COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.356   7.533   0.312  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.051   7.949   0.389  1.00  0.00           C  
HETATM    3  C   UNL     1       2.012   7.653   1.621  1.00  0.00           C  
HETATM    4  C   UNL     1       1.473   6.167  -0.212  1.00  0.00           C  
HETATM    5  C   UNL     1       2.904   5.893  -0.581  1.00  0.00           C  
HETATM    6  O   UNL     1       3.526   6.721  -1.215  1.00  0.00           O  
HETATM    7  C   UNL     1       0.567   6.010  -1.442  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.737   5.600  -0.971  1.00  0.00           O  
HETATM    9  C   UNL     1       1.159   4.950  -2.374  1.00  0.00           C  
HETATM   10  N   UNL     1       3.503   4.744  -0.209  1.00  0.00           N  
HETATM   11  C   UNL     1       4.898   4.480  -0.558  1.00  0.00           C  
HETATM   12  C   UNL     1       5.198   3.007  -0.416  1.00  0.00           C  
HETATM   13  O   UNL     1       4.397   2.283   0.142  1.00  0.00           O  
HETATM   14  C   UNL     1       5.809   5.267   0.391  1.00  0.00           C  
HETATM   15  C   UNL     1       7.272   4.993   0.036  1.00  0.00           C  
HETATM   16  C   UNL     1       5.522   6.763   0.249  1.00  0.00           C  
HETATM   17  C   UNL     1       6.400   0.093  -0.680  1.00  0.00           C  
HETATM   18  N   UNL     1       6.339   2.517  -0.940  1.00  0.00           N  
HETATM   19  O   UNL     1       5.200   0.025  -0.850  1.00  0.00           O  
HETATM   20  C   UNL     1       7.047   1.399  -0.312  1.00  0.00           C  
HETATM   21  C   UNL     1       7.072   1.558   1.182  1.00  0.00           C  
HETATM   22  C   UNL     1       7.119   1.849   3.931  1.00  0.00           C  
HETATM   23  C   UNL     1       6.104   1.129   3.330  1.00  0.00           C  
HETATM   24  C   UNL     1       8.114   2.419   3.159  1.00  0.00           C  
HETATM   25  C   UNL     1       6.081   0.983   1.955  1.00  0.00           C  
HETATM   26  C   UNL     1       8.090   2.273   1.784  1.00  0.00           C  
HETATM   27  N   UNL     1       7.155  -1.020  -0.829  1.00  0.00           N  
HETATM   28  C   UNL     1       6.641  -2.343  -1.197  1.00  0.00           C  
HETATM   29  C   UNL     1       5.799  -2.884  -0.071  1.00  0.00           C  
HETATM   30  O   UNL     1       6.165  -2.678   1.072  1.00  0.00           O  
HETATM   31  C   UNL     1       7.833  -3.276  -1.428  1.00  0.00           C  
HETATM   32  C   UNL     1       9.091  -2.484  -1.055  1.00  0.00           C  
HETATM   33  C   UNL     1       8.601  -1.090  -0.651  1.00  0.00           C  
HETATM   34  N   UNL     1       4.674  -3.596  -0.291  1.00  0.00           N  
HETATM   35  C   UNL     1       4.179  -3.862  -1.647  1.00  0.00           C  
HETATM   36  C   UNL     1       3.951  -4.127   0.871  1.00  0.00           C  
HETATM   37  C   UNL     1       3.237  -2.996   1.610  1.00  0.00           C  
HETATM   38  C   UNL     1       2.364  -3.583   2.720  1.00  0.00           C  
HETATM   39  C   UNL     1       4.274  -2.052   2.222  1.00  0.00           C  
HETATM   40  C   UNL     1       2.944  -5.169   0.449  1.00  0.00           C  
HETATM   41  O   UNL     1       3.300  -6.329   0.510  1.00  0.00           O  
HETATM   42  N   UNL     1       1.732  -4.816   0.013  1.00  0.00           N  
HETATM   43  C   UNL     1       0.659  -5.690  -0.200  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.641  -5.143  -0.631  1.00  0.00           C  
HETATM   45  O   UNL     1      -0.643  -4.080  -1.244  1.00  0.00           O  
HETATM   46  C   UNL     1       0.813  -7.005  -0.055  1.00  0.00           C  
HETATM   47  C   UNL     1       0.273  -7.947  -1.100  1.00  0.00           C  
HETATM   48  C   UNL     1       1.260  -8.528  -2.115  1.00  0.00           C  
HETATM   49  O   UNL     1       0.309  -7.520  -2.464  1.00  0.00           O  
HETATM   50  C   UNL     1       1.529  -7.550   1.154  1.00  0.00           C  
HETATM   51  O   UNL     1       1.743  -6.498   2.096  1.00  0.00           O  
HETATM   52  N   UNL     1      -1.820  -5.755  -0.401  1.00  0.00           N  
HETATM   53  C   UNL     1      -3.123  -5.287  -0.879  1.00  0.00           C  
HETATM   54  C   UNL     1      -3.393  -3.856  -0.476  1.00  0.00           C  
HETATM   55  O   UNL     1      -2.504  -3.176  -0.018  1.00  0.00           O  
HETATM   56  C   UNL     1      -4.216  -6.188  -0.288  1.00  0.00           C  
