COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.754   0.128  -0.639  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.686   0.620  -1.715  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.055   0.927  -1.103  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.002   1.427  -2.196  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.370   1.733  -1.584  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.998   0.438  -1.065  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.279   2.350  -2.649  1.00  0.00           C  
HETATM    8  C   UNL     1     -16.603   2.770  -2.008  1.00  0.00           C  
HETATM    9  O   UNL     1     -10.146   0.026   0.504  1.00  0.00           O  
HETATM   10  N   UNL     1      -8.485  -0.206  -0.948  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.578  -0.684   0.098  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.153  -0.409  -0.307  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.918   0.134  -1.366  1.00  0.00           O  
HETATM   14  C   UNL     1      -7.771  -2.190   0.291  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.180  -2.459   0.822  1.00  0.00           C  
HETATM   16  N   UNL     1      -9.366  -3.905   1.008  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.140  -0.766   0.507  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.754  -0.498   0.112  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.837  -1.471   0.806  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.143  -1.928   1.887  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.378   0.931   0.511  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.314   1.847  -0.059  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.972   1.250  -0.003  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.677  -1.835   0.225  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.838  -2.864   0.845  1.00  0.00           C  
HETATM   26  C   UNL     1       0.614  -2.497   0.676  1.00  0.00           C  
HETATM   27  O   UNL     1       0.935  -1.648  -0.129  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.105  -4.213   0.175  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.552  -4.635   0.436  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.808  -5.930  -0.208  1.00  0.00           N  
HETATM   31  N   UNL     1       1.556  -3.112   1.419  1.00  0.00           N  
HETATM   32  C   UNL     1       2.955  -2.680   1.334  1.00  0.00           C  
HETATM   33  C   UNL     1       3.850  -3.780   1.822  1.00  0.00           C  
HETATM   34  O   UNL     1       3.953  -3.948   3.037  1.00  0.00           O  
HETATM   35  C   UNL     1       3.156  -1.431   2.197  1.00  0.00           C  
HETATM   36  C   UNL     1       2.436  -1.585   3.536  1.00  0.00           C  
HETATM   37  N   UNL     1       2.696  -0.374   4.352  1.00  0.00           N  
HETATM   38  N   UNL     1       4.557  -4.606   1.018  1.00  0.00           N  
HETATM   39  C   UNL     1       4.587  -4.460  -0.441  1.00  0.00           C  
HETATM   40  C   UNL     1       5.232  -3.153  -0.826  1.00  0.00           C  
HETATM   41  O   UNL     1       5.313  -2.254  -0.017  1.00  0.00           O  
HETATM   42  C   UNL     1       3.210  -4.615  -1.072  1.00  0.00           C  
HETATM   43  C   UNL     1       2.706  -6.043  -0.854  1.00  0.00           C  
HETATM   44  N   UNL     1       1.414  -6.216  -1.532  1.00  0.00           N  
HETATM   45  N   UNL     1       5.701  -3.019  -2.095  1.00  0.00           N  
HETATM   46  C   UNL     1       6.612  -1.921  -2.434  1.00  0.00           C  
HETATM   47  C   UNL     1       7.792  -1.860  -1.464  1.00  0.00           C  
HETATM   48  C   UNL     1       8.642  -3.124  -1.616  1.00  0.00           C  
HETATM   49  C   UNL     1       9.889  -3.008  -0.737  1.00  0.00           C  
HETATM   50  C   UNL     1       7.825  -4.343  -1.184  1.00  0.00           C  
HETATM   51  C   UNL     1       5.876  -0.604  -2.440  1.00  0.00           C  
HETATM   52  O   UNL     1       4.969  -0.404  -1.664  1.00  0.00           O  
HETATM   53  N   UNL     1       6.290   0.340  -3.336  1.00  0.00           N  
HETATM   54  C   UNL     1       5.569   1.625  -3.394  1.00  0.00           C  
HETATM   55  C   UNL     1       5.668   2.330  -2.069  1.00  0.00           C  
HETATM   56  O   UNL     1       6.228   1.811  -1.127  1.00  0.00           O  
HETATM   57  C   UNL     1       4.108   1.417  -3.788  1.00  0.00           C  
HETATM   58  C   UNL     1       4.036   0.905  -5.228  1.00  0.00           C  
HETATM   59  C   UNL     1       2.584   0.571  -5.578  1.00  0.00           C  
HETATM   60  C   UNL     1       4.554   1.985  -6.180  1.00  0.00           C  
HETATM   61  N   UNL     1       5.118   3.570  -1.948  1.00  0.00           N  
HETATM   62  C   UNL     1       5.308   4.277  -0.665  1.00  0.00           C  
HETATM   63  C   UNL     1       4.159   3.936   0.253  1.00  0.00           C  
HETATM   64  O   UNL     1       3.578   2.882   0.090  1.00  0.00           O  
HETATM   65  C   UNL     1       5.337   5.784  -0.932  1.00  0.00           C  
HETATM   66  C   UNL     1       6.564   6.128  -1.778  1.00  0.00           C  
HETATM   67  N   UNL     1       6.593   7.575  -2.035  1.00  0.00           N  
