COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.508  -4.485  -3.562  1.00  0.00           N  
HETATM    2  C   UNL     1       3.712  -4.057  -3.134  1.00  0.00           C  
HETATM    3  C   UNL     1       4.256  -4.536  -1.812  1.00  0.00           C  
HETATM    4  C   UNL     1       5.628  -3.904  -1.566  1.00  0.00           C  
HETATM    5  C   UNL     1       6.180  -4.390  -0.225  1.00  0.00           C  
HETATM    6  C   UNL     1       7.551  -3.758   0.022  1.00  0.00           C  
HETATM    7  C   UNL     1       8.104  -4.244   1.363  1.00  0.00           C  
HETATM    8  C   UNL     1       9.475  -3.612   1.609  1.00  0.00           C  
HETATM    9  C   UNL     1      10.027  -4.098   2.951  1.00  0.00           C  
HETATM   10  C   UNL     1      11.399  -3.467   3.197  1.00  0.00           C  
HETATM   11  C   UNL     1      11.951  -3.953   4.538  1.00  0.00           C  
HETATM   12  C   UNL     1      13.323  -3.321   4.784  1.00  0.00           C  
HETATM   13  C   UNL     1      13.875  -3.807   6.126  1.00  0.00           C  
HETATM   14  C   UNL     1      15.247  -3.175   6.372  1.00  0.00           C  
HETATM   15  C   UNL     1      15.799  -3.661   7.713  1.00  0.00           C  
HETATM   16  C   UNL     1      17.170  -3.029   7.959  1.00  0.00           C  
HETATM   17  C   UNL     1      17.722  -3.515   9.301  1.00  0.00           C  
HETATM   18  O   UNL     1       4.358  -3.286  -3.812  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.220  -2.591  -2.772  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.886  -1.805  -1.748  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.216  -1.951  -1.636  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.975  -1.168  -0.596  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.462  -1.517  -0.680  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.233  -0.722   0.376  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.720  -1.071   0.293  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.491  -0.276   1.348  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.978  -0.625   1.265  1.00  0.00           C  
HETATM   28  C   UNL     1     -13.748   0.170   2.321  1.00  0.00           C  
HETATM   29  C   UNL     1     -15.236  -0.179   2.237  1.00  0.00           C  
HETATM   30  C   UNL     1     -16.006   0.616   3.293  1.00  0.00           C  
HETATM   31  C   UNL     1     -17.494   0.267   3.209  1.00  0.00           C  
HETATM   32  C   UNL     1     -18.264   1.062   4.265  1.00  0.00           C  
HETATM   33  C   UNL     1     -19.752   0.713   4.182  1.00  0.00           C  
HETATM   34  C   UNL     1     -20.522   1.508   5.237  1.00  0.00           C  
HETATM   35  C   UNL     1     -22.010   1.159   5.154  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.804  -2.711  -2.369  1.00  0.00           O  
HETATM   37  C   UNL     1     -22.780   1.954   6.210  1.00  0.00           C  
HETATM   38  C   UNL     1       1.982  -4.025  -4.849  1.00  0.00           C  
HETATM   39  C   UNL     1       0.455  -4.115  -4.838  1.00  0.00           C  
HETATM   40  S   UNL     1      -0.210  -2.961  -3.607  1.00  0.00           S  
HETATM   41  C   UNL     1      -2.002  -3.210  -3.740  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.720  -2.292  -2.749  1.00  0.00           C  
HETATM   43  O   UNL     1      -2.496  -0.907  -3.122  1.00  0.00           O  
HETATM   44  C   UNL     1      -1.422  -0.300  -2.593  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.125   1.138  -2.935  1.00  0.00           C  
HETATM   46  C   UNL     1       0.144   1.584  -2.206  1.00  0.00           C  
HETATM   47  C   UNL     1       0.445   3.043  -2.552  1.00  0.00           C  
HETATM   48  C   UNL     1       1.714   3.489  -1.823  1.00  0.00           C  
HETATM   49  C   UNL     1       2.016   4.948  -2.170  1.00  0.00           C  
HETATM   50  C   UNL     1       3.285   5.394  -1.441  1.00  0.00           C  
HETATM   51  C   UNL     1       3.586   6.853  -1.788  1.00  0.00           C  
HETATM   52  C   UNL     1       4.855   7.299  -1.059  1.00  0.00           C  
HETATM   53  C   UNL     1       5.157   8.759  -1.406  1.00  0.00           C  
HETATM   54  C   UNL     1       6.426   9.205  -0.677  1.00  0.00           C  
HETATM   55  C   UNL     1       6.727  10.664  -1.023  1.00  0.00           C  
HETATM   56  C   UNL     1       7.996  11.110  -0.294  1.00  0.00           C  
HETATM   57  C   UNL     1       8.297  12.569  -0.641  1.00  0.00           C  
HETATM   58  C   UNL     1       9.566  13.015   0.088  1.00  0.00           C  
HETATM   59  C   UNL     1       9.868  14.474  -0.259  1.00  0.00           C  
HETATM   60  C   UNL     1       2.529  -4.891  -5.954  1.00  0.00           C  
HETATM   61  N   UNL     1       2.179  -4.652  -7.234  1.00  0.00           N  
HETATM   62  O   UNL     1       3.283  -5.804  -5.692  1.00  0.00           O  
