COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.710  -3.503   0.794  1.00  0.00           C  
HETATM    2  O   UNL     1      10.589  -3.631   1.994  1.00  0.00           O  
HETATM    3  C   UNL     1      10.666  -5.264  -0.951  1.00  0.00           C  
HETATM    4  O   UNL     1      12.195  -5.381   0.916  1.00  0.00           O  
HETATM    5  C   UNL     1      11.555  -4.477   0.014  1.00  0.00           C  
HETATM    6  N   UNL     1      10.085  -2.493   0.157  1.00  0.00           N  
HETATM    7  C   UNL     1       9.259  -1.549   0.915  1.00  0.00           C  
HETATM    8  C   UNL     1       8.226  -0.941   0.002  1.00  0.00           C  
HETATM    9  O   UNL     1       8.505  -0.696  -1.152  1.00  0.00           O  
HETATM   10  C   UNL     1      10.146  -0.443   1.490  1.00  0.00           C  
HETATM   11  C   UNL     1      10.910   0.241   0.355  1.00  0.00           C  
HETATM   12  C   UNL     1       9.273   0.587   2.210  1.00  0.00           C  
HETATM   13  C   UNL     1       6.695  -0.827   1.895  1.00  0.00           C  
HETATM   14  N   UNL     1       4.269  -4.798  -1.377  1.00  0.00           N  
HETATM   15  O   UNL     1       3.010  -3.184  -0.522  1.00  0.00           O  
HETATM   16  O   UNL     1       5.937   1.684   0.946  1.00  0.00           O  
HETATM   17  C   UNL     1       5.241  -2.560  -0.969  1.00  0.00           C  
HETATM   18  C   UNL     1       4.777  -1.209  -0.421  1.00  0.00           C  
HETATM   19  C   UNL     1       4.093  -3.535  -0.939  1.00  0.00           C  
HETATM   20  C   UNL     1       5.456   1.143  -0.028  1.00  0.00           C  
HETATM   21  C   UNL     1       5.943  -0.219  -0.451  1.00  0.00           C  
HETATM   22  N   UNL     1       6.990  -0.670   0.469  1.00  0.00           N  
HETATM   23  N   UNL     1       4.487   1.761  -0.732  1.00  0.00           N  
HETATM   24  C   UNL     1       4.013   3.085  -0.321  1.00  0.00           C  
HETATM   25  C   UNL     1       4.926   4.160  -0.915  1.00  0.00           C  
HETATM   26  C   UNL     1       6.306   4.029  -0.325  1.00  0.00           C  
HETATM   27  C   UNL     1       7.246   3.221  -0.937  1.00  0.00           C  
HETATM   28  C   UNL     1       6.635   4.722   0.826  1.00  0.00           C  
HETATM   29  C   UNL     1       8.512   3.101  -0.396  1.00  0.00           C  
HETATM   30  C   UNL     1       7.901   4.602   1.367  1.00  0.00           C  
HETATM   31  C   UNL     1       8.839   3.789   0.758  1.00  0.00           C  
HETATM   32  C   UNL     1       2.584   3.295  -0.824  1.00  0.00           C  
HETATM   33  O   UNL     1       2.563   3.203  -2.250  1.00  0.00           O  
HETATM   34  C   UNL     1       1.671   2.220  -0.230  1.00  0.00           C  
HETATM   35  C   UNL     1       0.244   2.498  -0.626  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.018   3.460  -1.316  1.00  0.00           O  
HETATM   37  N   UNL     1      -0.742   1.676  -0.214  1.00  0.00           N  
HETATM   38  C   UNL     1      -2.129   1.946  -0.599  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.060   1.329   0.412  1.00  0.00           C  
HETATM   40  O   UNL     1      -2.610   0.724   1.362  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.402   1.342  -1.979  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.545   2.056  -3.026  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.724   1.372  -4.383  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.981   3.519  -3.131  1.00  0.00           C  
HETATM   45  N   UNL     1      -4.394   1.451   0.262  1.00  0.00           N  
HETATM   46  C   UNL     1      -5.300   0.851   1.246  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.633   0.575   0.599  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.809   0.852  -0.569  1.00  0.00           O  
HETATM   49  C   UNL     1      -5.491   1.816   2.417  1.00  0.00           C  
HETATM   50  N   UNL     1      -7.629   0.021   1.318  1.00  0.00           N  
HETATM   51  C   UNL     1      -8.924  -0.248   0.689  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.222  -1.723   0.762  1.00  0.00           C  
HETATM   53  O   UNL     1      -8.692  -2.407   1.612  1.00  0.00           O  
HETATM   54  C   UNL     1     -10.018   0.531   1.423  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.797   2.009   1.231  1.00  0.00           C  
HETATM   56  C   UNL     1     -10.375   2.661   0.158  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.021   2.714   2.132  1.00  0.00           C  
HETATM   58  C   UNL     1     -10.173   4.017  -0.018  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.818   4.070   1.956  1.00  0.00           C  
HETATM   60  C   UNL     1      -9.392   4.721   0.880  1.00  0.00           C  
HETATM   61  C   UNL     1      -7.416  -0.314   2.728  1.00  0.00           C  
HETATM   62  C   UNL     1      -8.369  -6.764  -0.472  1.00  0.00           C  
HETATM   63  O   UNL     1      -8.244  -4.151  -0.387  1.00  0.00           O  
HETATM   64  C   UNL     1     -11.999  -2.406  -1.544  1.00  0.00           C  
HETATM   65  C   UNL     1     -11.520  -3.856  -1.271  1.00  0.00           C  
HETATM   66  C   UNL     1     -10.711  -1.594  -1.256  1.00  0.00           C  
