETATM   40  C   UNL     1      29.507  12.782   2.431  1.00  0.00           C  
HETATM   41  O   UNL     1      30.404  12.787   3.305  1.00  0.00           O  
HETATM   42  O   UNL     1      29.704  12.944   1.213  1.00  0.00           O  
HETATM   43  N   UNL     1      25.440   7.635  -0.777  1.00  0.00           N  
HETATM   44 CO   UNL     1      27.163   7.599   0.077  1.00  0.00          Co2+
HETATM   45  N   UNL     1      26.958   9.364   0.836  1.00  0.00           N  
HETATM   46  C   UNL     1      27.881  10.119   1.511  1.00  0.00           C  
HETATM   47  C   UNL     1      29.262   9.622   1.638  1.00  0.00           C  
HETATM   48  N   UNL     1      28.686   7.426   1.111  1.00  0.00           N  
HETATM   49  C   UNL     1      29.037   6.372   1.714  1.00  0.00           C  
HETATM   50  C   UNL     1      28.084   5.283   1.892  1.00  0.00           C  
HETATM   51  C   UNL     1      29.598   8.344   1.404  1.00  0.00           C  
HETATM   52  C   UNL     1      30.970   7.731   1.630  1.00  0.00           C  
HETATM   53  C   UNL     1      31.756   7.593   0.314  1.00  0.00           C  
HETATM   54  C   UNL     1      31.626   8.477   2.806  1.00  0.00           C  
HETATM   55  C   UNL     1      33.099   8.842   2.889  1.00  0.00           C  
HETATM   56  O   UNL     1      33.333   9.552   3.900  1.00  0.00           O  
HETATM   57  O   UNL     1      33.991   8.543   2.036  1.00  0.00           O  
HETATM   58  C   UNL     1      30.478   6.389   2.155  1.00  0.00           C  
HETATM   59  C   UNL     1      31.196   5.206   1.542  1.00  0.00           C  
HETATM   60  C   UNL     1      31.799   4.304   2.607  1.00  0.00           C  
HETATM   61  C   UNL     1      32.928   3.595   1.918  1.00  0.00           C  
HETATM   62  O   UNL     1      34.076   4.001   2.164  1.00  0.00           O  
HETATM   63  O   UNL     1      32.674   2.657   1.121  1.00  0.00           O  
HETATM   64  H   UNL     1      24.581  -0.006  -3.557  1.00  0.00           H  
HETATM   65  H   UNL     1      26.458   1.480  -1.356  1.00  0.00           H  
HETATM   66  H   UNL     1      27.572   0.926  -2.651  1.00  0.00           H  
HETATM   67  H   UNL     1      28.553   2.901  -2.362  1.00  0.00           H  
HETATM   68  H   UNL     1      27.166   3.593  -3.268  1.00  0.00           H  
HETATM   69  H   UNL     1      26.590   3.288   1.926  1.00  0.00           H  
HETATM   70  H   UNL     1      26.202   2.110   0.627  1.00  0.00           H  
HETATM   71  H   UNL     1      28.343   0.863   3.525  1.00  0.00           H  
HETATM   72  H   UNL     1      29.794   2.955   0.796  1.00  0.00           H  
HETATM   73  H   UNL     1      29.219   2.065  -0.654  1.00  0.00           H  
HETATM   74  H   UNL     1      29.706   3.788  -0.793  1.00  0.00           H  
HETATM   75  H   UNL     1      25.782   5.248  -3.087  1.00  0.00           H  
HETATM   76  H   UNL     1      23.424   5.699  -3.892  1.00  0.00           H  
HETATM   77  H   UNL     1      22.030   6.806  -3.653  1.00  0.00           H  
HETATM   78  H   UNL     1      21.352   4.423  -0.854  1.00  0.00           H  
HETATM   79  H   UNL     1      21.702   9.142  -2.623  1.00  0.00           H  
HETATM   80  H   UNL     1      21.094   8.282  -1.168  1.00  0.00           H  
HETATM   81  H   UNL     1      22.102  10.083   0.259  1.00  0.00           H  
HETATM   82  H   UNL     1      22.565  10.962  -1.237  1.00  0.00           H  
HETATM   83  H   UNL     1      19.246  12.128  -0.526  1.00  0.00           H  
HETATM   84  H   UNL     1      23.670  10.208   0.563  1.00  0.00           H  
HETATM   85  H   UNL     1      25.386  13.225   2.558  1.00  0.00           H  
HETATM   86  H   UNL     1      24.071  12.027   2.306  1.00  0.00           H  
HETATM   87  H   UNL     1      24.120  12.392  -0.109  1.00  0.00           H  
HETATM   88  H   UNL     1      25.580  13.429   0.032  1.00  0.00           H  
HETATM   89  H   UNL     1      23.659  15.747   1.874  1.00  0.00           H  
HETATM   90  H   UNL     1      27.523  13.492   2.650  1.00  0.00           H  
HETATM   91  H   UNL     1      28.049  12.307   3.893  1.00  0.00           H  
HETATM   92  H   UNL     1      31.247  12.933   2.893  1.00  0.00           H  
HETATM   93  H   UNL     1      30.036  10.315   1.932  1.00  0.00           H  
HETATM   94  H   UNL     1      27.747   4.875   2.833  1.00  0.00           H  
HETATM   95  H   UNL     1      32.740   7.147   0.519  1.00  0.00           H  
HETATM   96  H   UNL     1      31.198   6.947  -0.380  1.00  0.00           H  
HETATM   97  H   UNL     1      31.891   8.587  -0.138  1.00  0.00           H  
HETATM   98  H   UNL     1      31.082   9.429   2.890  1.00  0.00           H  
HETATM   99  H   UNL     1      31.425   7.860   3.694  1.00  0.00           H  
HETATM  100  H   UNL     1      34.248   9.807   3.904  1.00  0.00           H  
HETATM  101  H   UNL     1      30.479   4.623   0.945  1.00  0.00           H  
HETATM  102  H   UNL     1      32.001   5.576   0.890  1.00  0.00           H  
HETATM  103  H   UNL     1      32.174   4.900   3.452  1.00  0.00           H  
HETATM  104  H   UNL     1      31.053   3.582   2.970  1.00  0.00           H  
HETATM  105  H   UNL     1      34.705   3.496   1.662  1.00  0.00           H  
HETATM  106  H   UNL     1      25.967   3.111  -0.882  1.00  0.00           H  
HETATM  107  H   UNL     1      30.548   6.357   3.252  1.00  0.00           H  
CONECT    1    2   64                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   65   66                                       
CONECT    5    4    6   67   68                                       
CONECT    6    5   13    7  106                                       
