COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.598   2.632  -2.212  1.00  0.00           O  
HETATM    2  C   UNL     1       8.141   1.495  -2.886  1.00  0.00           C  
HETATM    3  C   UNL     1       8.965   0.684  -1.919  1.00  0.00           C  
HETATM    4  O   UNL     1       9.002   0.992  -0.751  1.00  0.00           O  
HETATM    5  O   UNL     1       9.657  -0.380  -2.355  1.00  0.00           O  
HETATM    6  C   UNL     1       7.001   0.632  -3.432  1.00  0.00           C  
HETATM    7  O   UNL     1       6.243   0.100  -2.344  1.00  0.00           O  
HETATM    8  P   UNL     1       4.964  -0.855  -2.551  1.00  0.00           P  
HETATM    9  O   UNL     1       3.793  -0.032  -3.288  1.00  0.00           O  
HETATM   10  O   UNL     1       5.347  -2.019  -3.382  1.00  0.00           O  
HETATM   11  O   UNL     1       4.440  -1.368  -1.118  1.00  0.00           O  
HETATM   12  C   UNL     1       3.381  -2.317  -0.971  1.00  0.00           C  
HETATM   13  O   UNL     1       3.924  -3.638  -0.952  1.00  0.00           O  
HETATM   14  C   UNL     1       4.870  -3.866   0.094  1.00  0.00           C  
HETATM   15  C   UNL     1       5.394  -5.276  -0.001  1.00  0.00           C  
HETATM   16  O   UNL     1       4.832  -6.086  -0.708  1.00  0.00           O  
HETATM   17  N   UNL     1       6.487  -5.637   0.701  1.00  0.00           N  
HETATM   18  C   UNL     1       4.188  -3.665   1.449  1.00  0.00           C  
HETATM   19  O   UNL     1       5.145  -3.837   2.496  1.00  0.00           O  
HETATM   20  C   UNL     1       3.063  -4.689   1.613  1.00  0.00           C  
HETATM   21  C   UNL     1       3.605  -2.250   1.514  1.00  0.00           C  
HETATM   22  O   UNL     1       2.892  -2.075   2.767  1.00  0.00           O  
HETATM   23  C   UNL     1       3.122  -0.936   3.447  1.00  0.00           C  
HETATM   24  O   UNL     1       3.861  -0.090   2.984  1.00  0.00           O  
HETATM   25  N   UNL     1       2.532  -0.735   4.643  1.00  0.00           N  
HETATM   26  C   UNL     1       2.639  -2.053   0.342  1.00  0.00           C  
HETATM   27  O   UNL     1       2.144  -0.712   0.351  1.00  0.00           O  
HETATM   28  C   UNL     1       0.877  -0.564   0.993  1.00  0.00           C  
HETATM   29  C   UNL     1       0.493   0.917   1.030  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.893   1.062   1.666  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.291   2.434   1.638  1.00  0.00           O  
HETATM   32  N   UNL     1       1.476   1.658   1.824  1.00  0.00           N  
HETATM   33  C   UNL     1       2.554   2.202   1.226  1.00  0.00           C  
HETATM   34  C   UNL     1       3.617   2.875   2.055  1.00  0.00           C  
HETATM   35  O   UNL     1       2.668   2.150   0.020  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.114  -1.294   0.267  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.421  -1.234   0.842  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.388  -2.070   0.000  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.003  -3.445   0.058  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.897   0.220   0.872  1.00  0.00           C  
HETATM   41  O   UNL     1      -3.180   0.290   1.499  1.00  0.00           O  
HETATM   42  C   UNL     1      -2.845  -4.317  -0.699  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.158  -4.321  -0.133  1.00  0.00           O  
HETATM   44  C   UNL     1      -5.092  -5.145  -0.833  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.462  -5.050  -0.158  1.00  0.00           C  
HETATM   46  O   UNL     1      -6.964  -3.718  -0.285  1.00  0.00           O  
HETATM   47  C   UNL     1      -4.609  -6.598  -0.806  1.00  0.00           C  
HETATM   48  O   UNL     1      -5.512  -7.415  -1.554  1.00  0.00           O  
HETATM   49  C   UNL     1      -3.212  -6.675  -1.429  1.00  0.00           C  
HETATM   50  O   UNL     1      -2.723  -8.015  -1.341  1.00  0.00           O  
HETATM   51  C   UNL     1      -2.272  -5.736  -0.667  1.00  0.00           C  
HETATM   52  O   UNL     1      -0.984  -5.745  -1.284  1.00  0.00           O  
HETATM   53  C   UNL     1      -4.268   0.430   0.583  1.00  0.00           C  
HETATM   54  C   UNL     1      -5.591   0.238   1.329  1.00  0.00           C  
HETATM   55  C   UNL     1      -6.753   0.449   0.354  1.00  0.00           C  
HETATM   56  O   UNL     1      -7.992   0.345   1.057  1.00  0.00           O  
HETATM   57  N   UNL     1      -5.651  -1.118   1.879  1.00  0.00           N  
HETATM   58  C   UNL     1      -5.088  -1.387   3.073  1.00  0.00           C  
HETATM   59  C   UNL     1      -5.150  -2.783   3.639  1.00  0.00           C  
HETATM   60  O   UNL     1      -4.532  -0.506   3.694  1.00  0.00           O  
HETATM   61  O   UNL     1      -4.235   1.734   0.001  1.00  0.00           O  
