COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.598  -0.408   0.534  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.555  -4.703   5.053  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.239  -5.011   4.565  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.070  -1.822   3.949  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.163  -2.952  -8.156  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.105  -1.958  -5.865  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.913   1.267  -0.228  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.184   7.228   1.518  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.634  11.512   1.655  1.00  0.00           C  
HETATM   10  C   UNL     1      15.235   0.848   3.047  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.438   9.212   2.948  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.857  -2.183  -1.479  1.00  0.00           C  
HETATM   13  C   UNL     1       9.264  -0.992   1.746  1.00  0.00           C  
HETATM   14  C   UNL     1      11.482  -0.110   1.449  1.00  0.00           C  
HETATM   15  C   UNL     1      14.072   2.021  -0.887  1.00  0.00           C  
HETATM   16  C   UNL     1      12.766   2.445  -1.098  1.00  0.00           C  
HETATM   17  C   UNL     1      12.382   2.917  -2.339  1.00  0.00           C  
HETATM   18  C   UNL     1      13.297   2.970  -3.374  1.00  0.00           C  
HETATM   19  C   UNL     1      14.606   2.548  -3.169  1.00  0.00           C  
HETATM   20  C   UNL     1      14.993   2.073  -1.924  1.00  0.00           C  
HETATM   21  C   UNL     1      13.552   0.865   1.165  1.00  0.00           C  
HETATM   22  C   UNL     1      13.885   0.504   2.472  1.00  0.00           C  
HETATM   23  C   UNL     1      12.951  -0.181   3.224  1.00  0.00           C  
HETATM   24  C   UNL     1       8.377  -1.931   1.226  1.00  0.00           C  
HETATM   25  C   UNL     1       7.415  -2.493   2.032  1.00  0.00           C  
HETATM   26  C   UNL     1       7.326  -2.122   3.377  1.00  0.00           C  
HETATM   27  C   UNL     1       8.219  -1.177   3.898  1.00  0.00           C  
HETATM   28  C   UNL     1       9.181  -0.618   3.083  1.00  0.00           C  
HETATM   29  C   UNL     1      15.898  -0.064  -4.751  1.00  0.00           C  
HETATM   30  C   UNL     1      14.876  -0.415  -3.668  1.00  0.00           C  
HETATM   31  C   UNL     1      16.924  -1.193  -4.868  1.00  0.00           C  
HETATM   32  C   UNL     1      15.181   0.114  -6.090  1.00  0.00           C  
HETATM   33  C   UNL     1       6.296  -2.722   4.244  1.00  0.00           C  
HETATM   34  C   UNL     1       4.414  -4.227   4.602  1.00  0.00           C  
HETATM   35  C   UNL     1       4.010  -5.593   4.042  1.00  0.00           C  
HETATM   36  C   UNL     1       2.964  -6.229   4.964  1.00  0.00           C  
HETATM   37  C   UNL     1       2.135  -3.920   5.577  1.00  0.00           C  
HETATM   38  C   UNL     1       3.189  -3.310   4.649  1.00  0.00           C  
HETATM   39  C   UNL     1       0.581  -5.677   4.878  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.439  -2.344  -2.051  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.852  -2.710  -2.290  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.181  -2.533  -1.702  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.506  -3.406  -2.731  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.507  -3.932  -3.541  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.182  -3.583  -3.327  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.656  -3.104  -6.715  1.00  0.00           C  
HETATM   47  C   UNL     1     -12.186  -3.066  -6.693  1.00  0.00           C  
HETATM   48  C   UNL     1     -12.085  -0.710  -0.407  1.00  0.00           C  
HETATM   49  C   UNL     1     -12.951   1.131   0.841  1.00  0.00           C  
HETATM   50  C   UNL     1     -13.101  -0.162   0.379  1.00  0.00           C  
HETATM   51  C   UNL     1     -14.329  -0.966   0.719  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.639   3.298  -0.026  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.366   3.823   0.177  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.215   5.096   0.677  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.342   5.865   0.982  1.00  0.00           C  
HETATM   56  C   UNL     1     -10.623   5.335   0.776  1.00  0.00           C  
HETATM   57  C   UNL     1     -10.765   4.058   0.275  1.00  0.00           C  
HETATM   58  C   UNL     1      -7.794   9.092   2.248  1.00  0.00           C  
HETATM   59  C   UNL     1      -6.254  10.646   3.449  1.00  0.00           C  
HETATM   60  C   UNL     1      -7.859  10.104   1.100  1.00  0.00           C  
HETATM   61  C   UNL     1      -1.876  -5.391   4.702  1.00  0.00           C  
HETATM   62  C   UNL     1      -5.310  -3.939   4.777  1.00  0.00           C  
HETATM   63  C   UNL     1      -5.768  -0.750   2.900  1.00  0.00           C  
HETATM   64  C   UNL     1      -5.729  -1.134  -0.807  1.00  0.00           C  
HETATM   65  F   UNL     1       8.139  -0.813   5.197  1.00  0.00           F  
HETATM   66  F   UNL     1     -11.716   6.073   1.068  1.00  0.00           F  
HETATM   67  N   UNL     1      14.460   1.548   0.371  1.00  0.00           N  
HETATM   68  N   UNL     1      11.773  -0.469   2.690  1.00  0.00           N  
