COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CO   UNL     1      -3.777   0.555   0.616  1.00  0.00          Co2+
HETATM    2  N   UNL     1      -3.549  -1.201   0.953  1.00  0.00           N  
HETATM    3  N   UNL     1      -5.051  -0.047  -0.553  1.00  0.00           N  
HETATM    4  N   UNL     1      -3.303   1.984  -0.396  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.437   0.816   1.783  1.00  0.00           N1-
HETATM    6  C   UNL     1      -2.238  -1.426   1.530  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.211  -1.651   0.413  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.384  -2.700   2.368  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.067  -3.455   2.460  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.953  -2.392   3.744  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.558  -3.643   4.328  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.425  -4.705   3.757  1.00  0.00           O  
HETATM   13  N   UNL     1      -4.246  -3.582   5.486  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.416  -3.459   1.483  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.704  -4.241   0.382  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.734  -5.024  -0.435  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.031  -5.797  -1.522  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.826  -5.728  -1.632  1.00  0.00           O  
HETATM   19  N   UNL     1      -3.743  -6.564  -2.371  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.215  -2.336   0.887  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.495  -2.297   0.311  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.464  -3.432   0.439  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.785  -1.160  -0.389  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.071  -1.029  -1.182  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.457  -2.361  -1.812  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.195  -0.483  -0.314  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.417  -0.247  -1.163  1.00  0.00           C  
HETATM   28  O   UNL     1      -9.414  -0.568  -2.333  1.00  0.00           O  
HETATM   29  N   UNL     1     -10.515   0.319  -0.623  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.656  -0.016  -2.254  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.377  -0.718  -3.579  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.164   0.328  -4.675  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.081  -0.357  -6.015  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.182  -1.563  -6.086  1.00  0.00           O  
HETATM   35  N   UNL     1      -5.894   0.371  -7.134  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.370   0.559  -1.680  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.714   1.618  -2.307  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.679   2.243  -1.665  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.810   3.317  -2.264  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.717   2.707  -3.131  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.648   4.312  -3.055  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.222   3.965  -1.010  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.709   4.117  -1.143  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.394   5.250  -2.122  1.00  0.00           C  
HETATM   45  C   UNL     1       1.099   5.420  -2.230  1.00  0.00           C  
HETATM   46  O   UNL     1       1.839   4.705  -1.588  1.00  0.00           O  
HETATM   47  N   UNL     1       1.613   6.367  -3.040  1.00  0.00           N  
HETATM   48  C   UNL     1      -2.554   2.947   0.083  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.078   3.059   1.400  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.619   4.406   1.905  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.010   1.989   2.209  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.397   1.756   3.575  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.426   1.953   4.678  1.00  0.00           C  
HETATM   54  C   UNL     1      -0.175   2.636   3.786  1.00  0.00           C  
HETATM   55  C   UNL     1       0.848   2.361   2.683  1.00  0.00           C  
HETATM   56  C   UNL     1       2.003   3.319   2.818  1.00  0.00           C  
HETATM   57  O   UNL     1       2.007   4.142   3.710  1.00  0.00           O  
HETATM   58  N   UNL     1       3.032   3.263   1.949  1.00  0.00           N  
HETATM   59  C   UNL     1      -0.996   0.269   3.449  1.00  0.00           C  
HETATM   60  C   UNL     1      -1.344  -0.486   4.728  1.00  0.00           C  
HETATM   61  C   UNL     1      -0.721   0.213   5.909  1.00  0.00           C  
HETATM   62  O   UNL     1       0.218   0.963   5.744  1.00  0.00           O  
HETATM   63  N   UNL     1      -1.207   0.005   7.148  1.00  0.00           N  
HETATM   64  C   UNL     1      -1.883  -0.201   2.297  1.00  0.00           C  
HETATM   65  C   UNL     1       4.154   4.195   2.081  1.00  0.00           C  
HETATM   66  C   UNL     1       5.129   3.987   0.920  1.00  0.00           C  
HETATM   67  C   UNL     1       6.224   5.054   0.976  1.00  0.00           C  
HETATM   68  O   UNL     1       5.721   2.690   1.022  1.00  0.00           O  
HETATM   69  O   UNL     1       3.971   1.738  -0.693  1.00  0.00           O  
