COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.799  -2.430   2.270  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.876  -3.452   2.882  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.581  -3.413   4.359  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.329  -4.374   2.129  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.737  -4.508   0.685  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.520  -4.275  -0.213  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.951  -4.292  -1.657  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.015  -5.597  -2.409  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.269  -3.173  -2.259  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.252  -1.875  -1.494  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.201  -0.941  -2.098  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.100   0.309  -1.263  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.053   1.452  -1.499  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.184   0.402  -0.331  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.164   1.594   0.590  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.247   1.119   2.042  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.108   2.301   2.966  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.324   3.103   3.353  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.929   2.632   3.433  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.694   1.939   2.921  1.00  0.00           C  
HETATM   21  C   UNL     1       0.271   2.976   2.344  1.00  0.00           C  
HETATM   22  C   UNL     1       1.452   2.274   1.725  1.00  0.00           C  
HETATM   23  C   UNL     1       2.622   1.866   2.584  1.00  0.00           C  
HETATM   24  C   UNL     1       1.463   2.018   0.440  1.00  0.00           C  
HETATM   25  C   UNL     1       2.584   1.209  -0.158  1.00  0.00           C  
HETATM   26  C   UNL     1       2.001   0.036  -0.949  1.00  0.00           C  
HETATM   27  C   UNL     1       3.121  -0.841  -1.447  1.00  0.00           C  
HETATM   28  C   UNL     1       3.826  -0.502  -2.735  1.00  0.00           C  
HETATM   29  C   UNL     1       3.482  -1.896  -0.761  1.00  0.00           C  
HETATM   30  C   UNL     1       4.653  -2.727  -1.217  1.00  0.00           C  
HETATM   31  C   UNL     1       5.653  -2.873  -0.068  1.00  0.00           C  
HETATM   32  C   UNL     1       6.766  -3.799  -0.485  1.00  0.00           C  
HETATM   33  C   UNL     1       6.619  -5.287  -0.295  1.00  0.00           C  
HETATM   34  C   UNL     1       7.862  -3.312  -1.012  1.00  0.00           C  
HETATM   35  C   UNL     1       8.044  -1.821  -1.126  1.00  0.00           C  
HETATM   36  C   UNL     1      12.077   1.306   0.224  1.00  0.00           C  
HETATM   37  C   UNL     1      13.050   1.136   1.419  1.00  0.00           C  
HETATM   38  C   UNL     1      14.110   2.228   1.132  1.00  0.00           C  
HETATM   39  C   UNL     1      13.961   2.511  -0.376  1.00  0.00           C  
HETATM   40  C   UNL     1      15.290   2.247  -1.088  1.00  0.00           C  
HETATM   41  O   UNL     1       9.361  -1.468  -0.698  1.00  0.00           O  
HETATM   42  O   UNL     1       9.979   0.603  -2.196  1.00  0.00           O  
HETATM   43  O   UNL     1      11.370   0.090  -0.025  1.00  0.00           O  
HETATM   44  O   UNL     1      12.949   1.623  -0.882  1.00  0.00           O  
HETATM   45  O   UNL     1      13.643  -0.164   1.412  1.00  0.00           O  
HETATM   46  O   UNL     1      13.833   3.406   1.891  1.00  0.00           O  
HETATM   47  O   UNL     1      15.176   2.623  -2.462  1.00  0.00           O  
HETATM   48  O   UNL     1       8.981   0.896   0.104  1.00  0.00           O  
HETATM   49  P   UNL     1       9.902   0.049  -0.687  1.00  0.00           P  
HETATM   50  H   UNL     1      -6.694  -1.483   2.799  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.542  -2.291   1.220  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.708  -2.785   4.539  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.440  -3.002   4.890  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.382  -4.423   4.717  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.586  -5.040   2.544  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.132  -5.509   0.510  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.505  -3.769   0.454  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.075  -3.308   0.022  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.787  -5.064  -0.043  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.008  -6.032  -2.297  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.813  -5.418  -3.465  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.270  -6.284  -2.007  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.543  -3.181  -3.304  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.233  -1.405  -1.554  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.006  -2.071  -0.451  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.235  -1.445  -2.117  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.492  -0.676  -3.115  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.917   1.346  -0.843  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.549   2.395  -1.286  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.382   1.443  -2.538  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.443  -0.377  -0.222  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.239   2.152   0.443  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.015   2.239   0.369  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.210   0.637   2.212  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.445   0.408   2.238  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.765   2.681   4.256  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.033   4.137   3.540  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.053   3.071   2.543  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.844   3.402   4.186  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.209   1.407   3.740  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.972   1.229   2.142  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.241   3.566   1.584  1.00  0.00           H  
HETATM   83  H   UNL     1       0.617   3.634   3.142  1.00  0.00           H  
HETATM   84  H   UNL     1       2.490   0.835   2.912  1.00  0.00           H  
HETATM   85  H   UNL     1       3.543   1.949   2.007  1.00  0.00           H  
HETATM   86  H   UNL     1       2.679   2.520   3.454  1.00  0.00           H  
HETATM   87  H   UNL     1       0.668   2.388  -0.190  1.00  0.00           H  
HETATM   88  H   UNL     1       3.172   1.839  -0.824  1.00  0.00           H  
HETATM   89  H   UNL     1       3.223   0.827   0.639  1.00  0.00           H  
HETATM   90  H   UNL     1       1.344  -0.547  -0.303  1.00  0.00           H  
HETATM   91  H   UNL     1       1.432   0.417  -1.797  1.00  0.00           H  
HETATM   92  H   UNL     1       4.674   0.150  -2.525  1.00  0.00           H  
HETATM   93  H   UNL     1       4.181  -1.418  -3.207  1.00  0.00           H  
HETATM   94  H   UNL     1       3.134   0.007  -3.406  1.00  0.00           H  
HETATM   95  H   UNL     1       2.939  -2.171   0.132  1.00  0.00           H  
HETATM   96  H   UNL     1       4.303  -3.714  -1.520  1.00  0.00           H  
HETATM   97  H   UNL     1       5.139  -2.239  -2.062  1.00  0.00           H  
HETATM   98  H   UNL     1       6.068  -1.895   0.178  1.00  0.00           H  
HETATM   99  H   UNL     1       5.147  -3.283   0.805  1.00  0.00           H  
HETATM  100  H   UNL     1       6.918  -5.555   0.719  1.00  0.00           H  
HETATM  101  H   UNL     1       5.578  -5.572  -0.454  1.00  0.00           H  
HETATM  102  H   UNL     1       7.252  -5.810  -1.011  1.00  0.00           H  
HETATM  103  H   UNL     1       8.634  -3.979  -1.365  1.00  0.00           H  
HETATM  104  H   UNL     1       7.906  -1.516  -2.164  1.00  0.00           H  
HETATM  105  H   UNL     1       7.310  -1.316  -0.498  1.00  0.00           H  
HETATM  106  H   UNL     1      11.380   2.123   0.410  1.00  0.00           H  
HETATM  107  H   UNL     1      12.542   1.325   2.364  1.00  0.00           H  
HETATM  108  H   UNL     1      15.110   1.856   1.353  1.00  0.00           H  
HETATM  109  H   UNL     1      13.655   3.545  -0.530  1.00  0.00           H  
HETATM  110  H   UNL     1      16.078   2.833  -0.615  1.00  0.00           H  
HETATM  111  H   UNL     1      15.535   1.188  -1.020  1.00  0.00           H  
HETATM  112  H   UNL     1      10.566   0.094  -2.773  1.00  0.00           H  
HETATM  113  H   UNL     1      13.007  -0.887   1.498  1.00  0.00           H  
HETATM  114  H   UNL     1      13.854   3.270   2.849  1.00  0.00           H  
HETATM  115  H   UNL     1      15.983   2.483  -2.976  1.00  0.00           H  
HETATM  116  C   UNL     1      -8.245  -2.918   2.381  1.00  0.00           C  
HETATM  117  C   UNL     1      -9.177  -1.846   1.878  1.00  0.00           C  
HETATM  118  C   UNL     1      -9.949  -2.081   0.846  1.00  0.00           C  
HETATM  119  C   UNL     1     -10.919  -1.027   0.375  1.00  0.00           C  
HETATM  120  C   UNL     1     -10.282  -0.218  -0.756  1.00  0.00           C  
HETATM  121  C   UNL     1     -11.292   0.757  -1.306  1.00  0.00           C  
HETATM  122  C   UNL     1     -11.054   2.044  -1.257  1.00  0.00           C  
HETATM  123  C   UNL     1     -11.998   3.010  -1.924  1.00  0.00           C  
HETATM  124  C   UNL     1     -13.008   3.528  -0.899  1.00  0.00           C  
HETATM  125  C   UNL     1     -13.952   4.495  -1.566  1.00  0.00           C  
HETATM  126  C   UNL     1     -15.237   4.241  -1.595  1.00  0.00           C  
HETATM  127  C   UNL     1     -15.756   2.921  -1.086  1.00  0.00           C  
HETATM  128  C   UNL     1      -9.869  -3.405   0.131  1.00  0.00           C  