HETATM   69  N   UNL     1      12.351   0.543   0.693  1.00  0.00           N  
HETATM   70  N   UNL     1      10.239  -0.430   0.927  1.00  0.00           N  
HETATM   71  N   UNL     1      15.530   2.602  -4.215  1.00  0.00           N  
HETATM   72  N   UNL     1       5.438  -3.631   3.740  1.00  0.00           N  
HETATM   73  N   UNL     1       1.847  -5.290   5.131  1.00  0.00           N  
HETATM   74  N   UNL     1      -7.110  -1.590  -0.983  1.00  0.00           N  
HETATM   75  N   UNL     1     -10.838  -4.812  -4.575  1.00  0.00           N  
HETATM   76  N   UNL     1     -12.189  -2.006  -0.890  1.00  0.00           N  
HETATM   77  N   UNL     1     -11.016   0.029  -0.687  1.00  0.00           N  
HETATM   78  N   UNL     1     -11.859   1.811   0.524  1.00  0.00           N  
HETATM   79  N   UNL     1      -9.786   2.012  -0.538  1.00  0.00           N  
HETATM   80  N   UNL     1      -7.951   7.736   1.715  1.00  0.00           N  
HETATM   81  N   UNL     1      -6.323  11.576   2.314  1.00  0.00           N  
HETATM   82  O   UNL     1      17.254   1.404  -2.984  1.00  0.00           O  
HETATM   83  O   UNL     1      17.556   1.928  -5.383  1.00  0.00           O  
HETATM   84  O   UNL     1       6.221  -2.397   5.414  1.00  0.00           O  
HETATM   85  O   UNL     1       0.356  -6.811   4.509  1.00  0.00           O  
HETATM   86  O   UNL     1      -6.575  -2.724  -2.816  1.00  0.00           O  
HETATM   87  O   UNL     1     -10.604  -5.770  -6.799  1.00  0.00           O  
HETATM   88  O   UNL     1      -8.699  -4.619  -5.719  1.00  0.00           O  
HETATM   89  O   UNL     1     -10.166   7.896   1.782  1.00  0.00           O  
HETATM   90  O   UNL     1      -2.953  -4.466   4.868  1.00  0.00           O  
HETATM   91  O   UNL     1      -5.117  -2.881   3.837  1.00  0.00           O  
HETATM   92  O   UNL     1      -5.962  -1.296   1.593  1.00  0.00           O  
HETATM   93  S   UNL     1      16.743   1.478  -4.308  1.00  0.00           S  
HETATM   94  S   UNL     1     -10.081  -4.687  -6.042  1.00  0.00           S  
HETATM   95 CL   UNL     1      12.811   3.564  -4.931  1.00  0.00          Cl  
HETATM   96  H   UNL     1      -4.568  -0.081   0.671  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.259   0.459   0.543  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.586  -4.363   6.088  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.405  -3.848   4.394  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.438  -5.859   5.221  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.257  -5.343   3.527  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.009  -1.383   4.945  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.073  -2.217   3.787  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.073  -2.980  -8.171  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.556  -3.769  -8.762  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.509  -2.001  -8.560  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.016  -1.985  -5.880  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.451  -1.006  -6.269  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.457  -2.065  -4.838  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.666  12.233   0.839  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.415  11.747   2.378  1.00  0.00           H  
HETATM  112  H   UNL     1      15.186   1.826   3.527  1.00  0.00           H  
HETATM  113  H   UNL     1      15.520   0.096   3.782  1.00  0.00           H  
HETATM  114  H   UNL     1      15.974   0.873   2.247  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.402   8.524   3.793  1.00  0.00           H  
HETATM  116  H   UNL     1      -5.642   8.968   2.244  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.605  -1.507  -0.675  1.00  0.00           H  
HETATM  118  H   UNL     1      12.049   2.405  -0.291  1.00  0.00           H  
HETATM  119  H   UNL     1      11.366   3.245  -2.500  1.00  0.00           H  
HETATM  120  H   UNL     1      16.010   1.748  -1.761  1.00  0.00           H  
HETATM  121  H   UNL     1      13.178  -0.479   4.238  1.00  0.00           H  
HETATM  122  H   UNL     1       8.444  -2.218   0.187  1.00  0.00           H  
HETATM  123  H   UNL     1       6.727  -3.221   1.627  1.00  0.00           H  
HETATM  124  H   UNL     1       9.873   0.108   3.484  1.00  0.00           H  
HETATM  125  H   UNL     1      14.368  -1.342  -3.934  1.00  0.00           H  
HETATM  126  H   UNL     1      15.386  -0.542  -2.713  1.00  0.00           H  
HETATM  127  H   UNL     1      14.144   0.389  -3.585  1.00  0.00           H  
HETATM  128  H   UNL     1      17.653  -0.943  -5.639  1.00  0.00           H  
HETATM  129  H   UNL     1      17.435  -1.320  -3.913  1.00  0.00           H  
HETATM  130  H   UNL     1      16.417  -2.120  -5.134  1.00  0.00           H  
HETATM  131  H   UNL     1      15.909   0.364  -6.862  1.00  0.00           H  
HETATM  132  H   UNL     1      14.673  -0.813  -6.357  1.00  0.00           H  
HETATM  133  H   UNL     1      14.450   0.918  -6.007  1.00  0.00           H  
HETATM  134  H   UNL     1       4.813  -4.351   5.609  1.00  0.00           H  
HETATM  135  H   UNL     1       3.587  -5.467   3.046  1.00  0.00           H  
