COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.435   3.393   0.436  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.460   5.877   1.669  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.208   8.023   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.084   7.946   1.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.381   8.588   1.859  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.257   6.995   3.254  1.00  0.00           C  
HETATM    7  C   UNL     1     -19.496  -1.098  -3.396  1.00  0.00           C  
HETATM    8  C   UNL     1     -18.396  -0.873  -2.391  1.00  0.00           C  
HETATM    9  C   UNL     1     -17.731   0.336  -2.330  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.438  -0.472  -0.601  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.762   0.965   0.355  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.400   1.008   0.643  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.741   2.204   0.678  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.725   4.684   0.474  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.698   6.002   0.780  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.743   7.229   1.734  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.566   7.750  -0.599  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.273   6.392  -0.638  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.778   8.386   0.336  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.441   8.705   0.762  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.180   5.500   3.570  1.00  0.00           C  
HETATM   22  C   UNL     1       0.419   3.384   2.616  1.00  0.00           C  
HETATM   23  C   UNL     1       0.948   2.737   1.334  1.00  0.00           C  
HETATM   24  C   UNL     1       2.871   2.643  -0.094  1.00  0.00           C  
HETATM   25  C   UNL     1       4.289   3.195  -0.258  1.00  0.00           C  
HETATM   26  C   UNL     1       4.912   2.618  -1.503  1.00  0.00           C  
HETATM   27  C   UNL     1       6.942   3.900  -1.025  1.00  0.00           C  
HETATM   28  C   UNL     1       8.285   3.253  -0.672  1.00  0.00           C  
HETATM   29  C   UNL     1       8.991   2.816  -1.958  1.00  0.00           C  
HETATM   30  C   UNL     1       8.132   1.780  -2.686  1.00  0.00           C  
HETATM   31  C   UNL     1       6.788   2.410  -3.062  1.00  0.00           C  
HETATM   32  C   UNL     1      11.285   2.231  -2.536  1.00  0.00           C  
HETATM   33  C   UNL     1      12.592   1.638  -2.201  1.00  0.00           C  
HETATM   34  C   UNL     1      12.801   1.065  -0.943  1.00  0.00           C  
HETATM   35  C   UNL     1      14.012   0.516  -0.633  1.00  0.00           C  
HETATM   36  C   UNL     1      15.045   0.522  -1.567  1.00  0.00           C  
HETATM   37  C   UNL     1      16.756   0.041   0.054  1.00  0.00           C  
HETATM   38  C   UNL     1      18.362  -0.533   1.605  1.00  0.00           C  
HETATM   39  C   UNL     1      20.271  -1.846   0.937  1.00  0.00           C  
HETATM   40  C   UNL     1      20.292  -1.339  -0.356  1.00  0.00           C  
HETATM   41  C   UNL     1      21.024  -1.979  -1.339  1.00  0.00           C  
HETATM   42  C   UNL     1      21.735  -3.125  -1.039  1.00  0.00           C  
HETATM   43  C   UNL     1      21.717  -3.638   0.254  1.00  0.00           C  
HETATM   44  C   UNL     1      20.330  -6.531   0.850  1.00  0.00           C  
HETATM   45  C   UNL     1      19.669  -7.561   1.768  1.00  0.00           C  
HETATM   46  C   UNL     1      20.700  -7.193  -0.478  1.00  0.00           C  
HETATM   47  C   UNL     1      19.356  -5.379   0.592  1.00  0.00           C  
HETATM   48  C   UNL     1      20.984  -2.997   1.242  1.00  0.00           C  
HETATM   49  C   UNL     1      17.671   0.204   2.570  1.00  0.00           C  
HETATM   50  C   UNL     1      18.186   0.296   3.984  1.00  0.00           C  
HETATM   51  C   UNL     1      16.513   0.856   2.197  1.00  0.00           C  
HETATM   52  C   UNL     1      14.849   1.089  -2.822  1.00  0.00           C  
HETATM   53  C   UNL     1      13.626   1.641  -3.145  1.00  0.00           C  
HETATM   54  C   UNL     1     -14.806   3.354   0.151  1.00  0.00           C  
HETATM   55  C   UNL     1     -15.463   2.141   0.112  1.00  0.00           C  
HETATM   56  C   UNL     1     -18.029  -1.880  -1.495  1.00  0.00           C  
HETATM   57  C   UNL     1     -18.275  -4.121  -0.638  1.00  0.00           C  
HETATM   58  C   UNL     1     -19.219  -4.979  -0.093  1.00  0.00           C  
HETATM   59  C   UNL     1     -18.820  -5.983   0.777  1.00  0.00           C  
HETATM   60  C   UNL     1     -20.365  -8.311  -0.916  1.00  0.00           C  
HETATM   61  C   UNL     1     -21.486  -8.815  -1.827  1.00  0.00           C  
HETATM   62  C   UNL     1     -19.609  -9.505  -0.330  1.00  0.00           C  
HETATM   63  C   UNL     1     -19.399  -7.445  -1.727  1.00  0.00           C  
HETATM   64  C   UNL     1     -17.475  -6.127   1.101  1.00  0.00           C  
HETATM   65  C   UNL     1     -16.537  -5.270   0.556  1.00  0.00           C  
HETATM   66  C   UNL     1     -16.932  -4.273  -0.315  1.00  0.00           C  
HETATM   67  F   UNL     1      13.429   2.187  -4.365  1.00  0.00           F  
HETATM   68  F   UNL     1     -15.483   4.500  -0.083  1.00  0.00           F  
HETATM   69  N   UNL     1     -16.769   0.503  -1.435  1.00  0.00           N  
HETATM   70  N   UNL     1     -15.426  -0.259   0.321  1.00  0.00           N  
