COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.688  -1.391   0.900  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.516  -1.626   0.052  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.273  -1.181   0.779  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.358  -0.714   1.895  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.412  -3.118  -0.271  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.596  -3.536  -1.103  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.530  -3.469  -2.483  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.747  -3.991  -0.488  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.617  -3.851  -3.246  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.834  -4.375  -1.252  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.770  -4.301  -2.631  1.00  0.00           C  
HETATM   12  C   UNL     1       9.249   0.184  -0.105  1.00  0.00           C  
HETATM   13  C   UNL     1      10.185  -0.558  -1.061  1.00  0.00           C  
HETATM   14  C   UNL     1       2.634  -2.001   1.802  1.00  0.00           C  
HETATM   15  C   UNL     1       2.141  -0.871   0.896  1.00  0.00           C  
HETATM   16  C   UNL     1       3.213  -0.527  -0.106  1.00  0.00           C  
HETATM   17  C   UNL     1       5.279   1.678  -1.123  1.00  0.00           C  
HETATM   18  C   UNL     1       5.461   0.232  -0.657  1.00  0.00           C  
HETATM   19  C   UNL     1       6.817   0.078  -0.016  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.902  -1.222   0.339  1.00  0.00           C  
HETATM   21  C   UNL     1       3.958   1.806  -1.884  1.00  0.00           C  
HETATM   22  C   UNL     1       3.716   3.244  -2.284  1.00  0.00           C  
HETATM   23  C   UNL     1       3.655   3.312  -3.667  1.00  0.00           C  
HETATM   24  C   UNL     1       4.028   1.039  -3.214  1.00  0.00           C  
HETATM   25  C   UNL     1       3.565   4.385  -1.519  1.00  0.00           C  
HETATM   26  C   UNL     1       3.351   5.606  -2.129  1.00  0.00           C  
HETATM   27  C   UNL     1       3.288   5.685  -3.509  1.00  0.00           C  
HETATM   28  C   UNL     1       3.439   4.550  -4.276  1.00  0.00           C  
HETATM   29  C   UNL     1      11.545  -0.760  -0.390  1.00  0.00           C  
HETATM   30  C   UNL     1      12.426  -1.640  -1.279  1.00  0.00           C  
HETATM   31  C   UNL     1      14.693  -2.594  -1.253  1.00  0.00           C  
HETATM   32  C   UNL     1       3.521  -4.227   1.753  1.00  0.00           C  
HETATM   33  C   UNL     1       3.921  -5.333   0.812  1.00  0.00           C  
HETATM   34  C   UNL     1       5.215  -5.397   0.330  1.00  0.00           C  
HETATM   35  C   UNL     1       5.582  -6.412  -0.534  1.00  0.00           C  
HETATM   36  C   UNL     1       4.655  -7.363  -0.916  1.00  0.00           C  
HETATM   37  C   UNL     1       3.361  -7.300  -0.434  1.00  0.00           C  
HETATM   38  C   UNL     1       2.996  -6.288   0.434  1.00  0.00           C  
HETATM   39  C   UNL     1      10.922   1.432   2.519  1.00  0.00           C  
HETATM   40  C   UNL     1      11.107   2.423   3.472  1.00  0.00           C  
HETATM   41  C   UNL     1      10.792   2.175   4.794  1.00  0.00           C  
HETATM   42  C   UNL     1      10.294   0.941   5.168  1.00  0.00           C  
HETATM   43  C   UNL     1      10.109  -0.048   4.220  1.00  0.00           C  
HETATM   44  C   UNL     1      10.421   0.194   2.896  1.00  0.00           C  
HETATM   45  N   UNL     1       7.932   0.334  -0.728  1.00  0.00           N  
HETATM   46  N   UNL     1       0.932  -1.303   0.189  1.00  0.00           N  
HETATM   47  N   UNL     1       4.419  -0.102   0.317  1.00  0.00           N  
HETATM   48  N   UNL     1       3.831   2.057  -4.253  1.00  0.00           N  
HETATM   49  N   UNL     1      13.728  -1.833  -0.637  1.00  0.00           N  
HETATM   50  N   UNL     1      14.449  -3.143  -2.410  1.00  0.00           N  
HETATM   51  N   UNL     1      15.915  -2.776  -0.650  1.00  0.00           N  
HETATM   52  O   UNL     1       8.825   2.726   1.006  1.00  0.00           O  
HETATM   53  O   UNL     1       2.989  -0.633  -1.294  1.00  0.00           O  
HETATM   54  O   UNL     1       6.903  -0.276   1.141  1.00  0.00           O  
HETATM   55  O   UNL     1      -4.024  -1.261  -0.867  1.00  0.00           O  