HETATM   62  C   UNL     1      -5.271   1.972  -0.955  1.00  0.00           C  
HETATM   63  C   UNL     1      -5.120   3.382  -1.530  1.00  0.00           C  
HETATM   64  C   UNL     1      -6.634   1.842  -0.271  1.00  0.00           C  
HETATM   65  O   UNL     1      -7.672   2.023  -1.237  1.00  0.00           O  
HETATM   66  C   UNL     1      -8.269   3.321  -1.213  1.00  0.00           C  
HETATM   67  O   UNL     1      -8.978   3.497   0.016  1.00  0.00           O  
HETATM   68  C   UNL     1      -9.243   3.457  -2.386  1.00  0.00           C  
HETATM   69  O   UNL     1      -8.527   3.339  -3.617  1.00  0.00           O  
HETATM   70  C   UNL     1      -9.923   4.827  -2.319  1.00  0.00           C  
HETATM   71  O   UNL     1     -10.886   4.935  -3.370  1.00  0.00           O  
HETATM   72  C   UNL     1     -10.622   4.972  -0.964  1.00  0.00           C  
HETATM   73  O   UNL     1     -11.648   3.984  -0.847  1.00  0.00           O  
HETATM   74  C   UNL     1      -9.595   4.778   0.155  1.00  0.00           C  
HETATM   75  C   UNL     1     -10.286   4.861   1.492  1.00  0.00           C  
HETATM   76  O   UNL     1     -10.331   3.887   2.212  1.00  0.00           O  
HETATM   77  N   UNL     1     -10.853   6.018   1.886  1.00  0.00           N  
HETATM   78  C   UNL     1       7.767   4.921  -1.520  1.00  0.00           C  
HETATM   79  C   UNL     1       8.467   5.682  -0.716  1.00  0.00           C  
HETATM   80  C   UNL     1      12.284   4.665   1.884  1.00  0.00           C  
HETATM   81  C   UNL     1      11.675   4.285   0.788  1.00  0.00           C  
HETATM   82  C   UNL     1      13.724   4.287   2.115  1.00  0.00           C  
HETATM   83  C   UNL     1      10.194   4.517   0.630  1.00  0.00           C  
HETATM   84  C   UNL     1      11.544   5.479   2.914  1.00  0.00           C  
HETATM   85  C   UNL     1       9.948   5.450  -0.558  1.00  0.00           C  
HETATM   86  C   UNL     1       8.435   3.789  -2.257  1.00  0.00           C  
HETATM   87  C   UNL     1       7.792   6.790   0.051  1.00  0.00           C  
HETATM   88  H   UNL     1       8.772   1.828  -3.710  1.00  0.00           H  
HETATM   89  H   UNL     1      10.171  -0.869  -1.697  1.00  0.00           H  
HETATM   90  H   UNL     1       6.354   1.243  -4.062  1.00  0.00           H  
HETATM   91  H   UNL     1       7.415  -0.186  -4.021  1.00  0.00           H  
HETATM   92  H   UNL     1       3.491   0.746  -2.799  1.00  0.00           H  
HETATM   93  H   UNL     1       2.687  -2.220  -1.806  1.00  0.00           H  
HETATM   94  H   UNL     1       5.697  -3.163  -0.005  1.00  0.00           H  
HETATM   95  H   UNL     1       6.893  -5.012   1.322  1.00  0.00           H  
HETATM   96  H   UNL     1       6.868  -6.521   0.584  1.00  0.00           H  
HETATM   97  H   UNL     1       5.556  -4.712   2.514  1.00  0.00           H  
HETATM   98  H   UNL     1       3.477  -5.696   1.561  1.00  0.00           H  
HETATM   99  H   UNL     1       2.577  -4.545   2.578  1.00  0.00           H  
HETATM  100  H   UNL     1       2.332  -4.556   0.815  1.00  0.00           H  
HETATM  101  H   UNL     1       4.412  -1.520   1.449  1.00  0.00           H  
HETATM  102  H   UNL     1       2.001  -1.439   5.046  1.00  0.00           H  
HETATM  103  H   UNL     1       2.639   0.114   5.099  1.00  0.00           H  
HETATM  104  H   UNL     1       1.806  -2.750   0.436  1.00  0.00           H  
HETATM  105  H   UNL     1       0.938  -0.949   2.011  1.00  0.00           H  
HETATM  106  H   UNL     1       0.471   1.313   0.015  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.859   0.713   2.698  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.695   3.026   2.116  1.00  0.00           H  
HETATM  109  H   UNL     1       1.351   1.757   2.781  1.00  0.00           H  
HETATM  110  H   UNL     1       3.388   2.747   3.113  1.00  0.00           H  
HETATM  111  H   UNL     1       4.586   2.427   1.837  1.00  0.00           H  
HETATM  112  H   UNL     1       3.645   3.938   1.816  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.390  -1.628   1.858  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.399  -1.959   0.391  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.358  -1.728  -1.034  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.968   0.602  -0.146  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.896  -3.968  -1.730  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.172  -4.808  -1.866  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.152  -5.745  -0.636  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.365  -5.303   0.898  1.00  0.00           H  
HETATM  121  H   UNL     1      -7.831  -3.584   0.121  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.568  -6.949   0.225  1.00  0.00           H  