HETATM   63  O   UNL     1      -0.693  -0.905  -1.844  1.00  0.00           O  
HETATM   64  H   UNL     1       1.992  -5.102  -3.019  1.00  0.00           H  
HETATM   65  H   UNL     1       3.574  -4.247  -1.012  1.00  0.00           H  
HETATM   66  H   UNL     1       4.354  -5.621  -1.831  1.00  0.00           H  
HETATM   67  H   UNL     1       6.310  -4.193  -2.366  1.00  0.00           H  
HETATM   68  H   UNL     1       5.530  -2.819  -1.547  1.00  0.00           H  
HETATM   69  H   UNL     1       5.498  -4.101   0.575  1.00  0.00           H  
HETATM   70  H   UNL     1       6.278  -5.475  -0.244  1.00  0.00           H  
HETATM   71  H   UNL     1       8.233  -4.047  -0.778  1.00  0.00           H  
HETATM   72  H   UNL     1       7.453  -2.673   0.041  1.00  0.00           H  
HETATM   73  H   UNL     1       7.422  -3.955   2.163  1.00  0.00           H  
HETATM   74  H   UNL     1       8.202  -5.330   1.344  1.00  0.00           H  
HETATM   75  H   UNL     1      10.157  -3.901   0.809  1.00  0.00           H  
HETATM   76  H   UNL     1       9.377  -2.527   1.628  1.00  0.00           H  
HETATM   77  H   UNL     1       9.345  -3.809   3.750  1.00  0.00           H  
HETATM   78  H   UNL     1      10.126  -5.184   2.931  1.00  0.00           H  
HETATM   79  H   UNL     1      12.081  -3.756   2.397  1.00  0.00           H  
HETATM   80  H   UNL     1      11.301  -2.381   3.216  1.00  0.00           H  
HETATM   81  H   UNL     1      11.269  -3.664   5.338  1.00  0.00           H  
HETATM   82  H   UNL     1      12.049  -5.038   4.519  1.00  0.00           H  
HETATM   83  H   UNL     1      14.005  -3.610   3.984  1.00  0.00           H  
HETATM   84  H   UNL     1      13.225  -2.236   4.803  1.00  0.00           H  
HETATM   85  H   UNL     1      13.193  -3.518   6.925  1.00  0.00           H  
HETATM   86  H   UNL     1      13.973  -4.892   6.107  1.00  0.00           H  
HETATM   87  H   UNL     1      15.928  -3.464   5.572  1.00  0.00           H  
HETATM   88  H   UNL     1      15.148  -2.090   6.391  1.00  0.00           H  
HETATM   89  H   UNL     1      15.117  -3.372   8.513  1.00  0.00           H  
HETATM   90  H   UNL     1      15.897  -4.747   7.694  1.00  0.00           H  
HETATM   91  H   UNL     1      17.852  -3.318   7.160  1.00  0.00           H  
HETATM   92  H   UNL     1      17.072  -1.944   7.979  1.00  0.00           H  
HETATM   93  H   UNL     1      18.699  -3.065   9.476  1.00  0.00           H  
HETATM   94  H   UNL     1      17.041  -3.226  10.101  1.00  0.00           H  
HETATM   95  H   UNL     1      17.820  -4.601   9.282  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.383  -3.651  -2.579  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.627  -2.333  -3.750  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.597  -1.419   0.395  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.841  -0.101  -0.776  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.839  -1.265  -1.671  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.595  -2.584  -0.500  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.855  -0.973   1.367  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.099   0.345   0.197  1.00  0.00           H  
HETATM  104  H   UNL     1     -11.097  -0.820  -0.699  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.853  -2.138   0.472  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.113  -0.527   2.340  1.00  0.00           H  
HETATM  107  H   UNL     1     -11.357   0.791   1.169  1.00  0.00           H  
HETATM  108  H   UNL     1     -13.355  -0.374   0.274  1.00  0.00           H  
HETATM  109  H   UNL     1     -13.111  -1.692   1.444  1.00  0.00           H  
HETATM  110  H   UNL     1     -13.371  -0.081   3.312  1.00  0.00           H  
HETATM  111  H   UNL     1     -13.615   1.237   2.141  1.00  0.00           H  
HETATM  112  H   UNL     1     -15.613   0.072   1.246  1.00  0.00           H  
HETATM  113  H   UNL     1     -15.369  -1.246   2.417  1.00  0.00           H  
HETATM  114  H   UNL     1     -15.629   0.365   4.284  1.00  0.00           H  
HETATM  115  H   UNL     1     -15.873   1.683   3.113  1.00  0.00           H  
HETATM  116  H   UNL     1     -17.871   0.518   2.218  1.00  0.00           H  
HETATM  117  H   UNL     1     -17.627  -0.800   3.389  1.00  0.00           H  
HETATM  118  H   UNL     1     -17.887   0.811   5.256  1.00  0.00           H  
HETATM  119  H   UNL     1     -18.131   2.129   4.085  1.00  0.00           H  
HETATM  120  H   UNL     1     -20.129   0.964   3.190  1.00  0.00           H  
HETATM  121  H   UNL     1     -19.885  -0.354   4.361  1.00  0.00           H  
HETATM  122  H   UNL     1     -20.145   1.257   6.229  1.00  0.00           H  
HETATM  123  H   UNL     1     -20.389   2.575   5.058  1.00  0.00           H  