HETATM   57  C   UNL     1      -3.501  -7.126   0.693  1.00  0.00           C  
HETATM   58  C   UNL     1      -2.007  -6.989   0.371  1.00  0.00           C  
HETATM   59  N   UNL     1      -4.611  -3.351  -0.616  1.00  0.00           N  
HETATM   60  C   UNL     1      -5.016  -1.960  -0.646  1.00  0.00           C  
HETATM   61  C   UNL     1      -4.359  -1.246  -1.781  1.00  0.00           C  
HETATM   62  O   UNL     1      -4.468  -1.779  -2.895  1.00  0.00           O  
HETATM   63  C   UNL     1      -4.788  -1.287   0.701  1.00  0.00           C  
HETATM   64  O   UNL     1      -4.286  -2.240   1.643  1.00  0.00           O  
HETATM   65  C   UNL     1      -6.090  -0.730   1.232  1.00  0.00           C  
HETATM   66  C   UNL     1      -6.113   0.531   1.800  1.00  0.00           C  
HETATM   67  C   UNL     1      -7.248  -1.481   1.160  1.00  0.00           C  
HETATM   68  C   UNL     1      -7.307   1.050   2.276  1.00  0.00           C  
HETATM   69  C   UNL     1      -8.436  -0.967   1.648  1.00  0.00           C  
HETATM   70  C   UNL     1      -8.472   0.303   2.204  1.00  0.00           C  
HETATM   71  O   UNL     1      -9.644   0.810   2.674  1.00  0.00           O  
HETATM   72  C   UNL     1     -10.801  -0.022   2.564  1.00  0.00           C  
HETATM   73  N   UNL     1      -3.657  -0.118  -1.757  1.00  0.00           N  
HETATM   74  C   UNL     1      -2.267  -0.083  -1.311  1.00  0.00           C  
HETATM   75  C   UNL     1      -4.280   1.131  -2.240  1.00  0.00           C  
HETATM   76  C   UNL     1      -5.800   1.024  -2.096  1.00  0.00           C  
HETATM   77  C   UNL     1      -6.452   2.312  -2.605  1.00  0.00           C  
HETATM   78  C   UNL     1      -6.308  -0.163  -2.916  1.00  0.00           C  
HETATM   79  C   UNL     1      -3.779   2.305  -1.456  1.00  0.00           C  
HETATM   80  O   UNL     1      -3.624   2.177  -0.251  1.00  0.00           O  
HETATM   81  O   UNL     1      -7.312   2.322   2.794  1.00  0.00           O  
HETATM   82  N   UNL     1      -3.507   3.505  -1.996  1.00  0.00           N  
HETATM   83  C   UNL     1      -3.909   3.789  -3.378  1.00  0.00           C  
HETATM   84  C   UNL     1      -2.867   4.499  -1.254  1.00  0.00           C  
HETATM   85  C   UNL     1      -1.684   5.182  -1.820  1.00  0.00           C  
HETATM   86  O   UNL     1      -1.598   5.403  -3.010  1.00  0.00           O  
HETATM   87  C   UNL     1      -3.230   4.870  -0.016  1.00  0.00           C  
HETATM   88  C   UNL     1      -4.373   4.339   0.721  1.00  0.00           C  
HETATM   89  C   UNL     1      -4.221   4.109   2.106  1.00  0.00           C  
HETATM   90  C   UNL     1      -5.590   4.044   0.113  1.00  0.00           C  
HETATM   91  C   UNL     1      -5.234   3.504   2.816  1.00  0.00           C  
HETATM   92  C   UNL     1      -6.595   3.439   0.830  1.00  0.00           C  
HETATM   93  C   UNL     1      -6.393   3.119   2.167  1.00  0.00           C  
HETATM   94  H   UNL     1      -0.578   7.317   1.103  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.105   8.988   0.713  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.513   7.851  -0.594  1.00  0.00           H  
HETATM   97  H   UNL     1       3.080   7.469   1.510  1.00  0.00           H  
HETATM   98  H   UNL     1       1.855   8.657   2.016  1.00  0.00           H  
HETATM   99  H   UNL     1       1.587   6.922   2.309  1.00  0.00           H  
HETATM  100  H   UNL     1       1.159   5.459   0.552  1.00  0.00           H  
HETATM  101  H   UNL     1       0.501   6.964  -1.959  1.00  0.00           H  
HETATM  102  H   UNL     1       1.225   3.999  -1.846  1.00  0.00           H  
HETATM  103  H   UNL     1       0.518   4.837  -3.248  1.00  0.00           H  
HETATM  104  H   UNL     1       2.154   5.260  -2.691  1.00  0.00           H  
HETATM  105  H   UNL     1       2.999   4.090   0.299  1.00  0.00           H  
HETATM  106  H   UNL     1       5.075   4.790  -1.587  1.00  0.00           H  
HETATM  107  H   UNL     1       5.620   4.956   1.418  1.00  0.00           H  
HETATM  108  H   UNL     1       7.462   5.304  -0.991  1.00  0.00           H  
HETATM  109  H   UNL     1       7.920   5.553   0.711  1.00  0.00           H  
HETATM  110  H   UNL     1       7.477   3.928   0.137  1.00  0.00           H  
HETATM  111  H   UNL     1       4.496   6.967   0.557  1.00  0.00           H  
HETATM  112  H   UNL     1       6.209   7.326   0.881  1.00  0.00           H  
