COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CO   UNL     1       2.972   0.085   0.631  1.00  0.00          Co  
HETATM    2  N   UNL     1       3.095   0.855  -0.974  1.00  0.00           N  
HETATM    3  N   UNL     1       4.460  -0.883   0.551  1.00  0.00           N1+
HETATM    4  N   UNL     1       1.789  -1.007   1.380  1.00  0.00           N1+
HETATM    5  N   UNL     1       2.517   1.585   1.485  1.00  0.00           N1+
HETATM    6  C   UNL     1       2.445   2.152  -0.871  1.00  0.00           C  
HETATM    7  C   UNL     1       0.939   2.053  -1.123  1.00  0.00           C  
HETATM    8  C   UNL     1       3.156   2.955  -1.983  1.00  0.00           C  
HETATM    9  C   UNL     1       2.159   3.841  -2.733  1.00  0.00           C  
HETATM   10  C   UNL     1       4.295   3.794  -1.400  1.00  0.00           C  
HETATM   11  C   UNL     1       5.055   4.457  -2.521  1.00  0.00           C  
HETATM   12  O   UNL     1       4.718   4.276  -3.672  1.00  0.00           O  
HETATM   13  N   UNL     1       6.108   5.251  -2.244  1.00  0.00           N  
HETATM   14  C   UNL     1       3.717   1.834  -2.922  1.00  0.00           C  
HETATM   15  C   UNL     1       2.664   1.408  -3.947  1.00  0.00           C  
HETATM   16  C   UNL     1       3.279   0.405  -4.925  1.00  0.00           C  
HETATM   17  C   UNL     1       2.241  -0.014  -5.934  1.00  0.00           C  
HETATM   18  O   UNL     1       1.120   0.443  -5.876  1.00  0.00           O  
HETATM   19  N   UNL     1       2.560  -0.898  -6.900  1.00  0.00           N  
HETATM   20  C   UNL     1       4.012   0.721  -1.974  1.00  0.00           C  
HETATM   21  C   UNL     1       5.079  -0.091  -1.701  1.00  0.00           C  
HETATM   22  C   UNL     1       6.109  -0.268  -2.786  1.00  0.00           C  
HETATM   23  C   UNL     1       5.296  -0.777  -0.482  1.00  0.00           C  
HETATM   24  C   UNL     1       6.503  -1.611  -0.105  1.00  0.00           C  
HETATM   25  C   UNL     1       6.949  -2.480  -1.283  1.00  0.00           C  
HETATM   26  C   UNL     1       7.651  -0.716   0.367  1.00  0.00           C  
HETATM   27  C   UNL     1       8.782  -1.574   0.872  1.00  0.00           C  
HETATM   28  O   UNL     1       8.670  -2.782   0.882  1.00  0.00           O  
HETATM   29  N   UNL     1       9.918  -1.000   1.314  1.00  0.00           N  
HETATM   30  C   UNL     1       5.977  -2.495   1.060  1.00  0.00           C  
HETATM   31  C   UNL     1       6.073  -3.979   0.701  1.00  0.00           C  
HETATM   32  C   UNL     1       5.769  -4.824   1.940  1.00  0.00           C  
HETATM   33  C   UNL     1       5.914  -6.285   1.599  1.00  0.00           C  
HETATM   34  O   UNL     1       6.229  -6.617   0.477  1.00  0.00           O  
HETATM   35  N   UNL     1       5.693  -7.221   2.543  1.00  0.00           N  
HETATM   36  C   UNL     1       4.539  -2.065   1.175  1.00  0.00           C  
HETATM   37  C   UNL     1       3.426  -2.746   1.640  1.00  0.00           C  
HETATM   38  C   UNL     1       2.114  -2.254   1.693  1.00  0.00           C  
HETATM   39  C   UNL     1       0.856  -2.906   2.214  1.00  0.00           C  
HETATM   40  C   UNL     1       1.105  -3.548   3.580  1.00  0.00           C  
HETATM   41  C   UNL     1       0.332  -3.943   1.218  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.132  -1.708   2.334  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.193  -1.761   1.233  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.223  -0.654   1.462  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.266  -0.705   0.376  1.00  0.00           C  
HETATM   46  O   UNL     1      -3.251  -1.605  -0.437  1.00  0.00           O  
HETATM   47  N   UNL     1      -4.215   0.250   0.307  1.00  0.00           N  
HETATM   48  C   UNL     1       0.785  -0.523   2.143  1.00  0.00           C  
HETATM   49  C   UNL     1       0.762   0.715   2.744  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.223   0.928   3.864  1.00  0.00           C  
HETATM   51  C   UNL     1       1.597   1.805   2.387  1.00  0.00           C  
HETATM   52  C   UNL     1       1.500   3.294   2.511  1.00  0.00           C  
HETATM   53  C   UNL     1       2.580   3.838   3.448  1.00  0.00           C  
HETATM   54  C   UNL     1       0.107   3.715   2.981  1.00  0.00           C  
HETATM   55  C   UNL     1      -0.924   3.355   1.909  1.00  0.00           C  
HETATM   56  C   UNL     1      -2.290   3.811   2.352  1.00  0.00           C  
HETATM   57  O   UNL     1      -2.445   4.271   3.464  1.00  0.00           O  
HETATM   58  N   UNL     1      -3.340   3.707   1.513  1.00  0.00           N  
HETATM   59  C   UNL     1       1.757   3.751   1.030  1.00  0.00           C  
HETATM   60  C   UNL     1       2.377   5.149   0.985  1.00  0.00           C  
HETATM   61  C   UNL     1       1.353   6.166   1.416  1.00  0.00           C  
HETATM   62  O   UNL     1       0.190   5.843   1.538  1.00  0.00           O  
HETATM   63  N   UNL     1       1.729   7.436   1.667  1.00  0.00           N  
HETATM   64  C   UNL     1       2.767   2.679   0.555  1.00  0.00           C  