HETATM   68  N   UNL     1       3.829   4.798   1.252  1.00  0.00           N  
HETATM   69  C   UNL     1       2.591   4.552   2.017  1.00  0.00           C  
HETATM   70  C   UNL     1       2.761   3.339   2.889  1.00  0.00           C  
HETATM   71  O   UNL     1       3.666   2.557   2.694  1.00  0.00           O  
HETATM   72  C   UNL     1       1.387   4.389   1.093  1.00  0.00           C  
HETATM   73  C   UNL     1       1.126   5.705   0.358  1.00  0.00           C  
HETATM   74  N   UNL     1      -0.032   5.548  -0.532  1.00  0.00           N  
HETATM   75  N   UNL     1       1.882   3.133   3.909  1.00  0.00           N  
HETATM   76  C   UNL     1       2.145   1.992   4.804  1.00  0.00           C  
HETATM   77  C   UNL     1       1.925   0.709   4.044  1.00  0.00           C  
HETATM   78  O   UNL     1       1.074   0.643   3.184  1.00  0.00           O  
HETATM   79  C   UNL     1       1.192   2.050   6.001  1.00  0.00           C  
HETATM   80  O   UNL     1      -0.152   1.871   5.549  1.00  0.00           O  
HETATM   81  C   UNL     1       1.321   3.409   6.692  1.00  0.00           C  
HETATM   82  H   UNL     1     -10.278   1.526  -2.164  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.795  -0.147  -2.481  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.463   0.021  -0.655  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.946   1.694  -0.337  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.594   2.332  -2.644  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.110   0.659  -2.962  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.250   2.434  -0.758  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.351  -0.002  -0.306  1.00  0.00           H  
HETATM   90  H   UNL     1     -15.973   0.656  -0.629  1.00  0.00           H  
HETATM   91  H   UNL     1     -15.118  -0.264  -1.891  1.00  0.00           H  
HETATM   92  H   UNL     1     -14.791   3.223  -3.082  1.00  0.00           H  
HETATM   93  H   UNL     1     -15.471   1.616  -3.432  1.00  0.00           H  
HETATM   94  H   UNL     1     -16.411   3.504  -1.225  1.00  0.00           H  
HETATM   95  H   UNL     1     -17.251   3.210  -2.767  1.00  0.00           H  
HETATM   96  H   UNL     1     -17.091   1.897  -1.576  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.172  -0.128  -1.863  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.796  -0.167   1.033  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.640  -2.698  -0.664  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.036  -2.562   1.005  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.312  -1.951   1.778  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.915  -2.087   0.109  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.290  -4.109   1.358  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.186  -4.405   0.150  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.327  -1.200   1.353  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.655  -0.611  -0.967  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.396   1.021   1.597  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.227   1.704   0.223  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.924   1.054  -1.074  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.747   2.300   0.184  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.245   0.624   0.514  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.397  -1.416  -0.604  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.074  -2.933   1.907  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.940  -4.123  -0.899  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.428  -4.962   0.584  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.716  -4.724   1.510  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.228  -3.885   0.026  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.758  -6.231  -0.050  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.601  -5.890  -1.195  1.00  0.00           H  
HETATM  120  H   UNL     1       1.308  -3.840   2.010  1.00  0.00           H  
HETATM  121  H   UNL     1       3.185  -2.419   0.302  1.00  0.00           H  
HETATM  122  H   UNL     1       4.223  -1.285   2.374  1.00  0.00           H  
HETATM  123  H   UNL     1       2.760  -0.563   1.669  1.00  0.00           H  
HETATM  124  H   UNL     1       1.362  -1.681   3.383  1.00  0.00           H  
HETATM  125  H   UNL     1       2.810  -2.460   4.066  1.00  0.00           H  
HETATM  126  H   UNL     1       3.367  -0.356   5.049  1.00  0.00           H  
HETATM  127  H   UNL     1       5.085  -5.336   1.439  1.00  0.00           H  
HETATM  128  H   UNL     1       5.229  -5.269  -0.850  1.00  0.00           H  
HETATM  129  H   UNL     1       2.517  -3.911  -0.610  1.00  0.00           H  
HETATM  130  H   UNL     1       3.274  -4.412  -2.141  1.00  0.00           H  
HETATM  131  H   UNL     1       3.428  -6.749  -1.263  1.00  0.00           H  
HETATM  132  H   UNL     1       2.583  -6.226   0.214  1.00  0.00           H  
HETATM  133  H   UNL     1       1.090  -7.168  -1.456  1.00  0.00           H  
HETATM  134  H   UNL     1       0.728  -5.570  -1.171  1.00  0.00           H  
HETATM  135  H   UNL     1       5.429  -3.663  -2.786  1.00  0.00           H  