HETATM   56  O   UNL     1       3.041  -3.111   1.000  1.00  0.00           O  
HETATM   57  O   UNL     1      11.226   1.674   1.216  1.00  0.00           O  
HETATM   58  P   UNL     1       9.938   1.832   0.262  1.00  0.00           P  
HETATM   59  H   UNL     1      -2.591  -1.360   1.864  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.618  -1.060  -0.874  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.493  -3.306  -0.826  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.400  -3.691   0.657  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.629  -3.117  -2.963  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.798  -4.048   0.589  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.565  -3.799  -4.324  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.733  -4.731  -0.771  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.619  -4.601  -3.228  1.00  0.00           H  
HETATM   68  H   UNL     1       9.151  -0.383   0.821  1.00  0.00           H  
HETATM   69  H   UNL     1       9.754  -1.528  -1.310  1.00  0.00           H  
HETATM   70  H   UNL     1      10.312   0.027  -1.972  1.00  0.00           H  
HETATM   71  H   UNL     1       3.479  -1.650   2.393  1.00  0.00           H  
HETATM   72  H   UNL     1       1.828  -2.310   2.468  1.00  0.00           H  
HETATM   73  H   UNL     1       1.914   0.007   1.500  1.00  0.00           H  
HETATM   74  H   UNL     1       5.265   2.340  -0.257  1.00  0.00           H  
HETATM   75  H   UNL     1       6.104   1.955  -1.779  1.00  0.00           H  
HETATM   76  H   UNL     1       5.386  -0.438  -1.514  1.00  0.00           H  
HETATM   77  H   UNL     1       3.132   1.437  -1.275  1.00  0.00           H  
HETATM   78  H   UNL     1       5.004   0.566  -3.327  1.00  0.00           H  
HETATM   79  H   UNL     1       3.238   0.289  -3.261  1.00  0.00           H  
HETATM   80  H   UNL     1       3.614   4.321  -0.442  1.00  0.00           H  
HETATM   81  H   UNL     1       3.233   6.497  -1.530  1.00  0.00           H  
HETATM   82  H   UNL     1       3.121   6.640  -3.986  1.00  0.00           H  
HETATM   83  H   UNL     1       3.389   4.619  -5.353  1.00  0.00           H  
HETATM   84  H   UNL     1      12.025   0.207  -0.244  1.00  0.00           H  
HETATM   85  H   UNL     1      11.404  -1.245   0.576  1.00  0.00           H  
HETATM   86  H   UNL     1      11.945  -2.607  -1.425  1.00  0.00           H  
HETATM   87  H   UNL     1      12.566  -1.154  -2.245  1.00  0.00           H  
HETATM   88  H   UNL     1       2.734  -4.582   2.418  1.00  0.00           H  
HETATM   89  H   UNL     1       4.385  -3.922   2.343  1.00  0.00           H  
HETATM   90  H   UNL     1       5.940  -4.654   0.628  1.00  0.00           H  
HETATM   91  H   UNL     1       6.593  -6.461  -0.911  1.00  0.00           H  
HETATM   92  H   UNL     1       4.941  -8.156  -1.592  1.00  0.00           H  
HETATM   93  H   UNL     1       2.638  -8.046  -0.729  1.00  0.00           H  
HETATM   94  H   UNL     1       1.985  -6.239   0.811  1.00  0.00           H  
HETATM   95  H   UNL     1      11.497   3.387   3.180  1.00  0.00           H  
HETATM   96  H   UNL     1      10.936   2.946   5.536  1.00  0.00           H  
HETATM   97  H   UNL     1      10.049   0.749   6.202  1.00  0.00           H  
HETATM   98  H   UNL     1       9.719  -1.012   4.514  1.00  0.00           H  
HETATM   99  H   UNL     1      10.276  -0.579   2.156  1.00  0.00           H  
HETATM  100  H   UNL     1       7.862   0.617  -1.653  1.00  0.00           H  
HETATM  101  H   UNL     1       1.000  -1.677  -0.703  1.00  0.00           H  
HETATM  102  H   UNL     1       4.598  -0.018   1.266  1.00  0.00           H  
HETATM  103  H   UNL     1       3.824   1.883  -5.207  1.00  0.00           H  
HETATM  104  H   UNL     1      13.910  -1.425   0.224  1.00  0.00           H  
HETATM  105  H   UNL     1      15.130  -3.680  -2.845  1.00  0.00           H  
HETATM  106  H   UNL     1      16.596  -3.313  -1.086  1.00  0.00           H  
HETATM  107  H   UNL     1      16.097  -2.368   0.211  1.00  0.00           H  
HETATM  108  O   UNL     1      10.338   2.492  -1.001  1.00  0.00           O  
HETATM  109  C   UNL     1       8.995   4.065   0.847  1.00  0.00           C  
HETATM  110  C   UNL     1       8.398   4.719  -0.220  1.00  0.00           C  