HETATM  113  H   UNL     1       5.655   7.062  -0.790  1.00  0.00           H  
HETATM  114  H   UNL     1       6.735   2.939  -1.727  1.00  0.00           H  
HETATM  115  H   UNL     1       8.084   1.393  -0.677  1.00  0.00           H  
HETATM  116  H   UNL     1       7.135   1.966   5.005  1.00  0.00           H  
HETATM  117  H   UNL     1       5.327   0.683   3.933  1.00  0.00           H  
HETATM  118  H   UNL     1       8.907   2.982   3.628  1.00  0.00           H  
HETATM  119  H   UNL     1       5.288   0.421   1.485  1.00  0.00           H  
HETATM  120  H   UNL     1       8.868   2.718   1.181  1.00  0.00           H  
HETATM  121  H   UNL     1       6.067  -2.247  -2.116  1.00  0.00           H  
HETATM  122  H   UNL     1       7.741  -4.158  -0.793  1.00  0.00           H  
HETATM  123  H   UNL     1       7.872  -3.582  -2.472  1.00  0.00           H  
HETATM  124  H   UNL     1       9.604  -2.959  -0.217  1.00  0.00           H  
HETATM  125  H   UNL     1       9.765  -2.409  -1.906  1.00  0.00           H  
HETATM  126  H   UNL     1       9.085  -0.341  -1.278  1.00  0.00           H  
HETATM  127  H   UNL     1       8.854  -0.906   0.394  1.00  0.00           H  
HETATM  128  H   UNL     1       4.850  -3.405  -2.375  1.00  0.00           H  
HETATM  129  H   UNL     1       4.140  -4.938  -1.816  1.00  0.00           H  
HETATM  130  H   UNL     1       3.180  -3.440  -1.759  1.00  0.00           H  
HETATM  131  H   UNL     1       4.668  -4.598   1.547  1.00  0.00           H  
HETATM  132  H   UNL     1       2.611  -2.443   0.909  1.00  0.00           H  
HETATM  133  H   UNL     1       2.989  -4.136   3.421  1.00  0.00           H  
HETATM  134  H   UNL     1       1.854  -2.776   3.247  1.00  0.00           H  
HETATM  135  H   UNL     1       1.625  -4.255   2.284  1.00  0.00           H  
HETATM  136  H   UNL     1       4.770  -1.493   1.428  1.00  0.00           H  
HETATM  137  H   UNL     1       3.778  -1.358   2.900  1.00  0.00           H  
HETATM  138  H   UNL     1       5.014  -2.633   2.773  1.00  0.00           H  
HETATM  139  H   UNL     1       1.557  -3.868  -0.194  1.00  0.00           H  
HETATM  140  H   UNL     1      -0.560  -8.575  -0.785  1.00  0.00           H  
HETATM  141  H   UNL     1       2.306  -8.232  -2.033  1.00  0.00           H  
HETATM  142  H   UNL     1       1.082  -9.541  -2.474  1.00  0.00           H  
HETATM  143  H   UNL     1       0.922  -8.331   1.613  1.00  0.00           H  
HETATM  144  H   UNL     1       2.489  -7.968   0.850  1.00  0.00           H  
HETATM  145  H   UNL     1       2.264  -6.760   2.867  1.00  0.00           H  
HETATM  146  H   UNL     1      -3.151  -5.356  -1.972  1.00  0.00           H  
HETATM  147  H   UNL     1      -4.956  -5.588   0.241  1.00  0.00           H  
HETATM  148  H   UNL     1      -4.698  -6.761  -1.081  1.00  0.00           H  
HETATM  149  H   UNL     1      -3.692  -6.819   1.721  1.00  0.00           H  
HETATM  150  H   UNL     1      -3.825  -8.154   0.538  1.00  0.00           H  
HETATM  151  H   UNL     1      -1.688  -7.851  -0.220  1.00  0.00           H  
HETATM  152  H   UNL     1      -1.441  -6.943   1.301  1.00  0.00           H  
HETATM  153  H   UNL     1      -5.325  -3.996  -0.754  1.00  0.00           H  
HETATM  154  H   UNL     1      -6.110  -1.944  -0.845  1.00  0.00           H  
HETATM  155  H   UNL     1      -4.077  -0.471   0.601  1.00  0.00           H  
HETATM  156  H   UNL     1      -4.120  -1.873   2.522  1.00  0.00           H  
HETATM  157  H   UNL     1      -5.197   1.101   1.872  1.00  0.00           H  
HETATM  158  H   UNL     1      -7.230  -2.471   0.723  1.00  0.00           H  
HETATM  159  H   UNL     1      -9.339  -1.557   1.595  1.00  0.00           H  
HETATM  160  H   UNL     1     -10.638  -0.946   3.119  1.00  0.00           H  
HETATM  161  H   UNL     1     -11.665   0.501   2.974  1.00  0.00           H  
HETATM  162  H   UNL     1     -10.982  -0.255   1.515  1.00  0.00           H  
HETATM  163  H   UNL     1      -1.952  -1.087  -1.028  1.00  0.00           H  
HETATM  164  H   UNL     1      -1.635   0.281  -2.121  1.00  0.00           H  
HETATM  165  H   UNL     1      -2.178   0.583  -0.453  1.00  0.00           H  
HETATM  166  H   UNL     1      -4.030   1.230  -3.297  1.00  0.00           H  
HETATM  167  H   UNL     1      -6.057   0.878  -1.047  1.00  0.00           H  
HETATM  168  H   UNL     1      -7.516   2.299  -2.366  1.00  0.00           H  
HETATM  169  H   UNL     1      -5.982   3.171  -2.127  1.00  0.00           H  