HETATM  124  H   UNL     1     -22.387   1.410   4.163  1.00  0.00           H  
HETATM  125  H   UNL     1     -22.143   0.092   5.333  1.00  0.00           H  
HETATM  126  H   UNL     1     -22.647   3.021   6.030  1.00  0.00           H  
HETATM  127  H   UNL     1     -23.840   1.705   6.150  1.00  0.00           H  
HETATM  128  H   UNL     1     -22.403   1.702   7.201  1.00  0.00           H  
HETATM  129  H   UNL     1       2.284  -2.990  -5.015  1.00  0.00           H  
HETATM  130  H   UNL     1       0.068  -3.858  -5.824  1.00  0.00           H  
HETATM  131  H   UNL     1       0.153  -5.131  -4.583  1.00  0.00           H  
HETATM  132  H   UNL     1      -2.327  -2.975  -4.754  1.00  0.00           H  
HETATM  133  H   UNL     1      -2.242  -4.249  -3.513  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.330  -2.466  -1.745  1.00  0.00           H  
HETATM  135  H   UNL     1      -0.979   1.233  -4.011  1.00  0.00           H  
HETATM  136  H   UNL     1      -1.961   1.765  -2.625  1.00  0.00           H  
HETATM  137  H   UNL     1      -0.003   1.489  -1.130  1.00  0.00           H  
HETATM  138  H   UNL     1       0.980   0.956  -2.515  1.00  0.00           H  
HETATM  139  H   UNL     1       0.592   3.138  -3.628  1.00  0.00           H  
HETATM  140  H   UNL     1      -0.391   3.670  -2.243  1.00  0.00           H  
HETATM  141  H   UNL     1       1.568   3.394  -0.748  1.00  0.00           H  
HETATM  142  H   UNL     1       2.550   2.862  -2.133  1.00  0.00           H  
HETATM  143  H   UNL     1       2.162   5.043  -3.246  1.00  0.00           H  
HETATM  144  H   UNL     1       1.180   5.575  -1.861  1.00  0.00           H  
HETATM  145  H   UNL     1       3.138   5.299  -0.365  1.00  0.00           H  
HETATM  146  H   UNL     1       4.121   4.767  -1.751  1.00  0.00           H  
HETATM  147  H   UNL     1       3.733   6.948  -2.864  1.00  0.00           H  
HETATM  148  H   UNL     1       2.750   7.481  -1.479  1.00  0.00           H  
HETATM  149  H   UNL     1       4.709   7.204   0.017  1.00  0.00           H  
HETATM  150  H   UNL     1       5.691   6.672  -1.368  1.00  0.00           H  
HETATM  151  H   UNL     1       5.303   8.854  -2.482  1.00  0.00           H  
HETATM  152  H   UNL     1       4.320   9.386  -1.096  1.00  0.00           H  
HETATM  153  H   UNL     1       6.279   9.110   0.399  1.00  0.00           H  
HETATM  154  H   UNL     1       7.262   8.578  -0.986  1.00  0.00           H  
HETATM  155  H   UNL     1       6.874  10.759  -2.099  1.00  0.00           H  
HETATM  156  H   UNL     1       5.891  11.291  -0.714  1.00  0.00           H  
HETATM  157  H   UNL     1       7.849  11.015   0.781  1.00  0.00           H  
HETATM  158  H   UNL     1       8.832  10.483  -0.604  1.00  0.00           H  
HETATM  159  H   UNL     1       8.444  12.664  -1.717  1.00  0.00           H  
HETATM  160  H   UNL     1       7.461  13.196  -0.332  1.00  0.00           H  
HETATM  161  H   UNL     1       9.420  12.920   1.164  1.00  0.00           H  
HETATM  162  H   UNL     1      10.403  12.388  -0.222  1.00  0.00           H  
HETATM  163  H   UNL     1      10.772  14.792   0.260  1.00  0.00           H  
HETATM  164  H   UNL     1      10.015  14.569  -1.335  1.00  0.00           H  
HETATM  165  H   UNL     1       9.032  15.102   0.051  1.00  0.00           H  
HETATM  166  H   UNL     1       1.576  -3.922  -7.443  1.00  0.00           H  
HETATM  167  H   UNL     1       2.531  -5.210  -7.945  1.00  0.00           H  
CONECT    1    2   38   64                                            
CONECT    2   18   18    3    1                                       
CONECT    3    2    4   65   66                                       
CONECT    4    3    5   67   68                                       
CONECT    5    4    6   69   70                                       
CONECT    6    5    7   71   72                                       
CONECT    7    6    8   73   74                                       
CONECT    8    7    9   75   76                                       
CONECT    9    8   10   77   78                                       
CONECT   10    9   11   79   80                                       
CONECT   11   10   12   81   82                                       
CONECT   12   11   13   83   84                                       
CONECT   13   12   14   85   86                                       
CONECT   14   13   15   87   88                                       
CONECT   15   14   16   89   90                                       
CONECT   16   15   17   91   92                                       
CONECT   17   16   93   94   95                                       
CONECT   18    2    2                                                 
CONECT   19   42   20   96   97                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   36   36                                       