HETATM   71  N   UNL     1     -11.405   4.719   0.742  1.00  0.00           N  
HETATM   72  N   UNL     1      -8.459   7.680   0.365  1.00  0.00           N  
HETATM   73  N   UNL     1       6.167   2.965  -1.851  1.00  0.00           N  
HETATM   74  N   UNL     1      10.290   2.227  -1.625  1.00  0.00           N  
HETATM   75  N   UNL     1      16.277  -0.040  -1.244  1.00  0.00           N  
HETATM   76  N   UNL     1      17.877  -0.591   0.369  1.00  0.00           N  
HETATM   77  N   UNL     1      19.535  -1.195   1.932  1.00  0.00           N  
HETATM   78  N   UNL     1      22.437  -4.797   0.557  1.00  0.00           N  
HETATM   79  N   UNL     1      16.084   0.751   0.947  1.00  0.00           N  
HETATM   80  N   UNL     1     -17.055  -1.644  -0.623  1.00  0.00           N  
HETATM   81  N   UNL     1     -18.673  -3.108  -1.515  1.00  0.00           N  
HETATM   82  N   UNL     1     -19.768  -6.849   1.329  1.00  0.00           N  
HETATM   83  O   UNL     1     -13.330   5.718   0.263  1.00  0.00           O  
HETATM   84  O   UNL     1      -6.987   8.394  -1.133  1.00  0.00           O  
HETATM   85  O   UNL     1      -3.712   8.313   1.285  1.00  0.00           O  
HETATM   86  O   UNL     1      -1.229   7.216   2.230  1.00  0.00           O  
HETATM   87  O   UNL     1       0.308   4.796   2.426  1.00  0.00           O  
HETATM   88  O   UNL     1       2.281   3.191   1.087  1.00  0.00           O  
HETATM   89  O   UNL     1       4.284   1.842  -2.191  1.00  0.00           O  
HETATM   90  O   UNL     1      11.103   2.724  -3.632  1.00  0.00           O  
HETATM   91  O   UNL     1      21.495  -5.102   2.780  1.00  0.00           O  
HETATM   92  O   UNL     1      22.826  -6.899   1.720  1.00  0.00           O  
HETATM   93  O   UNL     1     -21.617  -6.112  -0.072  1.00  0.00           O  
HETATM   94  O   UNL     1     -21.824  -8.152   1.312  1.00  0.00           O  
HETATM   95  S   UNL     1      21.830  -5.888   1.644  1.00  0.00           S  
HETATM   96  S   UNL     1     -21.076  -7.326   0.431  1.00  0.00           S  
HETATM   97 CL   UNL     1      22.651  -3.927  -2.277  1.00  0.00          Cl  
HETATM   98 CL   UNL     1     -16.975  -7.378   2.195  1.00  0.00          Cl  
HETATM   99  H   UNL     1      -9.761   5.576   2.673  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.787   5.127   1.252  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.301   8.601   1.844  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.983   6.920   1.355  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.430   8.970   1.488  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.691   9.167   2.728  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.544   7.541   4.152  1.00  0.00           H  
HETATM  106  H   UNL     1       0.717   7.345   2.912  1.00  0.00           H  
HETATM  107  H   UNL     1     -19.071  -1.498  -4.316  1.00  0.00           H  
HETATM  108  H   UNL     1     -20.219  -1.807  -2.991  1.00  0.00           H  
HETATM  109  H   UNL     1     -19.995  -0.152  -3.607  1.00  0.00           H  
HETATM  110  H   UNL     1     -17.993   1.138  -3.005  1.00  0.00           H  
HETATM  111  H   UNL     1     -12.862   0.092   0.839  1.00  0.00           H  
HETATM  112  H   UNL     1     -11.683   2.231   0.892  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.359   6.769   1.184  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.382   7.957   2.234  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.810   7.122   2.287  1.00  0.00           H  
HETATM  116  H   UNL     1      -9.174   7.987  -1.589  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.272   8.522  -0.292  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.592   5.638  -1.034  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.154   6.459  -1.277  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.560   7.730  -0.507  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.879   9.412  -0.018  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.493   9.738   0.417  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.175   8.056  -0.072  1.00  0.00           H  
HETATM  124  H   UNL     1       0.495   5.340   4.410  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.173   5.131   3.826  1.00  0.00           H  
HETATM  126  H   UNL     1      -0.562   2.971   2.853  1.00  0.00           H  
HETATM  127  H   UNL     1       1.107   3.181   3.436  1.00  0.00           H  
HETATM  128  H   UNL     1       0.949   1.653   1.448  1.00  0.00           H  
HETATM  129  H   UNL     1       0.309   3.014   0.496  1.00  0.00           H  
HETATM  130  H   UNL     1       2.272   2.919  -0.961  1.00  0.00           H  
HETATM  131  H   UNL     1       2.912   1.557  -0.010  1.00  0.00           H  
HETATM  132  H   UNL     1       4.248   4.281  -0.342  1.00  0.00           H  
HETATM  133  H   UNL     1       4.889   2.920   0.610  1.00  0.00           H  
HETATM  134  H   UNL     1       6.392   4.123  -0.111  1.00  0.00           H  
HETATM  135  H   UNL     1       7.116   4.821  -1.581  1.00  0.00           H  
HETATM  136  H   UNL     1       8.908   3.974  -0.142  1.00  0.00           H  
HETATM  137  H   UNL     1       8.115   2.384  -0.037  1.00  0.00           H  
HETATM  138  H   UNL     1       9.139   3.683  -2.602  1.00  0.00           H  
HETATM  139  H   UNL     1       8.646   1.451  -3.590  1.00  0.00           H  