HETATM  136  H   UNL     1       4.887  -6.238   3.987  1.00  0.00           H  
HETATM  137  H   UNL     1       2.600  -7.155   4.520  1.00  0.00           H  
HETATM  138  H   UNL     1       3.413  -6.438   5.936  1.00  0.00           H  
HETATM  139  H   UNL     1       2.516  -3.942   6.598  1.00  0.00           H  
HETATM  140  H   UNL     1       1.225  -3.322   5.540  1.00  0.00           H  
HETATM  141  H   UNL     1       3.483  -2.330   5.025  1.00  0.00           H  
HETATM  142  H   UNL     1       2.774  -3.206   3.646  1.00  0.00           H  
HETATM  143  H   UNL     1     -12.537  -3.677  -2.903  1.00  0.00           H  
HETATM  144  H   UNL     1      -8.406  -3.992  -3.957  1.00  0.00           H  
HETATM  145  H   UNL     1     -12.529  -2.083  -7.017  1.00  0.00           H  
HETATM  146  H   UNL     1     -12.578  -3.828  -7.367  1.00  0.00           H  
HETATM  147  H   UNL     1     -12.540  -3.259  -5.681  1.00  0.00           H  
HETATM  148  H   UNL     1     -13.716   1.583   1.455  1.00  0.00           H  
HETATM  149  H   UNL     1     -15.092  -0.804  -0.043  1.00  0.00           H  
HETATM  150  H   UNL     1     -14.073  -2.024   0.757  1.00  0.00           H  
HETATM  151  H   UNL     1     -14.712  -0.650   1.690  1.00  0.00           H  
HETATM  152  H   UNL     1      -7.494   3.230  -0.058  1.00  0.00           H  
HETATM  153  H   UNL     1      -7.226   5.501   0.834  1.00  0.00           H  
HETATM  154  H   UNL     1     -11.751   3.647   0.115  1.00  0.00           H  
HETATM  155  H   UNL     1      -8.592   9.299   2.961  1.00  0.00           H  
HETATM  156  H   UNL     1      -7.042  10.886   4.163  1.00  0.00           H  
HETATM  157  H   UNL     1      -5.283  10.739   3.935  1.00  0.00           H  
HETATM  158  H   UNL     1      -8.839  10.052   0.625  1.00  0.00           H  
HETATM  159  H   UNL     1      -7.086   9.873   0.368  1.00  0.00           H  
HETATM  160  H   UNL     1      -1.845  -5.730   3.667  1.00  0.00           H  
HETATM  161  H   UNL     1      -2.026  -6.246   5.361  1.00  0.00           H  
HETATM  162  H   UNL     1      -6.297  -4.378   4.632  1.00  0.00           H  
HETATM  163  H   UNL     1      -5.233  -3.544   5.790  1.00  0.00           H  
HETATM  164  H   UNL     1      -6.439   0.097   3.043  1.00  0.00           H  
HETATM  165  H   UNL     1      -4.735  -0.418   3.006  1.00  0.00           H  
HETATM  166  H   UNL     1      -5.464  -0.453  -1.616  1.00  0.00           H  
HETATM  167  H   UNL     1      -5.058  -1.993  -0.821  1.00  0.00           H  
HETATM  168  H   UNL     1      15.364   1.699   0.687  1.00  0.00           H  
HETATM  169  H   UNL     1      10.049  -0.263  -0.010  1.00  0.00           H  
HETATM  170  H   UNL     1      15.462   3.298  -4.887  1.00  0.00           H  
HETATM  171  H   UNL     1       5.498  -3.889   2.807  1.00  0.00           H  
HETATM  172  H   UNL     1      -7.787  -1.349  -0.332  1.00  0.00           H  
HETATM  173  H   UNL     1     -11.512  -5.495  -4.433  1.00  0.00           H  
HETATM  174  H   UNL     1     -12.962  -2.547  -0.663  1.00  0.00           H  
HETATM  175  H   UNL     1      -9.100   1.636  -1.111  1.00  0.00           H  
HETATM  176  H   UNL     1      -7.168   7.204   1.504  1.00  0.00           H  
HETATM  177  H   UNL     1      -6.110  12.518   2.605  1.00  0.00           H  
CONECT    1   64   92   96   97                                       
CONECT    2   61   39   98   99                                       
CONECT    3   62   90  100  101                                       
CONECT    4   91   63  102  103                                       
CONECT    5   46  104  105  106                                       
CONECT    6   46  107  108  109                                       
CONECT    7   78   79   77   77                                       
CONECT    8   55   89   89   80                                       
CONECT    9   60   81  110  111                                       
CONECT   10   22  112  113  114                                       
CONECT   11   58   59  115  116                                       
CONECT   12   42   41   41  117                                       
CONECT   13   24   24   28   70                                       
CONECT   14   69   70   68   68                                       
CONECT   15   16   16   20   67                                       
CONECT   16   17   15   15  118                                       
CONECT   17   18   18   16  119                                       
CONECT   18   95   17   17   19                                       
CONECT   19   18   71   20   20                                       
CONECT   20   19   19   15  120                                       
CONECT   21   67   69   69   22                                       
CONECT   22   21   10   23   23                                       
CONECT   23   22   22   68  121                                       
CONECT   24   25   13   13  122                                       
CONECT   25   26   26   24  123                                       
CONECT   26   33   25   25   27                                       
CONECT   27   26   65   28   28                                       
CONECT   28   27   27   13  124                                       