HETATM  136  H   UNL     1       7.008  -2.092  -3.447  1.00  0.00           H  
HETATM  137  H   UNL     1       8.401  -0.984  -1.687  1.00  0.00           H  
HETATM  138  H   UNL     1       7.419  -1.794  -0.442  1.00  0.00           H  
HETATM  139  H   UNL     1       8.941  -3.237  -2.658  1.00  0.00           H  
HETATM  140  H   UNL     1       9.590  -2.894   0.305  1.00  0.00           H  
HETATM  141  H   UNL     1      10.494  -3.908  -0.845  1.00  0.00           H  
HETATM  142  H   UNL     1      10.471  -2.140  -1.045  1.00  0.00           H  
HETATM  143  H   UNL     1       6.936  -4.425  -1.810  1.00  0.00           H  
HETATM  144  H   UNL     1       8.430  -5.243  -1.292  1.00  0.00           H  
HETATM  145  H   UNL     1       7.525  -4.229  -0.142  1.00  0.00           H  
HETATM  146  H   UNL     1       7.048   0.161  -3.931  1.00  0.00           H  
HETATM  147  H   UNL     1       6.047   2.260  -4.157  1.00  0.00           H  
HETATM  148  H   UNL     1       3.652   0.686  -3.120  1.00  0.00           H  
HETATM  149  H   UNL     1       3.572   2.363  -3.711  1.00  0.00           H  
HETATM  150  H   UNL     1       4.649   0.009  -5.327  1.00  0.00           H  
HETATM  151  H   UNL     1       2.520   0.287  -6.629  1.00  0.00           H  
HETATM  152  H   UNL     1       2.242  -0.257  -4.957  1.00  0.00           H  
HETATM  153  H   UNL     1       1.957   1.444  -5.399  1.00  0.00           H  
HETATM  154  H   UNL     1       5.588   2.224  -5.930  1.00  0.00           H  
HETATM  155  H   UNL     1       4.503   1.621  -7.206  1.00  0.00           H  
HETATM  156  H   UNL     1       3.941   2.881  -6.081  1.00  0.00           H  
HETATM  157  H   UNL     1       4.627   3.984  -2.678  1.00  0.00           H  
HETATM  158  H   UNL     1       6.247   3.970  -0.207  1.00  0.00           H  
HETATM  159  H   UNL     1       4.433   6.076  -1.467  1.00  0.00           H  
HETATM  160  H   UNL     1       5.388   6.320   0.016  1.00  0.00           H  
HETATM  161  H   UNL     1       7.468   5.836  -1.244  1.00  0.00           H  
HETATM  162  H   UNL     1       6.514   5.592  -2.726  1.00  0.00           H  
HETATM  163  H   UNL     1       7.394   7.827  -2.592  1.00  0.00           H  
HETATM  164  H   UNL     1       5.737   7.881  -2.472  1.00  0.00           H  
HETATM  165  H   UNL     1       4.398   5.558   1.485  1.00  0.00           H  
HETATM  166  H   UNL     1       2.409   5.419   2.668  1.00  0.00           H  
HETATM  167  H   UNL     1       1.591   3.602   0.367  1.00  0.00           H  
HETATM  168  H   UNL     1       0.510   4.122   1.682  1.00  0.00           H  
HETATM  169  H   UNL     1       0.922   6.492   1.084  1.00  0.00           H  
HETATM  170  H   UNL     1       2.003   5.972  -0.231  1.00  0.00           H  
HETATM  171  H   UNL     1      -0.225   6.404  -1.029  1.00  0.00           H  
HETATM  172  H   UNL     1       0.106   4.781  -1.173  1.00  0.00           H  
HETATM  173  H   UNL     1       1.116   3.715   4.042  1.00  0.00           H  
HETATM  174  H   UNL     1       3.174   2.033   5.160  1.00  0.00           H  
HETATM  175  H   UNL     1       1.446   1.258   6.706  1.00  0.00           H  
HETATM  176  H   UNL     1      -0.812   1.896   6.255  1.00  0.00           H  
HETATM  177  H   UNL     1       0.643   3.449   7.544  1.00  0.00           H  
HETATM  178  H   UNL     1       2.346   3.545   7.037  1.00  0.00           H  
HETATM  179  H   UNL     1       1.067   4.200   5.987  1.00  0.00           H  
CONECT    1    9    9    2   10                                       
CONECT    2    1    3   82   83                                       
CONECT    3    2    4   84   85                                       
CONECT    4    3    5   86   87                                       
CONECT    5    4    7    6   88                                       
CONECT    6    5   89   90   91                                       
CONECT    7    5    8   92   93                                       
CONECT    8    7   94   95   96                                       
CONECT    9    1    1                                                 
CONECT   10   11   97    1                                            
CONECT   11   10   12   14   98                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   99  100                                       
CONECT   15   14   16  101  102                                       
CONECT   16   15  103  104                                            
CONECT   17   18  105   12                                            
CONECT   18   17   19   21  106                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   23  107                                       
CONECT   22   21  108                                                 
CONECT   23   21  109  110  111                                       
CONECT   24   25  112   19                                            
CONECT   25   24   26   28  113                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26                                                 
CONECT   28   25   29  114  115                                       
CONECT   29   28   30  116  117                                       