HETATM   70  O   UNL     1       6.100   2.850  -1.468  1.00  0.00           O  
HETATM   71  P   UNL     1       5.537   1.981  -0.411  1.00  0.00           P  
HETATM   72  O   UNL     1       6.308   0.567  -0.413  1.00  0.00           O  
HETATM   73  C   UNL     1       6.208   0.044  -1.739  1.00  0.00           C  
HETATM   74  C   UNL     1       7.614  -0.201  -2.332  1.00  0.00           C  
HETATM   75  O   UNL     1       8.625   0.166  -1.390  1.00  0.00           O  
HETATM   76  C   UNL     1       7.648  -1.722  -2.601  1.00  0.00           C  
HETATM   77  O   UNL     1       6.262  -2.103  -2.739  1.00  0.00           O  
HETATM   78  C   UNL     1       5.556  -1.356  -1.722  1.00  0.00           C  
HETATM   79  C   UNL     1       4.068  -1.262  -2.066  1.00  0.00           C  
HETATM   80  O   UNL     1       3.481  -2.564  -2.000  1.00  0.00           O  
HETATM   81  N   UNL     1       8.263  -2.426  -1.474  1.00  0.00           N  
HETATM   82  C   UNL     1       9.612  -2.493  -1.189  1.00  0.00           C  
HETATM   83  C   UNL     1       7.611  -3.140  -0.516  1.00  0.00           C  
HETATM   84  N   UNL     1       8.465  -3.632   0.333  1.00  0.00           N  
HETATM   85  C   UNL     1       9.724  -3.267  -0.021  1.00  0.00           C  
HETATM   86  C   UNL     1      10.987  -3.512   0.524  1.00  0.00           C  
HETATM   87  C   UNL     1      12.099  -2.994  -0.077  1.00  0.00           C  
HETATM   88  C   UNL     1      13.460  -3.262   0.514  1.00  0.00           C  
HETATM   89  C   UNL     1      11.990  -2.225  -1.227  1.00  0.00           C  
HETATM   90  C   UNL     1      13.230  -1.664  -1.874  1.00  0.00           C  
HETATM   91  C   UNL     1      10.753  -1.971  -1.782  1.00  0.00           C  
HETATM   92  C   UNL     1      -5.073   1.162   1.842  1.00  0.00           C  
HETATM   93  H   UNL     1      -0.901  -0.689   0.004  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.342  -2.171   0.817  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.660  -2.254  -0.377  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.303  -2.803   2.884  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.194  -4.329   3.099  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.761  -3.774   1.464  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.156  -2.035   4.396  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.722  -1.625   3.656  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.352  -2.733   5.942  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.635  -4.387   5.862  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.044  -4.108   2.078  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.173  -3.549  -0.271  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.993  -4.935   0.830  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.265  -5.717   0.218  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.445  -4.331  -0.883  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.708  -6.619  -2.282  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.291  -7.061  -3.070  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.403  -4.064  -0.448  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.218  -4.022   1.322  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.476  -3.038   0.535  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.938  -2.991  -1.064  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.146  -2.187  -2.638  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.562  -2.860  -2.184  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.430  -1.202   0.470  1.00  0.00           H  
HETATM  117  H   UNL     1      -7.880   0.458   0.139  1.00  0.00           H  
HETATM  118  H   UNL     1     -10.517   0.575   0.313  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.301   0.470  -1.170  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.403   0.758  -2.370  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.482  -1.332  -3.484  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.225  -1.351  -3.841  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.000   1.029  -4.676  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.237   0.869  -4.486  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.814   1.336  -7.077  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.841  -0.070  -7.996  1.00  0.00           H  
HETATM  127  H   UNL     1      -5.021   1.942  -3.290  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.170   2.177  -3.969  1.00  0.00           H  
HETATM  129  H   UNL     1      -1.069   3.498  -3.509  1.00  0.00           H  
HETATM  130  H   UNL     1      -1.128   2.009  -2.536  1.00  0.00           H  
HETATM  131  H   UNL     1      -4.395   4.760  -2.400  1.00  0.00           H  
HETATM  132  H   UNL     1      -3.002   5.093  -3.457  1.00  0.00           H  
HETATM  133  H   UNL     1      -4.148   3.796  -3.875  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.693   4.916  -0.801  1.00  0.00           H  
HETATM  135  H   UNL     1      -0.280   4.349  -0.169  1.00  0.00           H  
HETATM  136  H   UNL     1      -0.282   3.186  -1.516  1.00  0.00           H  
HETATM  137  H   UNL     1      -0.805   5.008  -3.102  1.00  0.00           H  
HETATM  138  H   UNL     1      -0.840   6.177  -1.760  1.00  0.00           H  