HETATM   67  O   UNL     1      -9.547  -5.934  -0.300  1.00  0.00           O  
HETATM   68  C   UNL     1      -9.358  -4.605  -0.272  1.00  0.00           C  
HETATM   69  C   UNL     1     -10.534  -3.680  -0.097  1.00  0.00           C  
HETATM   70  N   UNL     1     -10.078  -2.282  -0.116  1.00  0.00           N  
HETATM   71  H   UNL     1      10.177  -4.574  -1.639  1.00  0.00           H  
HETATM   72  H   UNL     1      11.277  -5.969  -1.515  1.00  0.00           H  
HETATM   73  H   UNL     1       9.910  -5.810  -0.386  1.00  0.00           H  
HETATM   74  H   UNL     1      12.757  -6.038   0.482  1.00  0.00           H  
HETATM   75  H   UNL     1      12.311  -3.931  -0.551  1.00  0.00           H  
HETATM   76  H   UNL     1      10.182  -2.390  -0.802  1.00  0.00           H  
HETATM   77  H   UNL     1       8.760  -2.075   1.729  1.00  0.00           H  
HETATM   78  H   UNL     1      10.854  -0.876   2.196  1.00  0.00           H  
HETATM   79  H   UNL     1      10.201   0.673  -0.352  1.00  0.00           H  
HETATM   80  H   UNL     1      11.541   1.029   0.764  1.00  0.00           H  
HETATM   81  H   UNL     1      11.531  -0.493  -0.158  1.00  0.00           H  
HETATM   82  H   UNL     1       8.677   0.088   2.975  1.00  0.00           H  
HETATM   83  H   UNL     1       9.909   1.339   2.678  1.00  0.00           H  
HETATM   84  H   UNL     1       8.611   1.069   1.491  1.00  0.00           H  
HETATM   85  H   UNL     1       6.986   0.079   2.428  1.00  0.00           H  
HETATM   86  H   UNL     1       5.627  -1.000   2.028  1.00  0.00           H  
HETATM   87  H   UNL     1       7.253  -1.676   2.290  1.00  0.00           H  
HETATM   88  H   UNL     1       3.530  -5.425  -1.358  1.00  0.00           H  
HETATM   89  H   UNL     1       5.136  -5.078  -1.711  1.00  0.00           H  
HETATM   90  H   UNL     1       5.587  -2.437  -1.995  1.00  0.00           H  
HETATM   91  H   UNL     1       6.057  -2.940  -0.353  1.00  0.00           H  
HETATM   92  H   UNL     1       3.961  -0.828  -1.036  1.00  0.00           H  
HETATM   93  H   UNL     1       4.431  -1.332   0.605  1.00  0.00           H  
HETATM   94  H   UNL     1       6.346  -0.163  -1.462  1.00  0.00           H  
HETATM   95  H   UNL     1       4.102   1.329  -1.510  1.00  0.00           H  
HETATM   96  H   UNL     1       4.030   3.155   0.767  1.00  0.00           H  
HETATM   97  H   UNL     1       4.980   4.034  -1.996  1.00  0.00           H  
HETATM   98  H   UNL     1       4.524   5.146  -0.683  1.00  0.00           H  
HETATM   99  H   UNL     1       6.991   2.683  -1.838  1.00  0.00           H  
HETATM  100  H   UNL     1       5.902   5.357   1.301  1.00  0.00           H  
HETATM  101  H   UNL     1       9.246   2.469  -0.873  1.00  0.00           H  
HETATM  102  H   UNL     1       8.158   5.143   2.266  1.00  0.00           H  
HETATM  103  H   UNL     1       9.828   3.695   1.181  1.00  0.00           H  
HETATM  104  H   UNL     1       2.232   4.280  -0.518  1.00  0.00           H  
HETATM  105  H   UNL     1       2.864   2.351  -2.594  1.00  0.00           H  
HETATM  106  H   UNL     1       1.969   1.241  -0.607  1.00  0.00           H  
HETATM  107  H   UNL     1       1.755   2.232   0.857  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.533   0.906   0.337  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.293   3.023  -0.635  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.153   0.281  -1.967  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.457   1.465  -2.227  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.497   2.009  -2.731  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.773   1.418  -4.678  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.114   1.880  -5.129  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.414   0.329  -4.308  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.029   3.565  -3.426  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.853   4.006  -2.164  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.370   4.027  -3.878  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.755   1.935  -0.497  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.873  -0.083   1.611  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.165   1.370   3.149  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.527   2.016   2.885  1.00  0.00           H  
HETATM  123  H   UNL     1      -5.919   2.750   2.052  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.893   0.065  -0.355  1.00  0.00           H  
HETATM  125  H   UNL     1     -10.993   0.254   1.021  1.00  0.00           H  
HETATM  126  H   UNL     1      -9.983   0.293   2.486  1.00  0.00           H  
HETATM  127  H   UNL     1     -10.985   2.111  -0.543  1.00  0.00           H  
HETATM  128  H   UNL     1      -8.573   2.206   2.973  1.00  0.00           H  
HETATM  129  H   UNL     1     -10.624   4.526  -0.857  1.00  0.00           H  
HETATM  130  H   UNL     1      -8.212   4.621   2.660  1.00  0.00           H  
HETATM  131  H   UNL     1      -9.234   5.781   0.743  1.00  0.00           H  
HETATM  132  H   UNL     1      -7.688   0.539   3.349  1.00  0.00           H  
HETATM  133  H   UNL     1      -8.034  -1.171   2.996  1.00  0.00           H  