HETATM  170  H   UNL     1      -6.323   2.381  -3.686  1.00  0.00           H  
HETATM  171  H   UNL     1      -6.205  -1.078  -2.332  1.00  0.00           H  
HETATM  172  H   UNL     1      -7.358  -0.009  -3.167  1.00  0.00           H  
HETATM  173  H   UNL     1      -5.724  -0.249  -3.832  1.00  0.00           H  
HETATM  174  H   UNL     1      -4.912   4.215  -3.385  1.00  0.00           H  
HETATM  175  H   UNL     1      -3.210   4.498  -3.822  1.00  0.00           H  
HETATM  176  H   UNL     1      -3.903   2.864  -3.955  1.00  0.00           H  
HETATM  177  H   UNL     1      -2.610   5.630   0.483  1.00  0.00           H  
HETATM  178  H   UNL     1      -3.310   4.400   2.606  1.00  0.00           H  
HETATM  179  H   UNL     1      -5.754   4.305  -0.923  1.00  0.00           H  
HETATM  180  H   UNL     1      -5.121   3.335   3.878  1.00  0.00           H  
HETATM  181  H   UNL     1      -7.536   3.210   0.353  1.00  0.00           H  
CONECT    1    3    2    4                                            
CONECT    2    1   94   95   96                                       
CONECT    3    1   97   98   99                                       
CONECT    4    1    5    7  100                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5                                                 
CONECT    7    4    8    9  101                                       
CONECT    8    7   85                                                 
CONECT    9    7  102  103  104                                       
CONECT   10   11  105    5                                            
CONECT   11   10   12   14  106                                       
CONECT   12   11   13   13   18                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16  107                                       
CONECT   15   14  108  109  110                                       
CONECT   16   14  111  112  113                                       
CONECT   17   19   19   20   27                                       
CONECT   18  114   20   12                                            
CONECT   19   17   17                                                 
CONECT   20   17   18   21  115                                       
CONECT   21   20   25   26   26                                       
CONECT   22   23  116   24   24                                       
CONECT   23   22  117   25   25                                       
CONECT   24   22   22  118   26                                       
CONECT   25   21   23   23  119                                       
CONECT   26   21   21   24  120                                       
CONECT   27   28   33   17                                            
CONECT   28   27   29   31  121                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29                                                 
CONECT   31   28   32  122  123                                       
CONECT   32   31   33  124  125                                       
CONECT   33   27   32  126  127                                       
CONECT   34   35   36   29                                            
CONECT   35   34  128  129  130                                       
CONECT   36   34   37   40  131                                       
CONECT   37   36   38   39  132                                       
CONECT   38   37  133  134  135                                       
CONECT   39   37  136  137  138                                       
CONECT   40   36   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   43  139   40                                            
CONECT   43   42   46   46   44                                       
CONECT   44   45   45   43   52                                       
CONECT   45   44   44                                                 
CONECT   46   50   43   43   47                                       
CONECT   47   46   48   49  140                                       
CONECT   48   47   49  141  142                                       
CONECT   49   47   48                                                 
CONECT   50   51   46  143  144                                       
CONECT   51   50  145                                                 
CONECT   52   53   58   44                                            
CONECT   53   52   54   56  146                                       
CONECT   54   53   55   55   59                                       