HETATM  111  C   UNL     1       8.572   6.080  -0.380  1.00  0.00           C  
HETATM  112  C   UNL     1       9.340   6.790   0.524  1.00  0.00           C  
HETATM  113  C   UNL     1       9.937   6.141   1.589  1.00  0.00           C  
HETATM  114  C   UNL     1       9.761   4.781   1.756  1.00  0.00           C  
HETATM  115  H   UNL     1       7.798   4.165  -0.927  1.00  0.00           H  
HETATM  116  H   UNL     1       8.108   6.590  -1.211  1.00  0.00           H  
HETATM  117  H   UNL     1       9.475   7.854   0.398  1.00  0.00           H  
HETATM  118  H   UNL     1      10.537   6.697   2.293  1.00  0.00           H  
HETATM  119  H   UNL     1      10.227   4.273   2.588  1.00  0.00           H  
HETATM  120  C   UNL     1      -5.108  -0.986   1.211  1.00  0.00           C  
HETATM  121  C   UNL     1      -6.350  -0.829   0.332  1.00  0.00           C  
HETATM  122  C   UNL     1      -7.575  -0.589   1.217  1.00  0.00           C  
HETATM  123  C   UNL     1      -8.817  -0.431   0.338  1.00  0.00           C  
HETATM  124  C   UNL     1     -10.042  -0.192   1.223  1.00  0.00           C  
HETATM  125  N   UNL     1     -11.231  -0.041   0.381  1.00  0.00           N  
HETATM  126  C   UNL     1     -12.434   0.180   0.947  1.00  0.00           C  
HETATM  127  C   UNL     1     -13.657   0.335   0.081  1.00  0.00           C  
HETATM  128  C   UNL     1     -14.882   0.575   0.966  1.00  0.00           C  
HETATM  129  C   UNL     1     -16.124   0.732   0.086  1.00  0.00           C  
HETATM  130  C   UNL     1     -17.348   0.972   0.972  1.00  0.00           C  
HETATM  131  C   UNL     1     -18.591   1.130   0.092  1.00  0.00           C  
HETATM  132  O   UNL     1     -12.532   0.254   2.154  1.00  0.00           O  
HETATM  133  C   UNL     1     -19.861   1.248   0.957  1.00  0.00           C  
HETATM  134  C   UNL     1     -20.878   2.234   0.369  1.00  0.00           C  
HETATM  135  C   UNL     1     -20.386   2.871  -0.946  1.00  0.00           C  
HETATM  136  S   UNL     1     -18.557   2.737  -0.801  1.00  0.00           S  
HETATM  137  N   UNL     1     -22.060   1.404   0.093  1.00  0.00           N  
HETATM  138  C   UNL     1     -21.800   0.139   0.451  1.00  0.00           C  
HETATM  139  N   UNL     1     -20.571  -0.040   0.954  1.00  0.00           N  
HETATM  140  O   UNL     1     -22.607  -0.763   0.333  1.00  0.00           O  
HETATM  141  H   UNL     1      -5.243  -1.835   1.882  1.00  0.00           H  
HETATM  142  H   UNL     1      -4.961  -0.079   1.798  1.00  0.00           H  
HETATM  143  H   UNL     1      -6.215   0.020  -0.339  1.00  0.00           H  
HETATM  144  H   UNL     1      -6.498  -1.735  -0.255  1.00  0.00           H  
HETATM  145  H   UNL     1      -7.710  -1.438   1.888  1.00  0.00           H  
HETATM  146  H   UNL     1      -7.427   0.318   1.804  1.00  0.00           H  
HETATM  147  H   UNL     1      -8.682   0.417  -0.333  1.00  0.00           H  
HETATM  148  H   UNL     1      -8.964  -1.338  -0.249  1.00  0.00           H  
HETATM  149  H   UNL     1     -10.177  -1.040   1.893  1.00  0.00           H  
HETATM  150  H   UNL     1      -9.894   0.715   1.809  1.00  0.00           H  
HETATM  151  H   UNL     1     -11.153  -0.100  -0.584  1.00  0.00           H  
HETATM  152  H   UNL     1     -13.522   1.184  -0.590  1.00  0.00           H  
HETATM  153  H   UNL     1     -13.805  -0.572  -0.506  1.00  0.00           H  
HETATM  154  H   UNL     1     -15.017  -0.274   1.637  1.00  0.00           H  
HETATM  155  H   UNL     1     -14.734   1.482   1.552  1.00  0.00           H  
HETATM  156  H   UNL     1     -15.989   1.581  -0.584  1.00  0.00           H  
HETATM  157  H   UNL     1     -16.271  -0.175  -0.500  1.00  0.00           H  
HETATM  158  H   UNL     1     -17.484   0.123   1.642  1.00  0.00           H  
HETATM  159  H   UNL     1     -17.201   1.879   1.558  1.00  0.00           H  
HETATM  160  H   UNL     1     -18.675   0.298  -0.607  1.00  0.00           H  
HETATM  161  H   UNL     1     -19.599   1.538   1.975  1.00  0.00           H  
HETATM  162  H   UNL     1     -21.116   3.010   1.097  1.00  0.00           H  
HETATM  163  H   UNL     1     -20.747   2.308  -1.806  1.00  0.00           H  
HETATM  164  H   UNL     1     -20.693   3.914  -1.008  1.00  0.00           H  
HETATM  165  H   UNL     1     -22.894   1.721  -0.288  1.00  0.00           H  