HETATM  134  H   UNL     1      -6.366  -0.559   2.889  1.00  0.00           H  
HETATM  135  H   UNL     1      -7.885  -6.518  -1.417  1.00  0.00           H  
HETATM  136  H   UNL     1      -7.675  -6.585   0.349  1.00  0.00           H  
HETATM  137  H   UNL     1      -8.662  -7.814  -0.477  1.00  0.00           H  
HETATM  138  H   UNL     1     -12.312  -2.286  -2.581  1.00  0.00           H  
HETATM  139  H   UNL     1     -12.800  -2.124  -0.860  1.00  0.00           H  
HETATM  140  H   UNL     1     -12.357  -4.490  -0.980  1.00  0.00           H  
HETATM  141  H   UNL     1     -11.011  -4.265  -2.144  1.00  0.00           H  
HETATM  142  H   UNL     1     -10.051  -1.610  -2.123  1.00  0.00           H  
HETATM  143  H   UNL     1     -10.962  -0.567  -0.988  1.00  0.00           H  
HETATM  144  H   UNL     1     -11.038  -3.895   0.845  1.00  0.00           H  
CONECT    1    2    2    5    6                                       
CONECT    2    1    1                                                 
CONECT    3    5   71   72   73                                       
CONECT    4    5   74                                                 
CONECT    5    1    3    4   75                                       
CONECT    6    7   76    1                                            
CONECT    7    6    8   10   77                                       
CONECT    8    7    9    9   22                                       
CONECT    9    8    8                                                 
CONECT   10    7   11   12   78                                       
CONECT   11   10   79   80   81                                       
CONECT   12   10   82   83   84                                       
CONECT   13   22   85   86   87                                       
CONECT   14   19   88   89                                            
CONECT   15   19   19                                                 
CONECT   16   20   20                                                 
CONECT   17   18   19   90   91                                       
CONECT   18   17   21   92   93                                       
CONECT   19   14   15   15   17                                       
CONECT   20   16   16   21   23                                       
CONECT   21   18   20   22   94                                       
CONECT   22   13   21    8                                            
CONECT   23   24   95   20                                            
CONECT   24   23   25   32   96                                       
CONECT   25   24   26   97   98                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   29   99                                       
CONECT   28   26   30   30  100                                       
CONECT   29   27   31   31  101                                       
CONECT   30   28   28   31  102                                       
CONECT   31   29   29   30  103                                       
CONECT   32   24   33   34  104                                       
CONECT   33   32  105                                                 
CONECT   34   32   35  106  107                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   38  108   35                                            
CONECT   38   37   39   41  109                                       
CONECT   39   38   40   40   45                                       
CONECT   40   39   39                                                 
CONECT   41   38   42  110  111                                       
CONECT   42   41   43   44  112                                       
CONECT   43   42  113  114  115                                       
CONECT   44   42  116  117  118                                       
CONECT   45   46  119   39                                            
CONECT   46   45   47   49  120                                       
CONECT   47   46   48   48   50                                       
CONECT   48   47   47                                                 
CONECT   49   46  121  122  123                                       
CONECT   50   51   61   47                                            
CONECT   51   50   52   54  124                                       
CONECT   52   51   53   53   70                                       
CONECT   53   52   52                                                 
CONECT   54   51   55  125  126                                       
CONECT   55   54   56   56   57                                       
CONECT   56   55   55   58  127                                       
CONECT   57   55   59   59  128                                       
CONECT   58   56   60   60  129                                       
CONECT   59   57   57   60  130                                       
CONECT   60   58   58   59  131                                       
CONECT   61   50  132  133  134                                       
CONECT   62   67  135  136  137                                       
CONECT   63   68   68                                                 
CONECT   64   65   66  138  139                                       
CONECT   65   64   69  140  141                                       
