COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -26.297   6.129  -0.972  1.00  0.00           C  
HETATM    2  C   UNL     1     -25.183   5.522  -0.117  1.00  0.00           C  
HETATM    3  C   UNL     1     -23.872   5.535  -0.906  1.00  0.00           C  
HETATM    4  C   UNL     1     -22.757   4.928  -0.052  1.00  0.00           C  
HETATM    5  C   UNL     1     -21.446   4.940  -0.840  1.00  0.00           C  
HETATM    6  C   UNL     1     -20.331   4.333   0.014  1.00  0.00           C  
HETATM    7  C   UNL     1     -19.020   4.345  -0.775  1.00  0.00           C  
HETATM    8  C   UNL     1     -17.905   3.738   0.080  1.00  0.00           C  
HETATM    9  C   UNL     1     -16.594   3.751  -0.709  1.00  0.00           C  
HETATM   10  C   UNL     1     -15.479   3.144   0.146  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.168   3.156  -0.643  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.054   2.549   0.211  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.743   2.562  -0.577  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.628   1.955   0.277  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.317   1.967  -0.512  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.202   1.360   0.343  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.891   1.372  -0.446  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.776   0.766   0.408  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.465   0.778  -0.380  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.350   0.171   0.474  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.039   0.183  -0.315  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.925  -0.424   0.540  1.00  0.00           C  
HETATM   23  C   UNL     1       0.387  -0.412  -0.249  1.00  0.00           C  
HETATM   24  C   UNL     1       1.501  -1.018   0.605  1.00  0.00           C  
HETATM   25  C   UNL     1       2.812  -1.006  -0.183  1.00  0.00           C  
HETATM   26  C   UNL     1       3.910  -1.604   0.658  1.00  0.00           C  
HETATM   27  O   UNL     1       3.668  -2.000   1.778  1.00  0.00           O  
HETATM   28  N   UNL     1       5.161  -1.697   0.166  1.00  0.00           N  
HETATM   29  C   UNL     1       6.229  -2.279   0.984  1.00  0.00           C  
HETATM   30  C   UNL     1       7.581  -1.734   0.520  1.00  0.00           C  
HETATM   31  O   UNL     1       8.630  -2.396   1.230  1.00  0.00           O  
HETATM   32  C   UNL     1       7.648  -0.231   0.795  1.00  0.00           C  
HETATM   33  O   UNL     1       6.599   0.431   0.086  1.00  0.00           O  
HETATM   34  C   UNL     1       9.000   0.314   0.331  1.00  0.00           C  
HETATM   35  C   UNL     1       9.116   1.789   0.719  1.00  0.00           C  
HETATM   36  C   UNL     1      10.469   2.333   0.254  1.00  0.00           C  
HETATM   37  C   UNL     1      10.585   3.809   0.642  1.00  0.00           C  
HETATM   38  C   UNL     1      11.937   4.353   0.178  1.00  0.00           C  
HETATM   39  C   UNL     1      12.054   5.829   0.566  1.00  0.00           C  
HETATM   40  C   UNL     1      13.406   6.373   0.101  1.00  0.00           C  
HETATM   41  C   UNL     1      13.523   7.848   0.489  1.00  0.00           C  
HETATM   42  C   UNL     1      14.875   8.393   0.025  1.00  0.00           C  
HETATM   43  C   UNL     1      14.991   9.868   0.413  1.00  0.00           C  
HETATM   44  C   UNL     1      16.344  10.413  -0.052  1.00  0.00           C  
HETATM   45  C   UNL     1      16.460  11.888   0.336  1.00  0.00           C  
HETATM   46  C   UNL     1      17.812  12.432  -0.128  1.00  0.00           C  
HETATM   47  C   UNL     1      17.928  13.908   0.260  1.00  0.00           C  
HETATM   48  C   UNL     1       6.214  -3.801   0.836  1.00  0.00           C  
HETATM   49  O   UNL     1       6.521  -4.151  -0.515  1.00  0.00           O  
HETATM   50  C   UNL     1       6.533  -5.558  -0.763  1.00  0.00           C  
HETATM   51  O   UNL     1       5.199  -6.066  -0.695  1.00  0.00           O  
HETATM   52  C   UNL     1       7.110  -5.827  -2.156  1.00  0.00           C  
HETATM   53  O   UNL     1       8.423  -5.271  -2.244  1.00  0.00           O  
HETATM   54  C   UNL     1       6.205  -5.178  -3.208  1.00  0.00           C  
HETATM   55  O   UNL     1       6.695  -5.485  -4.515  1.00  0.00           O  
HETATM   56  C   UNL     1       4.784  -5.726  -3.051  1.00  0.00           C  
HETATM   57  O   UNL     1       4.784  -7.133  -3.303  1.00  0.00           O  
HETATM   58  C   UNL     1       4.297  -5.461  -1.624  1.00  0.00           C  
HETATM   59  C   UNL     1       2.901  -6.059  -1.442  1.00  0.00           C  
HETATM   60  O   UNL     1       2.391  -5.707  -0.129  1.00  0.00           O  
HETATM   61  C   UNL     1       1.164  -6.159   0.192  1.00  0.00           C  
HETATM   62  O   UNL     1       0.536  -6.829  -0.604  1.00  0.00           O  
HETATM   63  N   UNL     1       0.632  -5.867   1.395  1.00  0.00           N  
HETATM   64  C   UNL     1      -0.684  -6.246   1.689  1.00  0.00           C  
HETATM   65  C   UNL     1      -1.032  -6.600   2.986  1.00  0.00           C  
