COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -6.923   1.978   0.022  1.00  0.00           P  
HETATM    2 CO   UNL     1       2.867   0.372   0.551  1.00  0.00          Co2+
HETATM    3  C   UNL     1       2.009   1.727  -1.496  1.00  0.00           C  
HETATM    4  C   UNL     1       2.447   2.007  -2.948  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.630   0.396   0.088  1.00  0.00           O  
HETATM    6  C   UNL     1       2.878   0.576  -3.435  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.854   2.760   0.936  1.00  0.00           O  
HETATM    8  C   UNL     1       3.421  -0.023  -2.183  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.809   2.443  -1.379  1.00  0.00           O  
HETATM   10  C   UNL     1       4.618  -0.682  -1.799  1.00  0.00           C  
HETATM   11  O   UNL     1      -8.410   2.271   0.565  1.00  0.00           O  
HETATM   12  C   UNL     1       5.078  -0.819  -0.510  1.00  0.00           C  
HETATM   13  C   UNL     1       6.369  -1.447  -0.037  1.00  0.00           C  
HETATM   14  C   UNL     1       6.042  -1.867   1.424  1.00  0.00           C  
HETATM   15  C   UNL     1       4.621  -1.403   1.607  1.00  0.00           C  
HETATM   16  C   UNL     1       3.616  -1.890   2.476  1.00  0.00           C  
HETATM   17  C   UNL     1       2.337  -1.433   2.555  1.00  0.00           C  
HETATM   18  C   UNL     1       1.149  -1.837   3.384  1.00  0.00           C  
HETATM   19  C   UNL     1       0.330  -0.520   3.518  1.00  0.00           C  
HETATM   20  C   UNL     1       1.062   0.466   2.642  1.00  0.00           C  
HETATM   21  C   UNL     1       1.061   1.829   2.670  1.00  0.00           C  
HETATM   22  C   UNL     1       1.748   2.668   1.748  1.00  0.00           C  
HETATM   23  C   UNL     1       1.617   4.095   1.313  1.00  0.00           C  
HETATM   24  C   UNL     1       1.587   3.949  -0.252  1.00  0.00           C  
HETATM   25  C   UNL     1       2.542   2.750  -0.461  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.955  -3.719  -0.812  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.592   4.596   1.872  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.928  -2.839  -1.464  1.00  0.00           C  
HETATM   29  C   UNL     1       0.490   1.578  -1.394  1.00  0.00           C  
HETATM   30  N   UNL     1       2.699   0.473  -1.215  1.00  0.00           N1+
HETATM   31  N   UNL     1       4.387  -0.556   0.621  1.00  0.00           N1+
HETATM   32  N   UNL     1       1.925  -0.307   1.885  1.00  0.00           N  
HETATM   33  N   UNL     1       2.497   2.100   0.843  1.00  0.00           N1+
HETATM   34  C   UNL     1       1.278   2.539  -3.779  1.00  0.00           C  
HETATM   35  C   UNL     1       3.630   2.977  -2.986  1.00  0.00           C  
HETATM   36  C   UNL     1       4.121   3.114  -4.404  1.00  0.00           C  
HETATM   37  O   UNL     1       3.555   2.527  -5.302  1.00  0.00           O  
HETATM   38  N   UNL     1       5.190   3.889  -4.675  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.917  -4.042   0.500  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.778   4.186   0.997  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.364  -1.408  -1.553  1.00  0.00           C  
HETATM   42  C   UNL     1       1.670  -0.216  -3.942  1.00  0.00           C  
HETATM   43  C   UNL     1       2.142  -1.551  -4.521  1.00  0.00           C  
HETATM   44  C   UNL     1       0.953  -2.330  -5.020  1.00  0.00           C  
HETATM   45  N   UNL     1       1.129  -3.546  -5.575  1.00  0.00           N  
HETATM   46  O   UNL     1      -0.162  -1.864  -4.921  1.00  0.00           O  
HETATM   47  C   UNL     1       5.457  -1.283  -2.897  1.00  0.00           C  
HETATM   48  C   UNL     1       6.718  -2.671  -0.886  1.00  0.00           C  
HETATM   49  C   UNL     1       7.509  -0.426  -0.063  1.00  0.00           C  
HETATM   50  C   UNL     1       8.743  -1.036   0.549  1.00  0.00           C  
HETATM   51  O   UNL     1       8.707  -2.164   0.993  1.00  0.00           O  
HETATM   52  N   UNL     1      -4.918  -4.847   0.735  1.00  0.00           N  
HETATM   53  C   UNL     1      -7.340  -0.561  -0.701  1.00  0.00           C  
HETATM   54  N   UNL     1       9.889  -0.327   0.603  1.00  0.00           N  
HETATM   55  C   UNL     1       6.139  -3.386   1.583  1.00  0.00           C  
HETATM   56  C   UNL     1       6.154  -3.743   3.071  1.00  0.00           C  
HETATM   57  C   UNL     1       6.119  -5.241   3.228  1.00  0.00           C  
HETATM   58  O   UNL     1       6.085  -5.953   2.247  1.00  0.00           O  
HETATM   59  N   UNL     1       6.125  -5.789   4.459  1.00  0.00           N  
HETATM   60  C   UNL     1       1.597  -2.334   4.760  1.00  0.00           C  
HETATM   61  C   UNL     1       0.329  -2.910   2.664  1.00  0.00           C  
HETATM   62  C   UNL     1      -1.100  -0.725   3.013  1.00  0.00           C  
HETATM   63  C   UNL     1      -1.923   0.535   3.286  1.00  0.00           C  
HETATM   64  N   UNL     1      -3.181  -5.825  -0.730  1.00  0.00           N  