HETATM  129  C   UNL     1      -9.837   2.558  -0.532  1.00  0.00           C  
HETATM  130  C   UNL     1     -16.195   5.270  -2.136  1.00  0.00           C  
HETATM  131  H   UNL     1      -8.371  -3.819   1.782  1.00  0.00           H  
HETATM  132  H   UNL     1      -8.475  -3.139   3.423  1.00  0.00           H  
HETATM  133  H   UNL     1      -9.208  -0.883   2.367  1.00  0.00           H  
HETATM  134  H   UNL     1     -11.828  -1.507   0.012  1.00  0.00           H  
HETATM  135  H   UNL     1     -11.164  -0.363   1.204  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.421   0.329  -0.372  1.00  0.00           H  
HETATM  137  H   UNL     1      -9.959  -0.893  -1.549  1.00  0.00           H  
HETATM  138  H   UNL     1     -12.211   0.394  -1.741  1.00  0.00           H  
HETATM  139  H   UNL     1     -11.432   3.848  -2.332  1.00  0.00           H  
HETATM  140  H   UNL     1     -12.527   2.503  -2.731  1.00  0.00           H  
HETATM  141  H   UNL     1     -13.574   2.690  -0.491  1.00  0.00           H  
HETATM  142  H   UNL     1     -12.479   4.035  -0.092  1.00  0.00           H  
HETATM  143  H   UNL     1     -13.569   5.396  -2.021  1.00  0.00           H  
HETATM  144  H   UNL     1     -15.876   2.971  -0.004  1.00  0.00           H  
HETATM  145  H   UNL     1     -16.719   2.707  -1.550  1.00  0.00           H  
HETATM  146  H   UNL     1     -15.048   2.131  -1.337  1.00  0.00           H  
HETATM  147  H   UNL     1     -10.484  -4.138   0.652  1.00  0.00           H  
HETATM  148  H   UNL     1     -10.230  -3.288  -0.891  1.00  0.00           H  
HETATM  149  H   UNL     1      -8.834  -3.746   0.113  1.00  0.00           H  
HETATM  150  H   UNL     1      -8.981   2.548  -1.207  1.00  0.00           H  
HETATM  151  H   UNL     1     -10.019   3.578  -0.193  1.00  0.00           H  
HETATM  152  H   UNL     1      -9.629   1.921   0.327  1.00  0.00           H  
HETATM  153  H   UNL     1     -15.640   6.153  -2.454  1.00  0.00           H  
HETATM  154  H   UNL     1     -16.733   4.853  -2.988  1.00  0.00           H  
HETATM  155  H   UNL     1     -16.907   5.549  -1.359  1.00  0.00           H  
CONECT    1    2   50   51  116                                       
CONECT    2    3    4    4    1                                       
CONECT    3    2   52   53   54                                       
CONECT    4    2    2    5   55                                       
CONECT    5    4    6   56   57                                       
CONECT    6    5    7   58   59                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   60   61   62                                       
CONECT    9    7    7   10   63                                       
CONECT   10    9   11   64   65                                       
CONECT   11   10   12   66   67                                       
CONECT   12   13   11   14   14                                       
CONECT   13   12   68   69   70                                       
CONECT   14   12   12   15   71                                       
CONECT   15   14   16   72   73                                       
CONECT   16   15   17   74   75                                       
CONECT   17   16   19   19   18                                       
CONECT   18   17   76   77   78                                       
CONECT   19   20   17   17   79                                       
CONECT   20   21   19   80   81                                       
CONECT   21   22   20   82   83                                       
CONECT   22   23   21   24   24                                       
CONECT   23   22   84   85   86                                       
CONECT   24   25   22   22   87                                       
CONECT   25   24   26   88   89                                       
CONECT   26   25   27   90   91                                       
CONECT   27   28   26   29   29                                       
CONECT   28   27   92   93   94                                       
CONECT   29   27   27   30   95                                       
CONECT   30   29   31   96   97                                       
CONECT   31   32   30   98   99                                       
CONECT   32   33   34   34   31                                       
CONECT   33   32  100  101  102                                       
CONECT   34   32   32   35  103                                       
CONECT   35   34   41  104  105                                       
CONECT   36   37   44   43  106                                       
CONECT   37   38   45   36  107                                       
CONECT   38   46   37   39  108                                       
CONECT   39   38   44   40  109                                       
CONECT   40   39   47  110  111                                       