HETATM   66  C   UNL     1      -2.331  -6.973   3.274  1.00  0.00           C  
HETATM   67  C   UNL     1      -3.284  -6.995   2.271  1.00  0.00           C  
HETATM   68 CL   UNL     1      -4.915  -7.464   2.635  1.00  0.00          Cl  
HETATM   69  C   UNL     1      -2.939  -6.643   0.978  1.00  0.00           C  
HETATM   70  C   UNL     1      -1.643  -6.264   0.686  1.00  0.00           C  
HETATM   71  H   UNL     1     -26.416   5.543  -1.883  1.00  0.00           H  
HETATM   72  H   UNL     1     -27.231   6.120  -0.410  1.00  0.00           H  
HETATM   73  H   UNL     1     -26.039   7.156  -1.231  1.00  0.00           H  
HETATM   74  H   UNL     1     -25.064   6.108   0.794  1.00  0.00           H  
HETATM   75  H   UNL     1     -25.441   4.496   0.142  1.00  0.00           H  
HETATM   76  H   UNL     1     -23.990   4.949  -1.817  1.00  0.00           H  
HETATM   77  H   UNL     1     -23.613   6.561  -1.165  1.00  0.00           H  
HETATM   78  H   UNL     1     -22.638   5.513   0.860  1.00  0.00           H  
HETATM   79  H   UNL     1     -23.015   3.901   0.207  1.00  0.00           H  
HETATM   80  H   UNL     1     -21.565   4.354  -1.752  1.00  0.00           H  
HETATM   81  H   UNL     1     -21.187   5.967  -1.099  1.00  0.00           H  
HETATM   82  H   UNL     1     -20.212   4.919   0.926  1.00  0.00           H  
HETATM   83  H   UNL     1     -20.590   3.306   0.273  1.00  0.00           H  
HETATM   84  H   UNL     1     -19.139   3.760  -1.686  1.00  0.00           H  
HETATM   85  H   UNL     1     -18.761   5.372  -1.033  1.00  0.00           H  
HETATM   86  H   UNL     1     -17.786   4.324   0.991  1.00  0.00           H  
HETATM   87  H   UNL     1     -18.164   2.712   0.339  1.00  0.00           H  
HETATM   88  H   UNL     1     -16.713   3.165  -1.620  1.00  0.00           H  
HETATM   89  H   UNL     1     -16.336   4.777  -0.968  1.00  0.00           H  
HETATM   90  H   UNL     1     -15.361   3.730   1.057  1.00  0.00           H  
HETATM   91  H   UNL     1     -15.738   2.117   0.405  1.00  0.00           H  
HETATM   92  H   UNL     1     -14.287   2.570  -1.555  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.910   4.183  -0.902  1.00  0.00           H  
HETATM   94  H   UNL     1     -12.935   3.135   1.123  1.00  0.00           H  
HETATM   95  H   UNL     1     -13.312   1.523   0.470  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.861   1.976  -1.489  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.484   3.588  -0.836  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.509   2.540   1.189  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.887   0.928   0.536  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.436   1.381  -1.423  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.058   2.994  -0.771  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.083   1.946   1.254  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.461   0.333   0.602  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.010   0.787  -1.358  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.632   2.399  -0.705  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.657   1.351   1.320  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.035  -0.261   0.667  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.584   0.192  -1.292  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.207   1.804  -0.639  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.231   0.757   1.386  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.609  -0.856   0.733  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.158  -0.403  -1.226  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.781   1.210  -0.573  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.806   0.162   1.451  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.183  -1.450   0.799  1.00  0.00           H  
HETATM  116  H   UNL     1       0.268  -0.997  -1.161  1.00  0.00           H  
HETATM  117  H   UNL     1       0.645   0.615  -0.508  1.00  0.00           H  
HETATM  118  H   UNL     1       1.620  -0.433   1.517  1.00  0.00           H  
HETATM  119  H   UNL     1       1.243  -2.045   0.864  1.00  0.00           H  
HETATM  120  H   UNL     1       2.693  -1.592  -1.095  1.00  0.00           H  
HETATM  121  H   UNL     1       3.071   0.021  -0.442  1.00  0.00           H  
HETATM  122  H   UNL     1       5.355  -1.380  -0.730  1.00  0.00           H  
HETATM  123  H   UNL     1       6.070  -2.014   2.030  1.00  0.00           H  
HETATM  124  H   UNL     1       7.697  -1.913  -0.549  1.00  0.00           H  
HETATM  125  H   UNL     1       8.548  -2.342   2.192  1.00  0.00           H  
HETATM  126  H   UNL     1       7.532  -0.052   1.865  1.00  0.00           H  
HETATM  127  H   UNL     1       6.639   0.315  -0.874  1.00  0.00           H  
HETATM  128  H   UNL     1       9.802  -0.251   0.806  1.00  0.00           H  
HETATM  129  H   UNL     1       9.079   0.215  -0.752  1.00  0.00           H  
HETATM  130  H   UNL     1       8.315   2.354   0.244  1.00  0.00           H  
HETATM  131  H   UNL     1       9.038   1.887   1.802  1.00  0.00           H  