HETATM   65  C   UNL     1      -8.003  -1.636   0.197  1.00  0.00           C  
HETATM   66  C   UNL     1      -3.346   0.311   2.843  1.00  0.00           C  
HETATM   67  O   UNL     1      -3.646  -0.709   2.260  1.00  0.00           O  
HETATM   68  N   UNL     1      -4.285   1.245   3.095  1.00  0.00           N  
HETATM   69  C   UNL     1       0.270   2.500   3.763  1.00  0.00           C  
HETATM   70  C   UNL     1       2.825   4.919   1.763  1.00  0.00           C  
HETATM   71  C   UNL     1       0.314   4.708   1.831  1.00  0.00           C  
HETATM   72  C   UNL     1      -0.876   4.006   1.175  1.00  0.00           C  
HETATM   73  C   UNL     1      -2.158   4.538   1.761  1.00  0.00           C  
HETATM   74  O   UNL     1      -2.124   5.299   2.705  1.00  0.00           O  
HETATM   75  N   UNL     1      -3.343   4.170   1.235  1.00  0.00           N  
HETATM   76  C   UNL     1      -2.750  -5.870  -1.971  1.00  0.00           C  
HETATM   77  C   UNL     1      -9.379  -1.166   0.674  1.00  0.00           C  
HETATM   78  C   UNL     1       2.128   5.208  -0.932  1.00  0.00           C  
HETATM   79  C   UNL     1       1.164   6.347  -0.720  1.00  0.00           C  
HETATM   80  N   UNL     1       1.535   7.608  -1.019  1.00  0.00           N  
HETATM   81  O   UNL     1       0.055   6.129  -0.282  1.00  0.00           O  
HETATM   82  N   UNL     1      -3.338  -5.208  -2.952  1.00  0.00           N  
HETATM   83  O   UNL     1      -8.131  -2.776  -0.680  1.00  0.00           O  
HETATM   84  N   UNL     1      -5.027  -3.771  -3.761  1.00  0.00           N  
HETATM   85  C   UNL     1      -4.417  -4.463  -2.728  1.00  0.00           C  
HETATM   86  O   UNL     1      -5.045  -1.355  -1.004  1.00  0.00           O  
HETATM   87  C   UNL     1      -4.908  -4.377  -1.423  1.00  0.00           C  
HETATM   88  O   UNL     1      -9.917  -2.120   1.591  1.00  0.00           O  
HETATM   89  C   UNL     1      -4.252  -5.092  -0.408  1.00  0.00           C  
HETATM   90  H   UNL     1       3.649   0.641  -4.203  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.558   1.991   1.479  1.00  0.00           H  
HETATM   92  H   UNL     1       6.705  -1.363   2.127  1.00  0.00           H  
HETATM   93  H   UNL     1       0.324  -0.178   4.553  1.00  0.00           H  
HETATM   94  H   UNL     1       0.582   3.717  -0.604  1.00  0.00           H  
HETATM   95  H   UNL     1       3.547   3.084  -0.717  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.587   5.680   1.992  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.681   4.123   2.850  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.153  -3.212  -2.463  1.00  0.00           H  
HETATM   99  H   UNL     1       0.160   0.767  -2.043  1.00  0.00           H  
HETATM  100  H   UNL     1       0.215   1.354  -0.363  1.00  0.00           H  
HETATM  101  H   UNL     1       0.012   2.508  -1.703  1.00  0.00           H  
HETATM  102  H   UNL     1       0.987   3.522  -3.409  1.00  0.00           H  
HETATM  103  H   UNL     1       1.582   2.620  -4.823  1.00  0.00           H  
HETATM  104  H   UNL     1       0.433   1.855  -3.698  1.00  0.00           H  
HETATM  105  H   UNL     1       3.312   3.951  -2.616  1.00  0.00           H  
HETATM  106  H   UNL     1       4.434   2.594  -2.359  1.00  0.00           H  
HETATM  107  H   UNL     1       5.643   4.359  -3.957  1.00  0.00           H  
HETATM  108  H   UNL     1       5.506   3.977  -5.588  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.613  -3.685   1.245  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.642   4.586  -0.009  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.699   4.582   1.424  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.361  -1.062  -2.587  1.00  0.00           H  
HETATM  113  H   UNL     1       0.984  -0.401  -3.115  1.00  0.00           H  
HETATM  114  H   UNL     1       1.159   0.356  -4.716  1.00  0.00           H  
HETATM  115  H   UNL     1       2.828  -1.366  -5.348  1.00  0.00           H  
HETATM  116  H   UNL     1       2.653  -2.123  -3.747  1.00  0.00           H  
HETATM  117  H   UNL     1       2.021  -3.919  -5.654  1.00  0.00           H  
HETATM  118  H   UNL     1       0.363  -4.048  -5.896  1.00  0.00           H  
HETATM  119  H   UNL     1       5.020  -1.037  -3.864  1.00  0.00           H  
HETATM  120  H   UNL     1       6.469  -0.880  -2.842  1.00  0.00           H  
HETATM  121  H   UNL     1       5.491  -2.365  -2.778  1.00  0.00           H  
HETATM  122  H   UNL     1       7.019  -2.348  -1.883  1.00  0.00           H  
HETATM  123  H   UNL     1       7.537  -3.216  -0.418  1.00  0.00           H  
HETATM  124  H   UNL     1       5.846  -3.320  -0.963  1.00  0.00           H  
HETATM  125  H   UNL     1       7.717  -0.141  -1.094  1.00  0.00           H  
HETATM  126  H   UNL     1       7.219   0.457   0.506  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.081  -0.069  -1.332  1.00  0.00           H  
HETATM  128  H   UNL     1       9.918   0.575   0.248  1.00  0.00           H  