CONECT    7    6   12   15    8                                       
CONECT    8    7    9   69   70                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   71                                                 
CONECT   12    7   72   73   74                                       
CONECT   13   16   16    6   14                                       
CONECT   14   13   44   15                                            
CONECT   15   14    7   50   50                                       
CONECT   16   17   13   13   75                                       
CONECT   17   18   16   43   43                                       
CONECT   18   19   17   23   23                                       
CONECT   19   20   18   76   77                                       
CONECT   20   19   22   22   21                                       
CONECT   21   20   78                                                 
CONECT   22   20   20                                                 
CONECT   23   18   18   24   29                                       
CONECT   24   23   25   79   80                                       
CONECT   25   24   26   81   82                                       
CONECT   26   28   28   25   27                                       
CONECT   27   26   83                                                 
CONECT   28   26   26                                                 
CONECT   29   23   43   30   30                                       
CONECT   30   29   29   31   84                                       
CONECT   31   30   45   32   32                                       
CONECT   32   31   31   33   38                                       
CONECT   33   34   32   85   86                                       
CONECT   34   35   33   87   88                                       
CONECT   35   36   36   34   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   89                                                 
CONECT   38   46   46   32   39                                       
CONECT   39   38   40   90   91                                       
CONECT   40   42   42   39   41                                       
CONECT   41   40   92                                                 
CONECT   42   40   40                                                 
CONECT   43   17   17   29   44                                       
CONECT   44   43   14   45   48                                       
CONECT   45   44   31   46                                            
CONECT   46   45   47   38   38                                       
CONECT   47   51   51   46   93                                       
CONECT   48   44   51   49   49                                       
CONECT   49   48   48   50   58                                       
CONECT   50   15   15   49   94                                       
CONECT   51   48   52   47   47                                       
CONECT   52   53   51   58   54                                       
CONECT   53   52   95   96   97                                       
CONECT   54   52   55   98   99                                       
CONECT   55   57   57   54   56                                       
CONECT   56   55  100                                                 
CONECT   57   55   55                                                 
CONECT   58   59   52   49  107                                       
CONECT   59   58   60  101  102                                       
CONECT   60   59   61  103  104                                       
CONECT   61   63   63   62   60                                       
CONECT   62   61  105                                                 
CONECT   63   61   61                                                 
CONECT   64    1                                                      
CONECT   65    4                                                      
CONECT   66    4                                                      
CONECT   67    5                                                      
CONECT   68    5                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   12                                                      
CONECT   74   12                                                      
CONECT   75   16                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   21                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   27                                                      
CONECT   84   30                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   37                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   41                                                      
CONECT   93   47                                                      
CONECT   94   50                                                      
CONECT   95   53                                                      
CONECT   96   53                                                      
CONECT   97   53                                                      
CONECT   98   54                                                      
CONECT   99   54                                                      
CONECT  100   56                                                      
CONECT  101   59                                                      
CONECT  102   59                                                      
CONECT  103   60                                                      
CONECT  104   60                                                      
CONECT  105   62                                                      
CONECT  106    6                                                      
CONECT  107   58                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