HETATM  132  H   UNL     1      11.271   1.768   0.730  1.00  0.00           H  
HETATM  133  H   UNL     1      10.547   2.235  -0.828  1.00  0.00           H  
HETATM  134  H   UNL     1       9.783   4.374   0.167  1.00  0.00           H  
HETATM  135  H   UNL     1      10.506   3.907   1.725  1.00  0.00           H  
HETATM  136  H   UNL     1      12.739   3.788   0.653  1.00  0.00           H  
HETATM  137  H   UNL     1      12.016   4.255  -0.905  1.00  0.00           H  
HETATM  138  H   UNL     1      11.252   6.394   0.090  1.00  0.00           H  
HETATM  139  H   UNL     1      11.975   5.927   1.649  1.00  0.00           H  
HETATM  140  H   UNL     1      14.208   5.808   0.577  1.00  0.00           H  
HETATM  141  H   UNL     1      13.485   6.275  -0.981  1.00  0.00           H  
HETATM  142  H   UNL     1      12.721   8.413   0.014  1.00  0.00           H  
HETATM  143  H   UNL     1      13.444   7.947   1.572  1.00  0.00           H  
HETATM  144  H   UNL     1      15.677   7.828   0.500  1.00  0.00           H  
HETATM  145  H   UNL     1      14.953   8.295  -1.058  1.00  0.00           H  
HETATM  146  H   UNL     1      14.189  10.433  -0.062  1.00  0.00           H  
HETATM  147  H   UNL     1      14.912   9.966   1.495  1.00  0.00           H  
HETATM  148  H   UNL     1      17.145   9.847   0.424  1.00  0.00           H  
HETATM  149  H   UNL     1      16.422  10.314  -1.135  1.00  0.00           H  
HETATM  150  H   UNL     1      15.658  12.453  -0.139  1.00  0.00           H  
HETATM  151  H   UNL     1      16.381  11.986   1.419  1.00  0.00           H  
HETATM  152  H   UNL     1      18.614  11.867   0.347  1.00  0.00           H  
HETATM  153  H   UNL     1      17.891  12.334  -1.211  1.00  0.00           H  
HETATM  154  H   UNL     1      18.892  14.295  -0.071  1.00  0.00           H  
HETATM  155  H   UNL     1      17.127  14.473  -0.216  1.00  0.00           H  
HETATM  156  H   UNL     1      17.850  14.006   1.342  1.00  0.00           H  
HETATM  157  H   UNL     1       6.957  -4.239   1.502  1.00  0.00           H  
HETATM  158  H   UNL     1       5.225  -4.182   1.093  1.00  0.00           H  
HETATM  159  H   UNL     1       7.149  -6.054  -0.013  1.00  0.00           H  
HETATM  160  H   UNL     1       7.157  -6.902  -2.329  1.00  0.00           H  
HETATM  161  H   UNL     1       9.048  -5.634  -1.602  1.00  0.00           H  
HETATM  162  H   UNL     1       6.197  -4.097  -3.065  1.00  0.00           H  
HETATM  163  H   UNL     1       7.595  -5.173  -4.681  1.00  0.00           H  
HETATM  164  H   UNL     1       4.122  -5.228  -3.760  1.00  0.00           H  
HETATM  165  H   UNL     1       5.086  -7.373  -4.189  1.00  0.00           H  
HETATM  166  H   UNL     1       4.259  -4.386  -1.446  1.00  0.00           H  
HETATM  167  H   UNL     1       2.234  -5.664  -2.209  1.00  0.00           H  
HETATM  168  H   UNL     1       2.955  -7.144  -1.531  1.00  0.00           H  
HETATM  169  H   UNL     1       1.160  -5.395   2.058  1.00  0.00           H  
HETATM  170  H   UNL     1      -0.289  -6.584   3.769  1.00  0.00           H  
HETATM  171  H   UNL     1      -2.602  -7.248   4.282  1.00  0.00           H  
HETATM  172  H   UNL     1      -3.685  -6.661   0.197  1.00  0.00           H  
HETATM  173  H   UNL     1      -1.375  -5.989  -0.323  1.00  0.00           H  
CONECT    1    2   71   72   73                                       
CONECT    2    1    3   74   75                                       
CONECT    3    2    4   76   77                                       
CONECT    4    3    5   78   79                                       
CONECT    5    4    6   80   81                                       
CONECT    6    5    7   82   83                                       
CONECT    7    6    8   84   85                                       
CONECT    8    7    9   86   87                                       
CONECT    9   10    8   88   89                                       
CONECT   10   11    9   90   91                                       
CONECT   11   12   10   92   93                                       
CONECT   12   13   11   94   95                                       
CONECT   13   14   12   96   97                                       
CONECT   14   15   13   98   99                                       
CONECT   15   16   14  100  101                                       
CONECT   16   17   15  102  103                                       
CONECT   17   18   16  104  105                                       
CONECT   18   19   17  106  107                                       
CONECT   19   18   20  108  109                                       
CONECT   20   21   19  110  111                                       
CONECT   21   20   22  112  113                                       
CONECT   22   21   23  114  115                                       
CONECT   23   22   24  116  117                                       
CONECT   24   23   25  118  119                                       
CONECT   25   24   26  120  121                                       