HETATM  129  H   UNL     1      10.683  -0.719   0.997  1.00  0.00           H  
HETATM  130  H   UNL     1       5.280  -3.857   1.105  1.00  0.00           H  
HETATM  131  H   UNL     1       7.056  -3.743   1.115  1.00  0.00           H  
HETATM  132  H   UNL     1       7.061  -3.350   3.530  1.00  0.00           H  
HETATM  133  H   UNL     1       5.282  -3.306   3.558  1.00  0.00           H  
HETATM  134  H   UNL     1       6.152  -5.220   5.244  1.00  0.00           H  
HETATM  135  H   UNL     1       6.102  -6.754   4.561  1.00  0.00           H  
HETATM  136  H   UNL     1       2.157  -1.547   5.266  1.00  0.00           H  
HETATM  137  H   UNL     1       0.722  -2.597   5.354  1.00  0.00           H  
HETATM  138  H   UNL     1       2.232  -3.212   4.640  1.00  0.00           H  
HETATM  139  H   UNL     1       0.945  -3.796   2.512  1.00  0.00           H  
HETATM  140  H   UNL     1      -0.540  -3.170   3.268  1.00  0.00           H  
HETATM  141  H   UNL     1      -0.001  -2.527   1.698  1.00  0.00           H  
HETATM  142  H   UNL     1      -1.082  -0.923   1.941  1.00  0.00           H  
HETATM  143  H   UNL     1      -1.550  -1.572   3.532  1.00  0.00           H  
HETATM  144  H   UNL     1      -1.905   0.757   4.352  1.00  0.00           H  
HETATM  145  H   UNL     1      -1.498   1.373   2.733  1.00  0.00           H  
HETATM  146  H   UNL     1      -7.364  -1.873   1.048  1.00  0.00           H  
HETATM  147  H   UNL     1      -4.061   2.028   3.622  1.00  0.00           H  
HETATM  148  H   UNL     1      -5.184   1.134   2.748  1.00  0.00           H  
HETATM  149  H   UNL     1      -0.124   1.744   4.443  1.00  0.00           H  
HETATM  150  H   UNL     1       0.918   3.181   4.314  1.00  0.00           H  
HETATM  151  H   UNL     1      -0.555   3.059   3.324  1.00  0.00           H  
HETATM  152  H   UNL     1       3.735   4.487   1.347  1.00  0.00           H  
HETATM  153  H   UNL     1       2.716   5.945   1.412  1.00  0.00           H  
HETATM  154  H   UNL     1       2.884   4.911   2.852  1.00  0.00           H  
HETATM  155  H   UNL     1       0.259   4.583   2.912  1.00  0.00           H  
HETATM  156  H   UNL     1       0.290   5.770   1.586  1.00  0.00           H  
HETATM  157  H   UNL     1      -0.862   4.193   0.101  1.00  0.00           H  
HETATM  158  H   UNL     1      -0.811   2.933   1.358  1.00  0.00           H  
HETATM  159  H   UNL     1      -3.370   3.622   0.435  1.00  0.00           H  
HETATM  160  H   UNL     1      -1.883  -6.472  -2.198  1.00  0.00           H  
HETATM  161  H   UNL     1      -9.281  -0.200   1.170  1.00  0.00           H  
HETATM  162  H   UNL     1     -10.046  -1.068  -0.182  1.00  0.00           H  
HETATM  163  H   UNL     1       3.096   5.466  -0.502  1.00  0.00           H  
HETATM  164  H   UNL     1       2.243   5.023  -2.000  1.00  0.00           H  
HETATM  165  H   UNL     1       2.422   7.783  -1.370  1.00  0.00           H  
HETATM  166  H   UNL     1       0.915   8.341  -0.883  1.00  0.00           H  
HETATM  167  H   UNL     1      -4.668  -3.826  -4.661  1.00  0.00           H  
HETATM  168  H   UNL     1      -5.814  -3.231  -3.586  1.00  0.00           H  
HETATM  169  H   UNL     1      -4.405  -1.914  -1.464  1.00  0.00           H  
HETATM  170  H   UNL     1     -10.790  -1.886   1.935  1.00  0.00           H  
HETATM  171  H   UNL     1       3.891  -2.697   3.139  1.00  0.00           H  
CONECT    1    5    7    9    9                                       
CONECT    1   11                                                      
CONECT    2   30   31   32   33                                       
CONECT    3    4   25   29   30                                       
CONECT    4    3    6   34   35                                       
CONECT    5    1   53                                                 
CONECT    6    4    8   42   90                                       
CONECT    7    1   40                                                 
CONECT    8    6   10   30   30                                       
CONECT    9    1    1                                                 
CONECT   10    8   12   12   47                                       
CONECT   11    1   91                                                 
CONECT   12   10   10   13   31                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   55   92                                       
CONECT   15   14   16   31   31                                       
CONECT   16   15   17   17  171                                       
CONECT   17   16   16   18   32                                       
CONECT   18   17   19   60   61                                       
CONECT   19   18   20   62   93                                       
CONECT   20   19   21   21   32                                       
CONECT   21   20   20   22   69                                       
CONECT   22   21   23   33   33                                       
CONECT   23   22   24   70   71                                       