HETATM  139  H   UNL     1       1.021   6.939  -3.554  1.00  0.00           H  
HETATM  140  H   UNL     1       2.574   6.476  -3.110  1.00  0.00           H  
HETATM  141  H   UNL     1      -0.562   4.539   1.675  1.00  0.00           H  
HETATM  142  H   UNL     1      -2.198   5.193   1.422  1.00  0.00           H  
HETATM  143  H   UNL     1      -1.765   4.459   2.984  1.00  0.00           H  
HETATM  144  H   UNL     1      -2.740   2.996   4.700  1.00  0.00           H  
HETATM  145  H   UNL     1      -3.290   1.317   4.487  1.00  0.00           H  
HETATM  146  H   UNL     1      -1.984   1.686   5.638  1.00  0.00           H  
HETATM  147  H   UNL     1       0.269   2.414   4.757  1.00  0.00           H  
HETATM  148  H   UNL     1      -0.472   3.684   3.753  1.00  0.00           H  
HETATM  149  H   UNL     1       0.378   2.495   1.709  1.00  0.00           H  
HETATM  150  H   UNL     1       1.213   1.338   2.772  1.00  0.00           H  
HETATM  151  H   UNL     1       3.028   2.605   1.236  1.00  0.00           H  
HETATM  152  H   UNL     1       0.050   0.166   3.201  1.00  0.00           H  
HETATM  153  H   UNL     1      -2.427  -0.512   4.851  1.00  0.00           H  
HETATM  154  H   UNL     1      -0.961  -1.504   4.664  1.00  0.00           H  
HETATM  155  H   UNL     1      -1.958  -0.595   7.281  1.00  0.00           H  
HETATM  156  H   UNL     1      -0.806   0.454   7.909  1.00  0.00           H  
HETATM  157  H   UNL     1       4.669   4.012   3.025  1.00  0.00           H  
HETATM  158  H   UNL     1       3.781   5.219   2.063  1.00  0.00           H  
HETATM  159  H   UNL     1       4.591   4.067  -0.025  1.00  0.00           H  
HETATM  160  H   UNL     1       6.919   4.905   0.149  1.00  0.00           H  
HETATM  161  H   UNL     1       5.772   6.043   0.899  1.00  0.00           H  
HETATM  162  H   UNL     1       6.762   4.973   1.921  1.00  0.00           H  
HETATM  163  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  164  H   UNL     1       5.639   0.723  -2.375  1.00  0.00           H  
HETATM  165  H   UNL     1       7.739   0.355  -3.261  1.00  0.00           H  
HETATM  166  H   UNL     1       9.477  -0.008  -1.813  1.00  0.00           H  
HETATM  167  H   UNL     1       8.193  -1.932  -3.522  1.00  0.00           H  
HETATM  168  H   UNL     1       5.690  -1.823  -0.746  1.00  0.00           H  
HETATM  169  H   UNL     1       3.571  -0.603  -1.354  1.00  0.00           H  
HETATM  170  H   UNL     1       3.953  -0.863  -3.073  1.00  0.00           H  
HETATM  171  H   UNL     1       2.546  -2.460  -2.223  1.00  0.00           H  
HETATM  172  H   UNL     1       6.541  -3.278  -0.469  1.00  0.00           H  
HETATM  173  H   UNL     1      11.084  -4.109   1.418  1.00  0.00           H  
HETATM  174  H   UNL     1      13.871  -4.173   0.081  1.00  0.00           H  
HETATM  175  H   UNL     1      14.122  -2.424   0.295  1.00  0.00           H  
HETATM  176  H   UNL     1      13.369  -3.380   1.594  1.00  0.00           H  
HETATM  177  H   UNL     1      13.612  -2.377  -2.605  1.00  0.00           H  
HETATM  178  H   UNL     1      12.987  -0.727  -2.373  1.00  0.00           H  
HETATM  179  H   UNL     1      13.988  -1.484  -1.111  1.00  0.00           H  
HETATM  180  H   UNL     1      10.673  -1.371  -2.677  1.00  0.00           H  
HETATM  181  H   UNL     1      -5.253   2.225   1.684  1.00  0.00           H  
HETATM  182  H   UNL     1      -6.001   0.610   1.692  1.00  0.00           H  
HETATM  183  H   UNL     1      -4.715   1.001   2.859  1.00  0.00           H  
CONECT    1    2    3    4    5                                       
CONECT    1   92                                                      
CONECT    2    1    6   20   20                                       
CONECT    3    1   23   36   36                                       
CONECT    4    1   38   48   48                                       
CONECT    5    1   51   64   64                                       
CONECT    6    2    7    8   64                                       
CONECT    7    6   93   94   95                                       
CONECT    8    6    9   10   14                                       
CONECT    9    8   96   97   98                                       
CONECT   10    8   11   99  100                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11  101  102                                            
CONECT   14    8   15   20  103                                       
CONECT   15   14   16  104  105                                       
CONECT   16   15   17  106  107                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17  108  109                                            
CONECT   20    2    2   14   21                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21  110  111  112                                       
CONECT   23    3   21   21   24                                       
CONECT   24   23   25   26   30                                       
CONECT   25   24  113  114  115                                       
CONECT   26   24   27  116  117                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27  118  119                                            
CONECT   30   24   31   36  120                                       