CONECT   55   54   54                                                 
CONECT   56   53   57  147  148                                       
CONECT   57   56   58  149  150                                       
CONECT   58   52   57  151  152                                       
CONECT   59   60  153   54                                            
CONECT   60   61   63   59  154                                       
CONECT   61   62   62   60   73                                       
CONECT   62   61   61                                                 
CONECT   63   64   60   65  155                                       
CONECT   64   63  156                                                 
CONECT   65   63   66   66   67                                       
CONECT   66   65   65   68  157                                       
CONECT   67   65   69   69  158                                       
CONECT   68   66   70   70   81                                       
CONECT   69   67   67   70  159                                       
CONECT   70   68   68   69   71                                       
CONECT   71   70   72                                                 
CONECT   72   71  160  161  162                                       
CONECT   73   74   75   61                                            
CONECT   74   73  163  164  165                                       
CONECT   75   73   76   79  166                                       
CONECT   76   75   77   78  167                                       
CONECT   77   76  168  169  170                                       
CONECT   78   76  171  172  173                                       
CONECT   79   75   80   80   82                                       
CONECT   80   79   79                                                 
CONECT   81   93   68                                                 
CONECT   82   83   84   79                                            
CONECT   83   82  174  175  176                                       
CONECT   84   85   82   87   87                                       
CONECT   85   86   86   84    8                                       
CONECT   86   85   85                                                 
CONECT   87   84   84   88  177                                       
CONECT   88   87   90   90   89                                       
CONECT   89   88   91   91  178                                       
CONECT   90   88   88   92  179                                       
CONECT   91   89   89   93  180                                       
CONECT   92   90   93   93  181                                       
CONECT   93   92   92   91   81                                       
CONECT   94    2                                                      
CONECT   95    2                                                      
CONECT   96    2                                                      
CONECT   97    3                                                      
CONECT   98    3                                                      
CONECT   99    3                                                      
CONECT  100    4                                                      
CONECT  101    7                                                      
CONECT  102    9                                                      
CONECT  103    9                                                      
CONECT  104    9                                                      
CONECT  105   10                                                      
CONECT  106   11                                                      
CONECT  107   14                                                      
CONECT  108   15                                                      
CONECT  109   15                                                      
CONECT  110   15                                                      
CONECT  111   16                                                      
CONECT  112   16                                                      
CONECT  113   16                                                      
CONECT  114   18                                                      
CONECT  115   20                                                      
CONECT  116   22                                                      
CONECT  117   23                                                      
CONECT  118   24                                                      