HETATM  140  H   UNL     1       7.963   0.925  -2.032  1.00  0.00           H  
HETATM  141  H   UNL     1       6.948   3.209  -3.786  1.00  0.00           H  
HETATM  142  H   UNL     1       6.135   1.650  -3.492  1.00  0.00           H  
HETATM  143  H   UNL     1      12.003   1.058  -0.214  1.00  0.00           H  
HETATM  144  H   UNL     1      14.170   0.075   0.340  1.00  0.00           H  
HETATM  145  H   UNL     1      19.737  -0.444  -0.594  1.00  0.00           H  
HETATM  146  H   UNL     1      21.039  -1.583  -2.343  1.00  0.00           H  
HETATM  147  H   UNL     1      20.363  -8.382   1.952  1.00  0.00           H  
HETATM  148  H   UNL     1      19.406  -7.089   2.714  1.00  0.00           H  
HETATM  149  H   UNL     1      18.768  -7.947   1.291  1.00  0.00           H  
HETATM  150  H   UNL     1      21.171  -6.459  -1.132  1.00  0.00           H  
HETATM  151  H   UNL     1      21.394  -8.014  -0.294  1.00  0.00           H  
HETATM  152  H   UNL     1      19.799  -7.579  -0.955  1.00  0.00           H  
HETATM  153  H   UNL     1      18.455  -5.765   0.116  1.00  0.00           H  
HETATM  154  H   UNL     1      19.093  -4.907   1.539  1.00  0.00           H  
HETATM  155  H   UNL     1      19.827  -4.645  -0.061  1.00  0.00           H  
HETATM  156  H   UNL     1      20.969  -3.393   2.247  1.00  0.00           H  
HETATM  157  H   UNL     1      18.852   1.155   4.073  1.00  0.00           H  
HETATM  158  H   UNL     1      17.347   0.414   4.669  1.00  0.00           H  
HETATM  159  H   UNL     1      18.732  -0.614   4.232  1.00  0.00           H  
HETATM  160  H   UNL     1      15.955   1.434   2.919  1.00  0.00           H  
HETATM  161  H   UNL     1      15.653   1.094  -3.544  1.00  0.00           H  
HETATM  162  H   UNL     1     -16.520   2.105  -0.107  1.00  0.00           H  
HETATM  163  H   UNL     1     -20.263  -4.865  -0.345  1.00  0.00           H  
HETATM  164  H   UNL     1     -22.174  -9.432  -1.248  1.00  0.00           H  
HETATM  165  H   UNL     1     -22.025  -7.965  -2.244  1.00  0.00           H  
HETATM  166  H   UNL     1     -21.059  -9.408  -2.636  1.00  0.00           H  
HETATM  167  H   UNL     1     -19.181 -10.098  -1.139  1.00  0.00           H  
HETATM  168  H   UNL     1     -18.809  -9.147   0.319  1.00  0.00           H  
HETATM  169  H   UNL     1     -20.296 -10.123   0.248  1.00  0.00           H  
HETATM  170  H   UNL     1     -18.972  -8.038  -2.537  1.00  0.00           H  
HETATM  171  H   UNL     1     -19.938  -6.595  -2.145  1.00  0.00           H  
HETATM  172  H   UNL     1     -18.600  -7.086  -1.079  1.00  0.00           H  
HETATM  173  H   UNL     1     -15.493  -5.383   0.808  1.00  0.00           H  
HETATM  174  H   UNL     1     -16.197  -3.605  -0.740  1.00  0.00           H  
HETATM  175  H   UNL     1     -15.179  -0.961   0.942  1.00  0.00           H  
HETATM  176  H   UNL     1     -10.922   3.895   0.910  1.00  0.00           H  
HETATM  177  H   UNL     1      10.435   1.834  -0.751  1.00  0.00           H  
HETATM  178  H   UNL     1      16.801  -0.487  -1.927  1.00  0.00           H  
HETATM  179  H   UNL     1      19.846  -1.206   2.851  1.00  0.00           H  
HETATM  180  H   UNL     1      23.293  -4.962   0.130  1.00  0.00           H  
HETATM  181  H   UNL     1     -19.400  -3.264  -2.138  1.00  0.00           H  
HETATM  182  H   UNL     1     -19.661  -7.171   2.237  1.00  0.00           H  
CONECT    1   14   54   54   13                                       
CONECT    2   16   15   99  100                                       
CONECT    3   84   84    4   72                                       
CONECT    4   19    3  101  102                                       
CONECT    5   20   86  103  104                                       
CONECT    6   21   86  105  106                                       
CONECT    7    8  107  108  109                                       
CONECT    8   56    7    9    9                                       
CONECT    9    8    8   69  110                                       
CONECT   10   80   70   69   69                                       
CONECT   11   55   55   12   70                                       
CONECT   12   13   13   11  111                                       
CONECT   13    1   12   12  112                                       
CONECT   14   71   83   83    1                                       
CONECT   15   18    2   71  113                                       
CONECT   16   72    2  114  115                                       
CONECT   17   72   18  116  117                                       
CONECT   18   17   15  118  119                                       
CONECT   19   85    4  120  121                                       
CONECT   20   85    5  122  123                                       
CONECT   21   87    6  124  125                                       
CONECT   22   23   87  126  127                                       
CONECT   23   22   88  128  129                                       
CONECT   24   25   88  130  131                                       
CONECT   25   24   26  132  133                                       
CONECT   26   25   73   89   89                                       
CONECT   27   73   28  134  135                                       
CONECT   28   29   27  136  137                                       
CONECT   29   30   74   28  138                                       