CONECT   31   30   32  121  122                                       
CONECT   32   31   33  123  124                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33  125  126                                            
CONECT   36    3    3   30   37                                       
CONECT   37   36   38   38  127                                       
CONECT   38    4   37   37   39                                       
CONECT   39   38   40   41   42                                       
CONECT   40   39  128  129  130                                       
CONECT   41   39  131  132  133                                       
CONECT   42   39   43   48  134                                       
CONECT   43   42   44  135  136                                       
CONECT   44   43   45  137  138                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45  139  140                                            
CONECT   48    4    4   42   49                                       
CONECT   49   48   50   51   51                                       
CONECT   50   49  141  142  143                                       
CONECT   51    5   49   49   52                                       
CONECT   52   51   53   54   59                                       
CONECT   53   52  144  145  146                                       
CONECT   54   52   55  147  148                                       
CONECT   55   54   56  149  150                                       
CONECT   56   55   57   57   58                                       
CONECT   57   56   56                                                 
CONECT   58   56   65  151                                            
CONECT   59   52   60   64  152                                       
CONECT   60   59   61  153  154                                       
CONECT   61   60   62   62   63                                       
CONECT   62   61   61                                                 
CONECT   63   61  155  156                                            
CONECT   64    5    5    6   59                                       
CONECT   65   58   66  157  158                                       
CONECT   66   65   67   68  159                                       
CONECT   67   66  160  161  162                                       
CONECT   68   66   71                                                 
CONECT   69   71   71                                                 
CONECT   70   71  163                                                 
CONECT   71   68   69   69   70                                       
CONECT   71   72                                                      
CONECT   72   71   73                                                 
CONECT   73   72   74   78  164                                       
CONECT   74   73   75   76  165                                       
CONECT   75   74  166                                                 
CONECT   76   74   77   81  167                                       
CONECT   77   76   78                                                 
CONECT   78   73   77   79  168                                       
CONECT   79   78   80  169  170                                       
CONECT   80   79  171                                                 
CONECT   81   76   82   83                                            
CONECT   82   81   85   85   91                                       
CONECT   83   81   84   84  172                                       
CONECT   84   83   83   85                                            
CONECT   85   82   82   84   86                                       
CONECT   86   85   87   87  173                                       
CONECT   87   86   86   88   89                                       
CONECT   88   87  174  175  176                                       
CONECT   89   87   90   91   91                                       
CONECT   90   89  177  178  179                                       
CONECT   91   82   89   89  180                                       
CONECT   92    1  181  182  183                                       
CONECT   93    7                                                      
CONECT   94    7                                                      
CONECT   95    7                                                      
CONECT   96    9                                                      
CONECT   97    9                                                      
CONECT   98    9                                                      
CONECT   99   10                                                      
CONECT  100   10                                                      
CONECT  101   13                                                      
CONECT  102   13                                                      
CONECT  103   14                                                      
CONECT  104   15                                                      
CONECT  105   15                                                      
CONECT  106   16                                                      
CONECT  107   16                                                      
CONECT  108   19                                                      