HETATM   65  C   UNL     1      -4.643   4.253   1.900  1.00  0.00           C  
HETATM   66  C   UNL     1      -5.631   4.084   0.744  1.00  0.00           C  
HETATM   67  O   UNL     1      -5.900   2.694   0.547  1.00  0.00           O  
HETATM   68  O   UNL     1      -6.584   2.544  -1.987  1.00  0.00           O  
HETATM   69  O   UNL     1      -8.320   2.771  -0.169  1.00  0.00           O  
HETATM   70  P   UNL     1      -7.012   2.154  -0.485  1.00  0.00           P  
HETATM   71  O   UNL     1      -7.129   0.553  -0.358  1.00  0.00           O  
HETATM   72  C   UNL     1      -8.103  -0.214  -1.068  1.00  0.00           C  
HETATM   73  C   UNL     1      -7.413  -1.245  -1.990  1.00  0.00           C  
HETATM   74  O   UNL     1      -5.992  -1.145  -1.877  1.00  0.00           O  
HETATM   75  C   UNL     1      -7.904  -2.610  -1.460  1.00  0.00           C  
HETATM   76  O   UNL     1      -9.152  -2.320  -0.793  1.00  0.00           O  
HETATM   77  C   UNL     1      -8.929  -1.079  -0.090  1.00  0.00           C  
HETATM   78  C   UNL     1     -10.262  -0.399   0.227  1.00  0.00           C  
HETATM   79  O   UNL     1     -10.959  -1.155   1.219  1.00  0.00           O  
HETATM   80  N   UNL     1      -6.936  -3.166  -0.510  1.00  0.00           N  
HETATM   81  C   UNL     1      -5.755  -3.807  -0.827  1.00  0.00           C  
HETATM   82  C   UNL     1      -7.032  -3.141   0.848  1.00  0.00           C  
HETATM   83  N   UNL     1      -5.998  -3.724   1.379  1.00  0.00           N  
HETATM   84  C   UNL     1      -5.166  -4.161   0.398  1.00  0.00           C  
HETATM   85  C   UNL     1      -3.940  -4.833   0.405  1.00  0.00           C  
HETATM   86  C   UNL     1      -3.325  -5.141  -0.774  1.00  0.00           C  
HETATM   87  C   UNL     1      -3.907  -4.791  -1.990  1.00  0.00           C  
HETATM   88  C   UNL     1      -5.119  -4.127  -2.019  1.00  0.00           C  
HETATM   89  O   UNL     1      -3.280  -5.105  -3.155  1.00  0.00           O  
HETATM   90  H   UNL     1       0.489   1.396  -0.379  1.00  0.00           H  
HETATM   91  H   UNL     1       0.493   3.045  -1.050  1.00  0.00           H  
HETATM   92  H   UNL     1       0.763   1.648  -2.119  1.00  0.00           H  
HETATM   93  H   UNL     1       1.696   4.539  -2.035  1.00  0.00           H  
HETATM   94  H   UNL     1       2.681   4.397  -3.511  1.00  0.00           H  
HETATM   95  H   UNL     1       1.389   3.217  -3.187  1.00  0.00           H  
HETATM   96  H   UNL     1       3.884   4.557  -0.739  1.00  0.00           H  
HETATM   97  H   UNL     1       4.969   3.150  -0.836  1.00  0.00           H  
HETATM   98  H   UNL     1       6.377   5.395  -1.323  1.00  0.00           H  
HETATM   99  H   UNL     1       6.597   5.677  -2.965  1.00  0.00           H  
HETATM  100  H   UNL     1       4.626   2.169  -3.423  1.00  0.00           H  
HETATM  101  H   UNL     1       1.823   0.943  -3.431  1.00  0.00           H  
HETATM  102  H   UNL     1       2.315   2.283  -4.495  1.00  0.00           H  
HETATM  103  H   UNL     1       4.120   0.870  -5.440  1.00  0.00           H  
HETATM  104  H   UNL     1       3.628  -0.470  -4.377  1.00  0.00           H  
HETATM  105  H   UNL     1       3.457  -1.264  -6.946  1.00  0.00           H  
HETATM  106  H   UNL     1       1.892  -1.168  -7.549  1.00  0.00           H  
HETATM  107  H   UNL     1       5.873   0.391  -3.622  1.00  0.00           H  
HETATM  108  H   UNL     1       7.095  -0.021  -2.395  1.00  0.00           H  
HETATM  109  H   UNL     1       6.102  -1.304  -3.128  1.00  0.00           H  
HETATM  110  H   UNL     1       7.398  -1.849  -2.050  1.00  0.00           H  
HETATM  111  H   UNL     1       7.680  -3.211  -0.940  1.00  0.00           H  
HETATM  112  H   UNL     1       6.085  -2.998  -1.700  1.00  0.00           H  
HETATM  113  H   UNL     1       8.002  -0.105  -0.465  1.00  0.00           H  
HETATM  114  H   UNL     1       7.300  -0.068   1.170  1.00  0.00           H  
HETATM  115  H   UNL     1      10.009  -0.034   1.307  1.00  0.00           H  
HETATM  116  H   UNL     1      10.646  -1.553   1.639  1.00  0.00           H  
HETATM  117  H   UNL     1       6.521  -2.285   1.980  1.00  0.00           H  
HETATM  118  H   UNL     1       5.352  -4.211  -0.083  1.00  0.00           H  
HETATM  119  H   UNL     1       7.080  -4.203   0.347  1.00  0.00           H  
HETATM  120  H   UNL     1       6.466  -4.565   2.736  1.00  0.00           H  
HETATM  121  H   UNL     1       4.749  -4.627   2.272  1.00  0.00           H  
HETATM  122  H   UNL     1       5.440  -6.955   3.441  1.00  0.00           H  
HETATM  123  H   UNL     1       5.786  -8.162   2.324  1.00  0.00           H  
HETATM  124  H   UNL     1       3.583  -3.754   1.995  1.00  0.00           H  
HETATM  125  H   UNL     1       1.833  -4.353   3.477  1.00  0.00           H  
HETATM  126  H   UNL     1       1.489  -2.797   4.270  1.00  0.00           H  
HETATM  127  H   UNL     1       0.169  -3.953   3.967  1.00  0.00           H  
HETATM  128  H   UNL     1       1.078  -4.725   1.081  1.00  0.00           H  