CONECT   29   31   32   93   30                                       
CONECT   30   29  125  126  127                                       
CONECT   31   29  128  129  130                                       
CONECT   32   29  131  132  133                                       
CONECT   33   84   84   72   26                                       
CONECT   34   38   35   72  134                                       
CONECT   35   36   34  135  136                                       
CONECT   36   73   35  137  138                                       
CONECT   37   73   38  139  140                                       
CONECT   38   34   37  141  142                                       
CONECT   39    2   85   85   73                                       
CONECT   40   41   86   86   74                                       
CONECT   41   12   12   45   40                                       
CONECT   42   76   43   43   12                                       
CONECT   43   42   42   44  143                                       
CONECT   44   43   75   45   45                                       
CONECT   45   44   44   41  144                                       
CONECT   46    6   94    5   47                                       
CONECT   47   46  145  146  147                                       
CONECT   48   50   50   77   76                                       
CONECT   49   78   78   50  148                                       
CONECT   50   49   51   48   48                                       
CONECT   51   50  149  150  151                                       
CONECT   52   79   53   53   57                                       
CONECT   53   52   52   54  152                                       
CONECT   54   53   55   55  153                                       
CONECT   55   54   54   56    8                                       
CONECT   56   57   57   55   66                                       
CONECT   57   52   56   56  154                                       
CONECT   58   80   11   60  155                                       
CONECT   59   11   81  156  157                                       
CONECT   60   58    9  158  159                                       
CONECT   61   90    2  160  161                                       
CONECT   62   91    3  162  163                                       
CONECT   63    4   92  164  165                                       
CONECT   64   74    1  166  167                                       
CONECT   65   27                                                      
CONECT   66   56                                                      
CONECT   67   15   21  168                                            
CONECT   68   14   14   23                                            
CONECT   69   21   21   14                                            
CONECT   70   13   14  169                                            
CONECT   71   19   93  170                                            
CONECT   72   34   33  171                                            
CONECT   73   39   36   37                                            
CONECT   74   40   64  172                                            
CONECT   75   44   94  173                                            
CONECT   76   48   42  174                                            
CONECT   77    7    7   48                                            
CONECT   78   49   49    7                                            
CONECT   79    7   52  175                                            
CONECT   80    8   58  176                                            
CONECT   81   59    9  177                                            
CONECT   82   93   93                                                 
CONECT   83   93   93                                                 
CONECT   84   33   33                                                 
CONECT   85   39   39                                                 
CONECT   86   40   40                                                 
CONECT   87   94   94                                                 
CONECT   88   94   94                                                 
CONECT   89    8    8                                                 
CONECT   90    3   61                                                 
CONECT   91   62    4                                                 
CONECT   92   63    1                                                 
CONECT   93   71   29   82   82                                       
CONECT   93   83   83                                                 
CONECT   94   87   87   46   75                                       
CONECT   94   88   88                                                 
CONECT   95   18                                                      
CONECT   96    1                                                      
CONECT   97    1                                                      
CONECT   98    2                                                      
CONECT   99    2                                                      
CONECT  100    3                                                      
CONECT  101    3                                                      
CONECT  102    4                                                      