CONECT   30   29  118  119                                            
CONECT   31   32  120   26                                            
CONECT   32   31   33   35  121                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33                                                 
CONECT   35   32   36  122  123                                       
CONECT   36   35   37  124  125                                       
CONECT   37   36  126   77                                            
CONECT   38   39  127   33                                            
CONECT   39   38   40   42  128                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40                                                 
CONECT   42   39   43  129  130                                       
CONECT   43   42   44  131  132                                       
CONECT   44   43  133  134                                            
CONECT   45   46  135   40                                            
CONECT   46   45   47   51  136                                       
CONECT   47   46   48  137  138                                       
CONECT   48   47   49   50  139                                       
CONECT   49   48  140  141  142                                       
CONECT   50   48  143  144  145                                       
CONECT   51   46   52   52   53                                       
CONECT   52   51   51                                                 
CONECT   53   54  146   51                                            
CONECT   54   53   55   57  147                                       
CONECT   55   54   56   56   61                                       
CONECT   56   55   55                                                 
CONECT   57   54   58  148  149                                       
CONECT   58   57   59   60  150                                       
CONECT   59   58  151  152  153                                       
CONECT   60   58  154  155  156                                       
CONECT   61   62  157   55                                            
CONECT   62   61   63   65  158                                       
CONECT   63   62   64   64   68                                       
CONECT   64   63   63                                                 
CONECT   65   62   66  159  160                                       
CONECT   66   65   67  161  162                                       
CONECT   67   66  163  164                                            
CONECT   68   69  165   63                                            
CONECT   69   68   70   72  166                                       
CONECT   70   69   71   71   75                                       
CONECT   71   70   70                                                 
CONECT   72   69   73  167  168                                       
CONECT   73   72   74  169  170                                       
CONECT   74   73  171  172                                            
CONECT   75   76  173   70                                            
CONECT   76   75   77   79  174                                       
CONECT   77   76   78   78   37                                       
CONECT   78   77   77                                                 
CONECT   79   76   80   81  175                                       
CONECT   80   79  176                                                 
CONECT   81   79  177  178  179                                       
CONECT   82    2                                                      
CONECT   83    2                                                      
CONECT   84    3                                                      
CONECT   85    3                                                      
CONECT   86    4                                                      
CONECT   87    4                                                      
CONECT   88    5                                                      
CONECT   89    6                                                      
CONECT   90    6                                                      
CONECT   91    6                                                      
CONECT   92    7                                                      
CONECT   93    7                                                      
CONECT   94    8                                                      
CONECT   95    8                                                      
CONECT   96    8                                                      
CONECT   97   10                                                      
CONECT   98   11                                                      
CONECT   99   14                                                      
CONECT  100   14                                                      
CONECT  101   15                                                      
CONECT  102   15                                                      
CONECT  103   16                                                      
CONECT  104   16                                                      
CONECT  105   17                                                      