CONECT   26   28   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   29   26  122                                            
CONECT   29   30   28   48  123                                       
CONECT   30   32   31   29  124                                       
CONECT   31   30  125                                                 
CONECT   32   33   34   30  126                                       
CONECT   33   32  127                                                 
CONECT   34   35   32  128  129                                       
CONECT   35   36   34  130  131                                       
CONECT   36   37   35  132  133                                       
CONECT   37   38   36  134  135                                       
CONECT   38   39   37  136  137                                       
CONECT   39   40   38  138  139                                       
CONECT   40   41   39  140  141                                       
CONECT   41   42   40  142  143                                       
CONECT   42   43   41  144  145                                       
CONECT   43   44   42  146  147                                       
CONECT   44   45   43  148  149                                       
CONECT   45   46   44  150  151                                       
CONECT   46   47   45  152  153                                       
CONECT   47   46  154  155  156                                       
CONECT   48   29   49  157  158                                       
CONECT   49   50   48                                                 
CONECT   50   52   49   51  159                                       
CONECT   51   50   58                                                 
CONECT   52   53   54   50  160                                       
CONECT   53   52  161                                                 
CONECT   54   55   52   56  162                                       
CONECT   55   54  163                                                 
CONECT   56   54   58   57  164                                       
CONECT   57   56  165                                                 
CONECT   58   56   51   59  166                                       
CONECT   59   58   60  167  168                                       
CONECT   60   59   61                                                 
CONECT   61   60   63   62   62                                       
CONECT   62   61   61                                                 
CONECT   63   61   64  169                                            
CONECT   64   70   63   65   65                                       
CONECT   65   64   64   66  170                                       
CONECT   66   67   67   65  171                                       
CONECT   67   69   66   66   68                                       
CONECT   68   67                                                      
CONECT   69   70   70   67  172                                       
CONECT   70   69   69   64  173                                       
CONECT   71    1                                                      
CONECT   72    1                                                      
CONECT   73    1                                                      
CONECT   74    2                                                      
CONECT   75    2                                                      
CONECT   76    3                                                      
CONECT   77    3                                                      
CONECT   78    4                                                      
CONECT   79    4                                                      
CONECT   80    5                                                      
CONECT   81    5                                                      
CONECT   82    6                                                      
CONECT   83    6                                                      
CONECT   84    7                                                      
CONECT   85    7                                                      
CONECT   86    8                                                      
CONECT   87    8                                                      
CONECT   88    9                                                      
CONECT   89    9                                                      
CONECT   90   10                                                      
CONECT   91   10                                                      
CONECT   92   11                                                      
CONECT   93   11                                                      
CONECT   94   12                                                      
CONECT   95   12                                                      
CONECT   96   13                                                      
CONECT   97   13                                                      
CONECT   98   14                                                      
CONECT   99   14                                                      
CONECT  100   15                                                      