HETATM  129  H   UNL     1      -0.589  -4.382   1.602  1.00  0.00           H  
HETATM  130  H   UNL     1       0.133  -3.460   0.261  1.00  0.00           H  
HETATM  131  H   UNL     1      -0.598  -1.685   3.320  1.00  0.00           H  
HETATM  132  H   UNL     1      -0.716  -1.619   0.263  1.00  0.00           H  
HETATM  133  H   UNL     1      -1.691  -2.731   1.254  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.701  -0.797   2.432  1.00  0.00           H  
HETATM  135  H   UNL     1      -1.725   0.315   1.443  1.00  0.00           H  
HETATM  136  H   UNL     1      -4.272   0.928   0.999  1.00  0.00           H  
HETATM  137  H   UNL     1      -4.840   0.260  -0.434  1.00  0.00           H  
HETATM  138  H   UNL     1      -0.727  -0.012   4.089  1.00  0.00           H  
HETATM  139  H   UNL     1       0.306   1.278   4.751  1.00  0.00           H  
HETATM  140  H   UNL     1      -0.960   1.673   3.563  1.00  0.00           H  
HETATM  141  H   UNL     1       3.564   3.561   3.069  1.00  0.00           H  
HETATM  142  H   UNL     1       2.503   4.924   3.500  1.00  0.00           H  
HETATM  143  H   UNL     1       2.442   3.416   4.444  1.00  0.00           H  
HETATM  144  H   UNL     1      -0.137   3.197   3.908  1.00  0.00           H  
HETATM  145  H   UNL     1       0.091   4.792   3.152  1.00  0.00           H  
HETATM  146  H   UNL     1      -0.662   3.848   0.973  1.00  0.00           H  
HETATM  147  H   UNL     1      -0.932   2.275   1.761  1.00  0.00           H  
HETATM  148  H   UNL     1      -3.233   3.272   0.653  1.00  0.00           H  
HETATM  149  H   UNL     1       0.839   3.712   0.443  1.00  0.00           H  
HETATM  150  H   UNL     1       3.234   5.188   1.658  1.00  0.00           H  
HETATM  151  H   UNL     1       2.703   5.369  -0.031  1.00  0.00           H  
HETATM  152  H   UNL     1       2.658   7.695   1.570  1.00  0.00           H  
HETATM  153  H   UNL     1       1.069   8.091   1.945  1.00  0.00           H  
HETATM  154  H   UNL     1       3.793   3.039   0.630  1.00  0.00           H  
HETATM  155  H   UNL     1      -5.015   3.720   2.776  1.00  0.00           H  
HETATM  156  H   UNL     1      -4.538   5.312   2.136  1.00  0.00           H  
HETATM  157  H   UNL     1      -6.559   4.604   0.980  1.00  0.00           H  
HETATM  158  H   UNL     1      -5.201   4.503  -0.166  1.00  0.00           H  
HETATM  159  H   UNL     1      -5.702   2.237  -2.237  1.00  0.00           H  
HETATM  160  H   UNL     1      -8.755   0.440  -1.647  1.00  0.00           H  
HETATM  161  H   UNL     1      -7.726  -1.102  -3.024  1.00  0.00           H  
HETATM  162  H   UNL     1      -5.509  -1.769  -2.435  1.00  0.00           H  
HETATM  163  H   UNL     1      -8.064  -3.303  -2.286  1.00  0.00           H  
HETATM  164  H   UNL     1      -8.366  -1.258   0.826  1.00  0.00           H  
HETATM  165  H   UNL     1     -10.077   0.608   0.600  1.00  0.00           H  
HETATM  166  H   UNL     1     -10.867  -0.345  -0.679  1.00  0.00           H  
HETATM  167  H   UNL     1     -11.815  -0.782   1.469  1.00  0.00           H  
HETATM  168  H   UNL     1      -7.848  -2.701   1.402  1.00  0.00           H  
HETATM  169  H   UNL     1      -3.480  -5.109   1.342  1.00  0.00           H  
HETATM  170  H   UNL     1      -2.378  -5.661  -0.764  1.00  0.00           H  
HETATM  171  H   UNL     1      -5.568  -3.857  -2.963  1.00  0.00           H  
HETATM  172  H   UNL     1      -3.523  -5.970  -3.512  1.00  0.00           H  
CONECT    1    4    5    3    2                                       
CONECT    2    1    6   20                                            
CONECT    3    1   36   23   23                                       
CONECT    4   48   38   38    1                                       
CONECT    5   51   51    1   64                                       
CONECT    6   64    2    8    7                                       
CONECT    7    6   90   91   92                                       
CONECT    8   10    6   14    9                                       
CONECT    9    8   93   94   95                                       
CONECT   10   11    8   96   97                                       
CONECT   11   13   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   11   98   99                                            
CONECT   14   20    8   15  100                                       
CONECT   15   14   16  101  102                                       
CONECT   16   15   17  103  104                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17  105  106                                            
CONECT   20    2   21   21   14                                       
CONECT   21   23   20   20   22                                       
CONECT   22   21  107  108  109                                       
CONECT   23    3    3   24   21                                       
CONECT   24   26   30   23   25                                       
CONECT   25   24  110  111  112                                       