CONECT  109   19                                                      
CONECT  110   22                                                      
CONECT  111   22                                                      
CONECT  112   22                                                      
CONECT  113   25                                                      
CONECT  114   25                                                      
CONECT  115   25                                                      
CONECT  116   26                                                      
CONECT  117   26                                                      
CONECT  118   29                                                      
CONECT  119   29                                                      
CONECT  120   30                                                      
CONECT  121   31                                                      
CONECT  122   31                                                      
CONECT  123   32                                                      
CONECT  124   32                                                      
CONECT  125   35                                                      
CONECT  126   35                                                      
CONECT  127   37                                                      
CONECT  128   40                                                      
CONECT  129   40                                                      
CONECT  130   40                                                      
CONECT  131   41                                                      
CONECT  132   41                                                      
CONECT  133   41                                                      
CONECT  134   42                                                      
CONECT  135   43                                                      
CONECT  136   43                                                      
CONECT  137   44                                                      
CONECT  138   44                                                      
CONECT  139   47                                                      
CONECT  140   47                                                      
CONECT  141   50                                                      
CONECT  142   50                                                      
CONECT  143   50                                                      
CONECT  144   53                                                      
CONECT  145   53                                                      
CONECT  146   53                                                      
CONECT  147   54                                                      
CONECT  148   54                                                      
CONECT  149   55                                                      
CONECT  150   55                                                      
CONECT  151   58                                                      
CONECT  152   59                                                      
CONECT  153   60                                                      
CONECT  154   60                                                      
CONECT  155   63                                                      
CONECT  156   63                                                      
CONECT  157   65                                                      
CONECT  158   65                                                      
CONECT  159   66                                                      
CONECT  160   67                                                      
CONECT  161   67                                                      
CONECT  162   67                                                      
CONECT  163   70                                                      
CONECT  164   73                                                      
CONECT  165   74                                                      
CONECT  166   75                                                      
CONECT  167   76                                                      
CONECT  168   78                                                      
CONECT  169   79                                                      
CONECT  170   79                                                      
CONECT  171   80                                                      
CONECT  172   83                                                      
CONECT  173   86                                                      
CONECT  174   88                                                      
CONECT  175   88                                                      
CONECT  176   88                                                      
CONECT  177   90                                                      
CONECT  178   90                                                      
CONECT  179   90                                                      
CONECT  180   91                                                      
CONECT  181   92                                                      
CONECT  182   92                                                      
CONECT  183   92                                                      
MASTER        0    0    0    0    0    0    0    0  183    0  183    0
END