CONECT  101   15                                                      
CONECT  102   16                                                      
CONECT  103   16                                                      
CONECT  104   17                                                      
CONECT  105   17                                                      
CONECT  106   18                                                      
CONECT  107   18                                                      
CONECT  108   19                                                      
CONECT  109   19                                                      
CONECT  110   20                                                      
CONECT  111   20                                                      
CONECT  112   21                                                      
CONECT  113   21                                                      
CONECT  114   22                                                      
CONECT  115   22                                                      
CONECT  116   23                                                      
CONECT  117   23                                                      
CONECT  118   24                                                      
CONECT  119   24                                                      
CONECT  120   25                                                      
CONECT  121   25                                                      
CONECT  122   28                                                      
CONECT  123   29                                                      
CONECT  124   30                                                      
CONECT  125   31                                                      
CONECT  126   32                                                      
CONECT  127   33                                                      
CONECT  128   34                                                      
CONECT  129   34                                                      
CONECT  130   35                                                      
CONECT  131   35                                                      
CONECT  132   36                                                      
CONECT  133   36                                                      
CONECT  134   37                                                      
CONECT  135   37                                                      
CONECT  136   38                                                      
CONECT  137   38                                                      
CONECT  138   39                                                      
CONECT  139   39                                                      
CONECT  140   40                                                      
CONECT  141   40                                                      
CONECT  142   41                                                      
CONECT  143   41                                                      
CONECT  144   42                                                      
CONECT  145   42                                                      
CONECT  146   43                                                      
CONECT  147   43                                                      
CONECT  148   44                                                      
CONECT  149   44                                                      
CONECT  150   45                                                      
CONECT  151   45                                                      
CONECT  152   46                                                      
CONECT  153   46                                                      
CONECT  154   47                                                      
CONECT  155   47                                                      
CONECT  156   47                                                      
CONECT  157   48                                                      
CONECT  158   48                                                      
CONECT  159   50                                                      
CONECT  160   52                                                      
CONECT  161   53                                                      
CONECT  162   54                                                      
CONECT  163   55                                                      
CONECT  164   56                                                      
CONECT  165   57                                                      
CONECT  166   58                                                      
CONECT  167   59                                                      
CONECT  168   59                                                      
CONECT  169   63                                                      
CONECT  170   65                                                      
CONECT  171   66                                                      
CONECT  172   69                                                      
CONECT  173   70                                                      
MASTER        0    0    0    0    0    0    0    0  173    0  173    0
END