CONECT   26   27   24  113  114                                       
CONECT   27   29   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   27  115  116                                            
CONECT   30   36   24   31  117                                       
CONECT   31   30   32  118  119                                       
CONECT   32   31   33  120  121                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33  122  123                                            
CONECT   36   37   37    3   30                                       
CONECT   37   38   36   36  124                                       
CONECT   38   39    4    4   37                                       
CONECT   39   40   42   41   38                                       
CONECT   40   39  125  126  127                                       
CONECT   41   39  128  129  130                                       
CONECT   42   43   39   48  131                                       
CONECT   43   42   44  132  133                                       
CONECT   44   43   45  134  135                                       
CONECT   45   46   46   44   47                                       
CONECT   46   45   45                                                 
CONECT   47   45  136  137                                            
CONECT   48   42   49   49    4                                       
CONECT   49   50   48   48   51                                       
CONECT   50   49  138  139  140                                       
CONECT   51   49   52    5    5                                       
CONECT   52   53   51   54   59                                       
CONECT   53   52  141  142  143                                       
CONECT   54   52   55  144  145                                       
CONECT   55   54   56  146  147                                       
CONECT   56   57   57   55   58                                       
CONECT   57   56   56                                                 
CONECT   58   56   65  148                                            
CONECT   59   52   60   64  149                                       
CONECT   60   59   61  150  151                                       
CONECT   61   63   60   62   62                                       
CONECT   62   61   61                                                 
CONECT   63   61  152  153                                            
CONECT   64    5   59    6  154                                       
CONECT   65   58   66  155  156                                       
CONECT   66   65   67  157  158                                       
CONECT   67   66   70                                                 
CONECT   68   70  159                                                 
CONECT   69   70   70                                                 
CONECT   70   67   69   69   68                                       
CONECT   70   71                                                      
CONECT   71   70   72                                                 
CONECT   72   77   71   73  160                                       
CONECT   73   72   75   74  161                                       
CONECT   74   73  162                                                 
CONECT   75   76   73   80  163                                       
CONECT   76   77   75                                                 
CONECT   77   78   72   76  164                                       
CONECT   78   79   77  165  166                                       
CONECT   79   78  167                                                 
CONECT   80   75   82   81                                            
CONECT   81   80   84   84   88                                       
CONECT   82   80   83   83  168                                       
CONECT   83   82   82   84                                            
CONECT   84   83   81   81   85                                       
CONECT   85   84   86   86  169                                       
CONECT   86   85   85   87  170                                       
CONECT   87   88   88   86   89                                       
CONECT   88   81   87   87  171                                       
CONECT   89   87  172                                                 
CONECT   90    7                                                      
CONECT   91    7                                                      
CONECT   92    7                                                      
CONECT   93    9                                                      
CONECT   94    9                                                      
CONECT   95    9                                                      
CONECT   96   10                                                      
CONECT   97   10                                                      
CONECT   98   13                                                      
CONECT   99   13                                                      
CONECT  100   14                                                      