HETATM  123  H   UNL     1      -5.267  -8.350  -1.579  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.262  -6.371  -2.474  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.841  -8.137  -1.718  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.184  -6.069   0.367  1.00  0.00           H  
HETATM  127  H   UNL     1      -0.336  -5.171  -0.853  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.181  -0.321  -0.202  1.00  0.00           H  
HETATM  129  H   UNL     1      -5.660   0.963   2.140  1.00  0.00           H  
HETATM  130  H   UNL     1      -6.712  -0.307  -0.430  1.00  0.00           H  
HETATM  131  H   UNL     1      -8.131  -0.512   1.485  1.00  0.00           H  
HETATM  132  H   UNL     1      -6.096  -1.823   1.383  1.00  0.00           H  
HETATM  133  H   UNL     1      -5.685  -3.432   2.946  1.00  0.00           H  
HETATM  134  H   UNL     1      -4.139  -3.161   3.784  1.00  0.00           H  
HETATM  135  H   UNL     1      -5.672  -2.764   4.596  1.00  0.00           H  
HETATM  136  H   UNL     1      -5.197   1.241  -1.760  1.00  0.00           H  
HETATM  137  H   UNL     1      -4.110   3.510  -1.918  1.00  0.00           H  
HETATM  138  H   UNL     1      -5.839   3.524  -2.337  1.00  0.00           H  
HETATM  139  H   UNL     1      -5.305   4.116  -0.746  1.00  0.00           H  
HETATM  140  H   UNL     1      -6.725   2.600   0.508  1.00  0.00           H  
HETATM  141  H   UNL     1      -7.492   4.080  -1.296  1.00  0.00           H  
HETATM  142  H   UNL     1      -9.997   2.671  -2.327  1.00  0.00           H  
HETATM  143  H   UNL     1      -8.066   2.495  -3.725  1.00  0.00           H  
HETATM  144  H   UNL     1      -9.174   5.612  -2.429  1.00  0.00           H  
HETATM  145  H   UNL     1     -11.356   5.780  -3.387  1.00  0.00           H  
HETATM  146  H   UNL     1     -11.062   5.967  -0.886  1.00  0.00           H  
HETATM  147  H   UNL     1     -12.133   4.018  -0.012  1.00  0.00           H  
HETATM  148  H   UNL     1      -8.835   5.557   0.089  1.00  0.00           H  
HETATM  149  H   UNL     1     -10.817   6.797   1.310  1.00  0.00           H  
HETATM  150  H   UNL     1     -11.298   6.071   2.747  1.00  0.00           H  
HETATM  151  H   UNL     1       6.712   5.104  -1.654  1.00  0.00           H  
HETATM  152  H   UNL     1      12.233   3.805  -0.002  1.00  0.00           H  
HETATM  153  H   UNL     1      13.771   3.332   2.637  1.00  0.00           H  
HETATM  154  H   UNL     1      14.236   4.202   1.156  1.00  0.00           H  
HETATM  155  H   UNL     1      14.209   5.055   2.717  1.00  0.00           H  
HETATM  156  H   UNL     1       9.694   3.565   0.453  1.00  0.00           H  
HETATM  157  H   UNL     1       9.799   4.972   1.538  1.00  0.00           H  
HETATM  158  H   UNL     1      10.559   5.743   2.529  1.00  0.00           H  
HETATM  159  H   UNL     1      11.433   4.895   3.827  1.00  0.00           H  
HETATM  160  H   UNL     1      12.105   6.388   3.129  1.00  0.00           H  
HETATM  161  H   UNL     1      10.343   4.995  -1.465  1.00  0.00           H  
HETATM  162  H   UNL     1      10.448   6.402  -0.381  1.00  0.00           H  
HETATM  163  H   UNL     1       9.392   3.563  -1.787  1.00  0.00           H  
HETATM  164  H   UNL     1       8.599   4.078  -3.295  1.00  0.00           H  
HETATM  165  H   UNL     1       7.445   6.408   1.011  1.00  0.00           H  
HETATM  166  H   UNL     1       8.501   7.601   0.217  1.00  0.00           H  
HETATM  167  H   UNL     1       6.942   7.162  -0.521  1.00  0.00           H  
CONECT    1   86    2                                                 
CONECT    2    1    3    6   88                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   89                                                 
CONECT    6    2    7   90   91                                       
CONECT    7    6    8                                                 
CONECT    8    7   10   10    9                                       
CONECT    8   11                                                      
CONECT    9    8   92                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   26   93                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   18   94                                       
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   95   96                                            
CONECT   18   14   20   19   21                                       
CONECT   19   18   97                                                 
CONECT   20   18   98   99  100                                       
CONECT   21   18   26   22  101                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23  102  103                                            
CONECT   26   12   21   27  104                                       
CONECT   27   26   28                                                 