CONECT   30   31   29  139  140                                       
CONECT   31   30   73  141  142                                       
CONECT   32   90   90   33   74                                       
CONECT   33   34   32   53   53                                       
CONECT   34   35   35   33  143                                       
CONECT   35   34   34   36  144                                       
CONECT   36   35   75   52   52                                       
CONECT   37   75   79   79   76                                       
CONECT   38   76   76   49   77                                       
CONECT   39   77   48   48   40                                       
CONECT   40   39   41   41  145                                       
CONECT   41   40   40   42  146                                       
CONECT   42   43   43   41   97                                       
CONECT   43   48   78   42   42                                       
CONECT   44   95   45   46   47                                       
CONECT   45   44  147  148  149                                       
CONECT   46   44  150  151  152                                       
CONECT   47   44  153  154  155                                       
CONECT   48   39   39   43  156                                       
CONECT   49   51   51   38   50                                       
CONECT   50   49  157  158  159                                       
CONECT   51   79   49   49  160                                       
CONECT   52   36   36   53  161                                       
CONECT   53   33   33   52   67                                       
CONECT   54   68    1    1   55                                       
CONECT   55   54   11   11  162                                       
CONECT   56   81   80   80    8                                       
CONECT   57   66   66   58   81                                       
CONECT   58   59   59   57  163                                       
CONECT   59   64   82   58   58                                       
CONECT   60   63   62   61   96                                       
CONECT   61   60  164  165  166                                       
CONECT   62   60  167  168  169                                       
CONECT   63   60  170  171  172                                       
CONECT   64   98   65   65   59                                       
CONECT   65   64   64   66  173                                       
CONECT   66   65   57   57  174                                       
CONECT   67   53                                                      
CONECT   68   54                                                      
CONECT   69   10   10    9                                            
CONECT   70   11   10  175                                            
CONECT   71   15   14  176                                            
CONECT   72    3   17   16                                            
CONECT   73   31   26   27                                            
CONECT   74   32   29  177                                            
CONECT   75   36   37  178                                            
CONECT   76   37   38   38                                            
CONECT   77   38   39  179                                            
CONECT   78   95   43  180                                            
CONECT   79   37   37   51                                            
CONECT   80   56   56   10                                            
CONECT   81   57   56  181                                            
CONECT   82   59   96  182                                            
CONECT   83   14   14                                                 
CONECT   84    3    3                                                 
CONECT   85   19   20                                                 
CONECT   86    6    5                                                 
CONECT   87   22   21                                                 
CONECT   88   23   24                                                 
CONECT   89   26   26                                                 
CONECT   90   32   32                                                 
CONECT   91   95   95                                                 
CONECT   92   95   95                                                 
CONECT   93   96   96                                                 
CONECT   94   96   96                                                 
CONECT   95   92   92   91   91                                       
CONECT   95   78   44                                                 
CONECT   96   60   82   94   94                                       
CONECT   96   93   93                                                 
CONECT   97   42                                                      
CONECT   98   64                                                      
CONECT   99    2                                                      
CONECT  100    2                                                      
CONECT  101    4                                                      
CONECT  102    4                                                      
CONECT  103    5                                                      
CONECT  104    5                                                      
CONECT  105    6                                                      