CONECT  101   15                                                      
CONECT  102   15                                                      
CONECT  103   16                                                      
CONECT  104   16                                                      
CONECT  105   19                                                      
CONECT  106   19                                                      
CONECT  107   22                                                      
CONECT  108   22                                                      
CONECT  109   22                                                      
CONECT  110   25                                                      
CONECT  111   25                                                      
CONECT  112   25                                                      
CONECT  113   26                                                      
CONECT  114   26                                                      
CONECT  115   29                                                      
CONECT  116   29                                                      
CONECT  117   30                                                      
CONECT  118   31                                                      
CONECT  119   31                                                      
CONECT  120   32                                                      
CONECT  121   32                                                      
CONECT  122   35                                                      
CONECT  123   35                                                      
CONECT  124   37                                                      
CONECT  125   40                                                      
CONECT  126   40                                                      
CONECT  127   40                                                      
CONECT  128   41                                                      
CONECT  129   41                                                      
CONECT  130   41                                                      
CONECT  131   42                                                      
CONECT  132   43                                                      
CONECT  133   43                                                      
CONECT  134   44                                                      
CONECT  135   44                                                      
CONECT  136   47                                                      
CONECT  137   47                                                      
CONECT  138   50                                                      
CONECT  139   50                                                      
CONECT  140   50                                                      
CONECT  141   53                                                      
CONECT  142   53                                                      
CONECT  143   53                                                      
CONECT  144   54                                                      
CONECT  145   54                                                      
CONECT  146   55                                                      
CONECT  147   55                                                      
CONECT  148   58                                                      
CONECT  149   59                                                      
CONECT  150   60                                                      
CONECT  151   60                                                      
CONECT  152   63                                                      
CONECT  153   63                                                      
CONECT  154   64                                                      
CONECT  155   65                                                      
CONECT  156   65                                                      
CONECT  157   66                                                      
CONECT  158   66                                                      
CONECT  159   68                                                      
CONECT  160   72                                                      
CONECT  161   73                                                      
CONECT  162   74                                                      
CONECT  163   75                                                      
CONECT  164   77                                                      
CONECT  165   78                                                      
CONECT  166   78                                                      
CONECT  167   79                                                      
CONECT  168   82                                                      
CONECT  169   85                                                      
CONECT  170   86                                                      
CONECT  171   88                                                      
CONECT  172   89                                                      
MASTER        0    0    0    0    0    0    0    0  172    0  172    0
END