CONECT   22   21   23   98   99                                       
CONECT   23   22   24  100  101                                       
CONECT   24   23   25  102  103                                       
CONECT   25   24   26  104  105                                       
CONECT   26   25   27  106  107                                       
CONECT   27   26   28  108  109                                       
CONECT   28   27   29  110  111                                       
CONECT   29   28   30  112  113                                       
CONECT   30   29   31  114  115                                       
CONECT   31   30   32  116  117                                       
CONECT   32   31   33  118  119                                       
CONECT   33   32   34  120  121                                       
CONECT   34   33   35  122  123                                       
CONECT   35   37   34  124  125                                       
CONECT   36   21   21                                                 
CONECT   37   35  126  127  128                                       
CONECT   38   60    1   39  129                                       
CONECT   39   38   40  130  131                                       
CONECT   40   39   41                                                 
CONECT   41   40   42  132  133                                       
CONECT   42   41   43   19  134                                       
CONECT   43   44   42                                                 
CONECT   44   45   43   63   63                                       
CONECT   45   46   44  135  136                                       
CONECT   46   45   47  137  138                                       
CONECT   47   46   48  139  140                                       
CONECT   48   47   49  141  142                                       
CONECT   49   48   50  143  144                                       
CONECT   50   49   51  145  146                                       
CONECT   51   50   52  147  148                                       
CONECT   52   51   53  149  150                                       
CONECT   53   52   54  151  152                                       
CONECT   54   53   55  153  154                                       
CONECT   55   54   56  155  156                                       
CONECT   56   55   57  157  158                                       
CONECT   57   58   56  159  160                                       
CONECT   58   57   59  161  162                                       
CONECT   59   58  163  164  165                                       
CONECT   60   61   62   62   38                                       
CONECT   61   60  166  167                                            
CONECT   62   60   60                                                 
CONECT   63   44   44                                                 
CONECT   64    1                                                      
CONECT   65    3                                                      
CONECT   66    3                                                      
CONECT   67    4                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    6                                                      
CONECT   73    7                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    8                                                      
CONECT   77    9                                                      
CONECT   78    9                                                      
CONECT   79   10                                                      
CONECT   80   10                                                      
CONECT   81   11                                                      
CONECT   82   11                                                      
CONECT   83   12                                                      
CONECT   84   12                                                      
CONECT   85   13                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   14                                                      
CONECT   89   15                                                      
CONECT   90   15                                                      
CONECT   91   16                                                      
CONECT   92   16                                                      
CONECT   93   17                                                      
CONECT   94   17                                                      
CONECT   95   17                                                      
CONECT   96   19                                                      
CONECT   97   19                                                      
CONECT   98   22                                                      