CONECT   24   23   25   78   94                                       
CONECT   25    3   24   33   95                                       
CONECT   26   28   39   87                                            
CONECT   27   40   75   96   97                                       
CONECT   28   26   41   83   98                                       
CONECT   29    3   99  100  101                                       
CONECT   30    2    3    8    8                                       
CONECT   31    2   12   15   15                                       
CONECT   32    2   17   20                                            
CONECT   33    2   22   22   25                                       
CONECT   34    4  102  103  104                                       
CONECT   35    4   36  105  106                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36  107  108                                            
CONECT   39   26   52   52  109                                       
CONECT   40    7   27  110  111                                       
CONECT   41   28   53   86  112                                       
CONECT   42    6   43  113  114                                       
CONECT   43   42   44  115  116                                       
CONECT   44   43   45   46   46                                       
CONECT   45   44  117  118                                            
CONECT   46   44   44                                                 
CONECT   47   10  119  120  121                                       
CONECT   48   13  122  123  124                                       
CONECT   49   13   50  125  126                                       
CONECT   50   49   51   51   54                                       
CONECT   51   50   50                                                 
CONECT   52   39   39   89                                            
CONECT   53    5   41   65  127                                       
CONECT   54   50  128  129                                            
CONECT   55   14   56  130  131                                       
CONECT   56   55   57  132  133                                       
CONECT   57   56   58   58   59                                       
CONECT   58   57   57                                                 
CONECT   59   57  134  135                                            
CONECT   60   18  136  137  138                                       
CONECT   61   18  139  140  141                                       
CONECT   62   19   63  142  143                                       
CONECT   63   62   66  144  145                                       
CONECT   64   76   76   89                                            
CONECT   65   53   77   83  146                                       
CONECT   66   63   67   67   68                                       
CONECT   67   66   66                                                 
CONECT   68   66  147  148                                            
CONECT   69   21  149  150  151                                       
CONECT   70   23  152  153  154                                       
CONECT   71   23   72  155  156                                       
CONECT   72   71   73  157  158                                       
CONECT   73   72   74   74   75                                       
CONECT   74   73   73                                                 
CONECT   75   27   73  159                                            
CONECT   76   64   64   82  160                                       
CONECT   77   65   88  161  162                                       
CONECT   78   24   79  163  164                                       
CONECT   79   78   80   81   81                                       
CONECT   80   79  165  166                                            
CONECT   81   79   79                                                 
CONECT   82   76   85   85                                            
CONECT   83   28   65                                                 
CONECT   84   85  167  168                                            
CONECT   85   82   82   84   87                                       
CONECT   86   41  169                                                 
CONECT   87   26   85   89   89                                       
CONECT   88   77  170                                                 
CONECT   89   52   64   87   87                                       
CONECT   90    6                                                      
CONECT   91   11                                                      
CONECT   92   14                                                      
CONECT   93   19                                                      
CONECT   94   24                                                      
CONECT   95   25                                                      
CONECT   96   27                                                      
CONECT   97   27                                                      
CONECT   98   28                                                      