CONECT  119   25                                                      
CONECT  120   26                                                      
CONECT  121   28                                                      
CONECT  122   31                                                      
CONECT  123   31                                                      
CONECT  124   32                                                      
CONECT  125   32                                                      
CONECT  126   33                                                      
CONECT  127   33                                                      
CONECT  128   35                                                      
CONECT  129   35                                                      
CONECT  130   35                                                      
CONECT  131   36                                                      
CONECT  132   37                                                      
CONECT  133   38                                                      
CONECT  134   38                                                      
CONECT  135   38                                                      
CONECT  136   39                                                      
CONECT  137   39                                                      
CONECT  138   39                                                      
CONECT  139   42                                                      
CONECT  140   47                                                      
CONECT  141   48                                                      
CONECT  142   48                                                      
CONECT  143   50                                                      
CONECT  144   50                                                      
CONECT  145   51                                                      
CONECT  146   53                                                      
CONECT  147   56                                                      
CONECT  148   56                                                      
CONECT  149   57                                                      
CONECT  150   57                                                      
CONECT  151   58                                                      
CONECT  152   58                                                      
CONECT  153   59                                                      
CONECT  154   60                                                      
CONECT  155   63                                                      
CONECT  156   64                                                      
CONECT  157   66                                                      
CONECT  158   67                                                      
CONECT  159   69                                                      
CONECT  160   72                                                      
CONECT  161   72                                                      
CONECT  162   72                                                      
CONECT  163   74                                                      
CONECT  164   74                                                      
CONECT  165   74                                                      
CONECT  166   75                                                      
CONECT  167   76                                                      
CONECT  168   77                                                      
CONECT  169   77                                                      
CONECT  170   77                                                      
CONECT  171   78                                                      
CONECT  172   78                                                      
CONECT  173   78                                                      
CONECT  174   83                                                      
CONECT  175   83                                                      
CONECT  176   83                                                      
CONECT  177   87                                                      
CONECT  178   89                                                      
CONECT  179   90                                                      
CONECT  180   91                                                      
CONECT  181   92                                                      
MASTER        0    0    0    0    0    0    0    0  181    0  181    0
END