CONECT   66   64   70  142  143                                       
CONECT   67   62   68                                                 
CONECT   68   63   63   67   69                                       
CONECT   69   65   68   70  144                                       
CONECT   70   66   69   52                                            
CONECT   71    3                                                      
CONECT   72    3                                                      
CONECT   73    3                                                      
CONECT   74    4                                                      
CONECT   75    5                                                      
CONECT   76    6                                                      
CONECT   77    7                                                      
CONECT   78   10                                                      
CONECT   79   11                                                      
CONECT   80   11                                                      
CONECT   81   11                                                      
CONECT   82   12                                                      
CONECT   83   12                                                      
CONECT   84   12                                                      
CONECT   85   13                                                      
CONECT   86   13                                                      
CONECT   87   13                                                      
CONECT   88   14                                                      
CONECT   89   14                                                      
CONECT   90   17                                                      
CONECT   91   17                                                      
CONECT   92   18                                                      
CONECT   93   18                                                      
CONECT   94   21                                                      
CONECT   95   23                                                      
CONECT   96   24                                                      
CONECT   97   25                                                      
CONECT   98   25                                                      
CONECT   99   27                                                      
CONECT  100   28                                                      
CONECT  101   29                                                      
CONECT  102   30                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   34                                                      
CONECT  107   34                                                      
CONECT  108   37                                                      
CONECT  109   38                                                      
CONECT  110   41                                                      
CONECT  111   41                                                      
CONECT  112   42                                                      
CONECT  113   43                                                      
CONECT  114   43                                                      
CONECT  115   43                                                      
CONECT  116   44                                                      
CONECT  117   44                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   46                                                      
CONECT  121   49                                                      
CONECT  122   49                                                      
CONECT  123   49                                                      
CONECT  124   51                                                      
CONECT  125   54                                                      
CONECT  126   54                                                      
CONECT  127   56                                                      
CONECT  128   57                                                      
CONECT  129   58                                                      
CONECT  130   59                                                      
CONECT  131   60                                                      
CONECT  132   61                                                      
CONECT  133   61                                                      
CONECT  134   61                                                      
CONECT  135   62                                                      
CONECT  136   62                                                      
CONECT  137   62                                                      
CONECT  138   64                                                      
CONECT  139   64                                                      
CONECT  140   65                                                      
CONECT  141   65                                                      
CONECT  142   66                                                      
CONECT  143   66                                                      
CONECT  144   69                                                      
MASTER        0    0    0    0    0    0    0    0  144    0  144    0
END