CONECT   41   35   49                                                 
CONECT   42   49  112                                                 
CONECT   43   36   49                                                 
CONECT   44   39   36                                                 
CONECT   45   37  113                                                 
CONECT   46   38  114                                                 
CONECT   47   40  115                                                 
CONECT   48   49   49                                                 
CONECT   49   43   41   48   48                                       
CONECT   49   42                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   16                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   26                                                      
CONECT   92   28                                                      
CONECT   93   28                                                      
CONECT   94   28                                                      
CONECT   95   29                                                      
CONECT   96   30                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   31                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   35                                                      
CONECT  105   35                                                      
CONECT  106   36                                                      
CONECT  107   37                                                      
CONECT  108   38                                                      
CONECT  109   39                                                      
CONECT  110   40                                                      
CONECT  111   40                                                      
CONECT  112   42                                                      
CONECT  113   45                                                      
CONECT  114   46                                                      
CONECT  115   47                                                      
CONECT  116    1  117  131  132                                       
CONECT  117  116  118  118  133                                       
CONECT  118  117  117  119  128                                       
CONECT  119  118  120  134  135                                       
CONECT  120  119  121  136  137                                       
CONECT  121  120  122  122  138                                       
CONECT  122  121  121  123  129                                       
CONECT  123  122  124  139  140                                       
CONECT  124  123  125  141  142                                       
CONECT  125  124  126  126  143                                       
CONECT  126  125  125  127  130                                       
CONECT  127  126  144  145  146                                       
CONECT  128  118  147  148  149                                       
CONECT  129  122  150  151  152                                       
CONECT  130  126  153  154  155                                       
CONECT  131  116                                                      
CONECT  132  116                                                      
CONECT  133  117                                                      
CONECT  134  119                                                      
CONECT  135  119                                                      
CONECT  136  120                                                      
CONECT  137  120                                                      
CONECT  138  121                                                      
CONECT  139  123                                                      
CONECT  140  123                                                      
CONECT  141  124                                                      
CONECT  142  124                                                      
CONECT  143  125                                                      
CONECT  144  127                                                      
CONECT  145  127                                                      
CONECT  146  127                                                      
CONECT  147  128                                                      
CONECT  148  128                                                      
CONECT  149  128                                                      
CONECT  150  129                                                      
CONECT  151  129                                                      
CONECT  152  129                                                      
CONECT  153  130                                                      
CONECT  154  130                                                      
CONECT  155  130                                                      
MASTER        0    0    0    0    0    0    0    0  155    0  155    0
END