CONECT   28   27   36   29  105                                       
CONECT   29   28   30   32  106                                       
CONECT   30   29   40   31  107                                       
CONECT   31   30  108                                                 
CONECT   32   29   33  109                                            
CONECT   33   32   35   35   34                                       
CONECT   34   33  110  111  112                                       
CONECT   35   33   33                                                 
CONECT   36   28   37                                                 
CONECT   37   36   38   40  113                                       
CONECT   38   37   39  114  115                                       
CONECT   39   38   42                                                 
CONECT   40   30   37   41  116                                       
CONECT   41   40   53                                                 
CONECT   42   39   43   51  117                                       
CONECT   43   42   44                                                 
CONECT   44   43   45   47  118                                       
CONECT   45   44   46  119  120                                       
CONECT   46   45  121                                                 
CONECT   47   44   48   49  122                                       
CONECT   48   47  123                                                 
CONECT   49   47   50   51  124                                       
CONECT   50   49  125                                                 
CONECT   51   42   49   52  126                                       
CONECT   52   51  127                                                 
CONECT   53   41   54   61  128                                       
CONECT   54   53   57   55  129                                       
CONECT   55   54   56   64  130                                       
CONECT   56   55  131                                                 
CONECT   57   54   58  132                                            
CONECT   58   57   59   60   60                                       
CONECT   59   58  133  134  135                                       
CONECT   60   58   58                                                 
CONECT   61   53   62                                                 
CONECT   62   61   64   63  136                                       
CONECT   63   62  137  138  139                                       
CONECT   64   55   62   65  140                                       
CONECT   65   64   66                                                 
CONECT   66   65   68   67  141                                       
CONECT   67   66   74                                                 
CONECT   68   66   69   70  142                                       
CONECT   69   68  143                                                 
CONECT   70   68   72   71  144                                       
CONECT   71   70  145                                                 
CONECT   72   70   73   74  146                                       
CONECT   73   72  147                                                 
CONECT   74   67   72   75  148                                       
CONECT   75   74   77   76   76                                       
CONECT   76   75   75                                                 
CONECT   77   75  149  150                                            
CONECT   78   79   79   86  151                                       
CONECT   79   78   78   87   85                                       
CONECT   80   81   81   82   84                                       
CONECT   81   80   80   83  152                                       
CONECT   82   80  153  154  155                                       
CONECT   83   81   85  156  157                                       
CONECT   84   80  158  159  160                                       
CONECT   85   79   83  161  162                                       
CONECT   86    1   78  163  164                                       
CONECT   87   79  165  166  167                                       
CONECT   88    2                                                      
CONECT   89    5                                                      
CONECT   90    6                                                      
CONECT   91    6                                                      
CONECT   92    9                                                      
CONECT   93   12                                                      
CONECT   94   14                                                      
CONECT   95   17                                                      
CONECT   96   17                                                      
CONECT   97   19                                                      