CONECT  103    4                                                      
CONECT  104    5                                                      
CONECT  105    5                                                      
CONECT  106    5                                                      
CONECT  107    6                                                      
CONECT  108    6                                                      
CONECT  109    6                                                      
CONECT  110    9                                                      
CONECT  111    9                                                      
CONECT  112   10                                                      
CONECT  113   10                                                      
CONECT  114   10                                                      
CONECT  115   11                                                      
CONECT  116   11                                                      
CONECT  117   12                                                      
CONECT  118   16                                                      
CONECT  119   17                                                      
CONECT  120   20                                                      
CONECT  121   23                                                      
CONECT  122   24                                                      
CONECT  123   25                                                      
CONECT  124   28                                                      
CONECT  125   30                                                      
CONECT  126   30                                                      
CONECT  127   30                                                      
CONECT  128   31                                                      
CONECT  129   31                                                      
CONECT  130   31                                                      
CONECT  131   32                                                      
CONECT  132   32                                                      
CONECT  133   32                                                      
CONECT  134   34                                                      
CONECT  135   35                                                      
CONECT  136   35                                                      
CONECT  137   36                                                      
CONECT  138   36                                                      
CONECT  139   37                                                      
CONECT  140   37                                                      
CONECT  141   38                                                      
CONECT  142   38                                                      
CONECT  143   43                                                      
CONECT  144   45                                                      
CONECT  145   47                                                      
CONECT  146   47                                                      
CONECT  147   47                                                      
CONECT  148   49                                                      
CONECT  149   51                                                      
CONECT  150   51                                                      
CONECT  151   51                                                      
CONECT  152   53                                                      
CONECT  153   54                                                      
CONECT  154   57                                                      
CONECT  155   58                                                      
CONECT  156   59                                                      
CONECT  157   59                                                      
CONECT  158   60                                                      
CONECT  159   60                                                      
CONECT  160   61                                                      
CONECT  161   61                                                      
CONECT  162   62                                                      
CONECT  163   62                                                      
CONECT  164   63                                                      
CONECT  165   63                                                      
CONECT  166   64                                                      
CONECT  167   64                                                      
CONECT  168   67                                                      
CONECT  169   70                                                      
CONECT  170   71                                                      
CONECT  171   72                                                      
CONECT  172   74                                                      
CONECT  173   75                                                      
CONECT  174   76                                                      
CONECT  175   79                                                      
CONECT  176   80                                                      
CONECT  177   81                                                      
MASTER        0    0    0    0    0    0    0    0  177    0  177    0
END