CONECT   99   29                                                      
CONECT  100   29                                                      
CONECT  101   29                                                      
CONECT  102   34                                                      
CONECT  103   34                                                      
CONECT  104   34                                                      
CONECT  105   35                                                      
CONECT  106   35                                                      
CONECT  107   38                                                      
CONECT  108   38                                                      
CONECT  109   39                                                      
CONECT  110   40                                                      
CONECT  111   40                                                      
CONECT  112   41                                                      
CONECT  113   42                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   43                                                      
CONECT  117   45                                                      
CONECT  118   45                                                      
CONECT  119   47                                                      
CONECT  120   47                                                      
CONECT  121   47                                                      
CONECT  122   48                                                      
CONECT  123   48                                                      
CONECT  124   48                                                      
CONECT  125   49                                                      
CONECT  126   49                                                      
CONECT  127   53                                                      
CONECT  128   54                                                      
CONECT  129   54                                                      
CONECT  130   55                                                      
CONECT  131   55                                                      
CONECT  132   56                                                      
CONECT  133   56                                                      
CONECT  134   59                                                      
CONECT  135   59                                                      
CONECT  136   60                                                      
CONECT  137   60                                                      
CONECT  138   60                                                      
CONECT  139   61                                                      
CONECT  140   61                                                      
CONECT  141   61                                                      
CONECT  142   62                                                      
CONECT  143   62                                                      
CONECT  144   63                                                      
CONECT  145   63                                                      
CONECT  146   65                                                      
CONECT  147   68                                                      
CONECT  148   68                                                      
CONECT  149   69                                                      
CONECT  150   69                                                      
CONECT  151   69                                                      
CONECT  152   70                                                      
CONECT  153   70                                                      
CONECT  154   70                                                      
CONECT  155   71                                                      
CONECT  156   71                                                      
CONECT  157   72                                                      
CONECT  158   72                                                      
CONECT  159   75                                                      
CONECT  160   76                                                      
CONECT  161   77                                                      
CONECT  162   77                                                      
CONECT  163   78                                                      
CONECT  164   78                                                      
CONECT  165   80                                                      
CONECT  166   80                                                      
CONECT  167   84                                                      
CONECT  168   84                                                      
CONECT  169   86                                                      
CONECT  170   88                                                      
CONECT  171   16                                                      
MASTER        0    0    0    0    0    0    0    0  171    0  171    0
END