CONECT  106   18                                                      
CONECT  107   21                                                      
CONECT  108   22                                                      
CONECT  109   23                                                      
CONECT  110   23                                                      
CONECT  111   23                                                      
CONECT  112   24                                                      
CONECT  113   25                                                      
CONECT  114   28                                                      
CONECT  115   28                                                      
CONECT  116   29                                                      
CONECT  117   29                                                      
CONECT  118   30                                                      
CONECT  119   30                                                      
CONECT  120   31                                                      
CONECT  121   32                                                      
CONECT  122   35                                                      
CONECT  123   35                                                      
CONECT  124   36                                                      
CONECT  125   36                                                      
CONECT  126   37                                                      
CONECT  127   38                                                      
CONECT  128   39                                                      
CONECT  129   42                                                      
CONECT  130   42                                                      
CONECT  131   43                                                      
CONECT  132   43                                                      
CONECT  133   44                                                      
CONECT  134   44                                                      
CONECT  135   45                                                      
CONECT  136   46                                                      
CONECT  137   47                                                      
CONECT  138   47                                                      
CONECT  139   48                                                      
CONECT  140   49                                                      
CONECT  141   49                                                      
CONECT  142   49                                                      
CONECT  143   50                                                      
CONECT  144   50                                                      
CONECT  145   50                                                      
CONECT  146   53                                                      
CONECT  147   54                                                      
CONECT  148   57                                                      
CONECT  149   57                                                      
CONECT  150   58                                                      
CONECT  151   59                                                      
CONECT  152   59                                                      
CONECT  153   59                                                      
CONECT  154   60                                                      
CONECT  155   60                                                      
CONECT  156   60                                                      
CONECT  157   61                                                      
CONECT  158   62                                                      
CONECT  159   65                                                      
CONECT  160   65                                                      
CONECT  161   66                                                      
CONECT  162   66                                                      
CONECT  163   67                                                      
CONECT  164   67                                                      
CONECT  165   68                                                      
CONECT  166   69                                                      
CONECT  167   72                                                      
CONECT  168   72                                                      
CONECT  169   73                                                      
CONECT  170   73                                                      
CONECT  171   74                                                      
CONECT  172   74                                                      
CONECT  173   75                                                      
CONECT  174   76                                                      
CONECT  175   79                                                      
CONECT  176   80                                                      
CONECT  177   81                                                      
CONECT  178   81                                                      
CONECT  179   81                                                      
MASTER        0    0    0    0    0    0    0    0  179    0  179    0
END