HETATM  166  H   UNL     1     -20.208  -0.884   1.265  1.00  0.00           H  
CONECT    1    2   20   59                                            
CONECT    2    5    1    3   60                                       
CONECT    3    2   46    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   61   62                                       
CONECT    6    8    8    7    5                                       
CONECT    7    9    9    6   63                                       
CONECT    8   10    6    6   64                                       
CONECT    9   11    7    7   65                                       
CONECT   10   11   11    8   66                                       
CONECT   11   10   10    9   67                                       
CONECT   12   45   58   13   68                                       
CONECT   13   12   29   69   70                                       
CONECT   14   56   15   71   72                                       
CONECT   15   46   14   16   73                                       
CONECT   16   47   15   53   53                                       
CONECT   17   21   18   74   75                                       
CONECT   18   17   47   19   76                                       
CONECT   19   18   45   54   54                                       
CONECT   20    1   55   55  120                                       
CONECT   21   22   24   17   77                                       
CONECT   22   23   23   25   21                                       
CONECT   23   28   48   22   22                                       
CONECT   24   48   21   78   79                                       
CONECT   25   26   26   22   80                                       
CONECT   26   27   25   25   81                                       
CONECT   27   28   28   26   82                                       
CONECT   28   27   27   23   83                                       
CONECT   29   13   30   84   85                                       
CONECT   30   29   49   86   87                                       
CONECT   31   49   50   50   51                                       
CONECT   32   33   56   88   89                                       
CONECT   33   38   32   34   34                                       
CONECT   34   33   33   35   90                                       
CONECT   35   36   36   34   91                                       
CONECT   36   37   35   35   92                                       
CONECT   37   38   38   36   93                                       
CONECT   38   37   37   33   94                                       
CONECT   39   57   44   44   40                                       
CONECT   40   39   41   41   95                                       
CONECT   41   40   40   42   96                                       
CONECT   42   43   43   41   97                                       
CONECT   43   44   42   42   98                                       
CONECT   44   39   39   43   99                                       
CONECT   45   19   12  100                                            
CONECT   46    3   15  101                                            
CONECT   47   18   16  102                                            
CONECT   48   23   24  103                                            
CONECT   49   30   31  104                                            
CONECT   50   31   31  105                                            
CONECT   51   31  106  107                                            
CONECT   52   58  109                                                 
CONECT   53   16   16                                                 
CONECT   54   19   19                                                 
CONECT   55   20   20                                                 
CONECT   56   32   14                                                 
CONECT   57   39   58                                                 
CONECT   58   57   12   52  108                                       
CONECT   58  108                                                      
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   21                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   48                                                      