CONECT   98   20                                                      
CONECT   99   20                                                      
CONECT  100   20                                                      
CONECT  101   21                                                      
CONECT  102   25                                                      
CONECT  103   25                                                      
CONECT  104   26                                                      
CONECT  105   28                                                      
CONECT  106   29                                                      
CONECT  107   30                                                      
CONECT  108   31                                                      
CONECT  109   32                                                      
CONECT  110   34                                                      
CONECT  111   34                                                      
CONECT  112   34                                                      
CONECT  113   37                                                      
CONECT  114   38                                                      
CONECT  115   38                                                      
CONECT  116   40                                                      
CONECT  117   42                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   45                                                      
CONECT  121   46                                                      
CONECT  122   47                                                      
CONECT  123   48                                                      
CONECT  124   49                                                      
CONECT  125   50                                                      
CONECT  126   51                                                      
CONECT  127   52                                                      
CONECT  128   53                                                      
CONECT  129   54                                                      
CONECT  130   55                                                      
CONECT  131   56                                                      
CONECT  132   57                                                      
CONECT  133   59                                                      
CONECT  134   59                                                      
CONECT  135   59                                                      
CONECT  136   62                                                      
CONECT  137   63                                                      
CONECT  138   63                                                      
CONECT  139   63                                                      
CONECT  140   64                                                      
CONECT  141   66                                                      
CONECT  142   68                                                      
CONECT  143   69                                                      
CONECT  144   70                                                      
CONECT  145   71                                                      
CONECT  146   72                                                      
CONECT  147   73                                                      
CONECT  148   74                                                      
CONECT  149   77                                                      
CONECT  150   77                                                      
CONECT  151   78                                                      
CONECT  152   81                                                      
CONECT  153   82                                                      
CONECT  154   82                                                      
CONECT  155   82                                                      
CONECT  156   83                                                      
CONECT  157   83                                                      
CONECT  158   84                                                      
CONECT  159   84                                                      
CONECT  160   84                                                      
CONECT  161   85                                                      
CONECT  162   85                                                      
CONECT  163   86                                                      
CONECT  164   86                                                      
CONECT  165   87                                                      
CONECT  166   87                                                      
CONECT  167   87                                                      
MASTER        0    0    0    0    0    0    0    0  167    0  167    0
END