CONECT   99   22                                                      
CONECT  100   23                                                      
CONECT  101   23                                                      
CONECT  102   24                                                      
CONECT  103   24                                                      
CONECT  104   25                                                      
CONECT  105   25                                                      
CONECT  106   26                                                      
CONECT  107   26                                                      
CONECT  108   27                                                      
CONECT  109   27                                                      
CONECT  110   28                                                      
CONECT  111   28                                                      
CONECT  112   29                                                      
CONECT  113   29                                                      
CONECT  114   30                                                      
CONECT  115   30                                                      
CONECT  116   31                                                      
CONECT  117   31                                                      
CONECT  118   32                                                      
CONECT  119   32                                                      
CONECT  120   33                                                      
CONECT  121   33                                                      
CONECT  122   34                                                      
CONECT  123   34                                                      
CONECT  124   35                                                      
CONECT  125   35                                                      
CONECT  126   37                                                      
CONECT  127   37                                                      
CONECT  128   37                                                      
CONECT  129   38                                                      
CONECT  130   39                                                      
CONECT  131   39                                                      
CONECT  132   41                                                      
CONECT  133   41                                                      
CONECT  134   42                                                      
CONECT  135   45                                                      
CONECT  136   45                                                      
CONECT  137   46                                                      
CONECT  138   46                                                      
CONECT  139   47                                                      
CONECT  140   47                                                      
CONECT  141   48                                                      
CONECT  142   48                                                      
CONECT  143   49                                                      
CONECT  144   49                                                      
CONECT  145   50                                                      
CONECT  146   50                                                      
CONECT  147   51                                                      
CONECT  148   51                                                      
CONECT  149   52                                                      
CONECT  150   52                                                      
CONECT  151   53                                                      
CONECT  152   53                                                      
CONECT  153   54                                                      
CONECT  154   54                                                      
CONECT  155   55                                                      
CONECT  156   55                                                      
CONECT  157   56                                                      
CONECT  158   56                                                      
CONECT  159   57                                                      
CONECT  160   57                                                      
CONECT  161   58                                                      
CONECT  162   58                                                      
CONECT  163   59                                                      
CONECT  164   59                                                      
CONECT  165   59                                                      
CONECT  166   61                                                      
CONECT  167   61                                                      
MASTER        0    0    0    0    0    0    0    0  167    0  167    0
END