CONECT  104   49                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
CONECT  107   51                                                      
CONECT  108   58   58                                                 
CONECT  109   52  110  114  114                                       
CONECT  110  109  111  111  115                                       
CONECT  111  110  110  112  116                                       
CONECT  112  111  113  113  117                                       
CONECT  113  112  112  114  118                                       
CONECT  114  113  109  109  119                                       
CONECT  115  110                                                      
CONECT  116  111                                                      
CONECT  117  112                                                      
CONECT  118  113                                                      
CONECT  119  114                                                      
CONECT  120   20  121  141  142                                       
CONECT  121  120  122  143  144                                       
CONECT  122  121  123  145  146                                       
CONECT  123  122  124  147  148                                       
CONECT  124  123  125  149  150                                       
CONECT  125  124  126  151                                            
CONECT  126  125  127  132  132                                       
CONECT  127  126  128  152  153                                       
CONECT  128  127  129  154  155                                       
CONECT  129  128  130  156  157                                       
CONECT  130  129  131  158  159                                       
CONECT  131  130  133  136  160                                       
CONECT  132  126  126                                                 
CONECT  133  131  134  139  161                                       
CONECT  134  133  135  137  162                                       
CONECT  135  134  136  163  164                                       
CONECT  136  135  131                                                 
CONECT  137  134  138  165                                            
CONECT  138  137  139  140  140                                       
CONECT  139  138  133  166                                            
CONECT  140  138  138                                                 
CONECT  141  120                                                      
CONECT  142  120                                                      
CONECT  143  121                                                      
CONECT  144  121                                                      
CONECT  145  122                                                      
CONECT  146  122                                                      
CONECT  147  123                                                      
CONECT  148  123                                                      
CONECT  149  124                                                      
CONECT  150  124                                                      
CONECT  151  125                                                      
CONECT  152  127                                                      
CONECT  153  127                                                      
CONECT  154  128                                                      
CONECT  155  128                                                      
CONECT  156  129                                                      
CONECT  157  129                                                      
CONECT  158  130                                                      
CONECT  159  130                                                      
CONECT  160  131                                                      
CONECT  161  133                                                      
CONECT  162  134                                                      
CONECT  163  135                                                      
CONECT  164  135                                                      
CONECT  165  137                                                      
CONECT  166  139                                                      
MASTER        0    0    0    0    0    0    0    0  166    0  166    0
END