CONECT  106    6                                                      
CONECT  107    7                                                      
CONECT  108    7                                                      
CONECT  109    7                                                      
CONECT  110    9                                                      
CONECT  111   12                                                      
CONECT  112   13                                                      
CONECT  113   15                                                      
CONECT  114   16                                                      
CONECT  115   16                                                      
CONECT  116   17                                                      
CONECT  117   17                                                      
CONECT  118   18                                                      
CONECT  119   18                                                      
CONECT  120   19                                                      
CONECT  121   19                                                      
CONECT  122   20                                                      
CONECT  123   20                                                      
CONECT  124   21                                                      
CONECT  125   21                                                      
CONECT  126   22                                                      
CONECT  127   22                                                      
CONECT  128   23                                                      
CONECT  129   23                                                      
CONECT  130   24                                                      
CONECT  131   24                                                      
CONECT  132   25                                                      
CONECT  133   25                                                      
CONECT  134   27                                                      
CONECT  135   27                                                      
CONECT  136   28                                                      
CONECT  137   28                                                      
CONECT  138   29                                                      
CONECT  139   30                                                      
CONECT  140   30                                                      
CONECT  141   31                                                      
CONECT  142   31                                                      
CONECT  143   34                                                      
CONECT  144   35                                                      
CONECT  145   40                                                      
CONECT  146   41                                                      
CONECT  147   45                                                      
CONECT  148   45                                                      
CONECT  149   45                                                      
CONECT  150   46                                                      
CONECT  151   46                                                      
CONECT  152   46                                                      
CONECT  153   47                                                      
CONECT  154   47                                                      
CONECT  155   47                                                      
CONECT  156   48                                                      
CONECT  157   50                                                      
CONECT  158   50                                                      
CONECT  159   50                                                      
CONECT  160   51                                                      
CONECT  161   52                                                      
CONECT  162   55                                                      
CONECT  163   58                                                      
CONECT  164   61                                                      
CONECT  165   61                                                      
CONECT  166   61                                                      
CONECT  167   62                                                      
CONECT  168   62                                                      
CONECT  169   62                                                      
CONECT  170   63                                                      
CONECT  171   63                                                      
CONECT  172   63                                                      
CONECT  173   65                                                      
CONECT  174   66                                                      
CONECT  175   70                                                      
CONECT  176   71                                                      
CONECT  177   74                                                      
CONECT  178   75                                                      
CONECT  179   77                                                      
CONECT  180   78                                                      
CONECT  181   81                                                      
CONECT  182   82                                                      
MASTER        0    0    0    0    0    0    0    0  182    0  182    0
END
