COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.403  -4.898   0.831  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.764  -4.255   1.112  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.706  -4.546  -0.061  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.797  -4.640  -1.540  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.527  -5.046  -0.815  1.00  0.00           C  
HETATM    6  C   UNL     1     -15.390  16.231   2.205  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.434  14.702   2.240  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.135  14.141   1.657  1.00  0.00           C  
HETATM    9  C   UNL     1     -14.178  12.612   1.692  1.00  0.00           C  
HETATM   10  C   UNL     1     -12.880  12.052   1.109  1.00  0.00           C  
HETATM   11  C   UNL     1     -12.923  10.523   1.144  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.624   9.962   0.561  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.667   8.433   0.596  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.369   7.873   0.013  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.412   6.344   0.048  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.113   5.783  -0.536  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.156   4.254  -0.500  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.858   3.694  -1.084  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.901   2.165  -1.048  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.602   1.604  -1.632  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.506   1.971  -0.792  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.696   0.079  -1.712  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.793  -0.288  -2.552  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.397  -0.481  -2.295  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.541  -1.990  -2.503  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.912  -2.608  -1.269  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.074  -4.025  -1.354  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.957  -3.890   0.157  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.313  -4.802   2.312  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.859  -4.364  -0.497  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.964  -4.465  -1.992  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.552  -6.316   0.750  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.387  -6.991   1.999  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.565  -8.473   1.796  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.474  -9.264   1.488  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.636 -10.625   1.303  1.00  0.00           C  
HETATM   37 CL   UNL     1      -2.266 -11.619   0.917  1.00  0.00          Cl  
HETATM   38  C   UNL     1      -4.892 -11.195   1.427  1.00  0.00           C  
HETATM   39 CL   UNL     1      -5.098 -12.903   1.195  1.00  0.00          Cl  
HETATM   40  C   UNL     1      -5.983 -10.402   1.735  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.818  -9.043   1.925  1.00  0.00           C  
HETATM   42  N   UNL     1      -4.293  -0.219  -1.369  1.00  0.00           N  
HETATM   43  C   UNL     1      -3.029  -0.146  -1.831  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.806  -0.296  -3.014  1.00  0.00           O  
HETATM   45  C   UNL     1      -1.893   0.124  -0.878  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.574   0.157  -1.654  1.00  0.00           C  
HETATM   47  C   UNL     1       0.579   0.431  -0.687  1.00  0.00           C  
HETATM   48  C   UNL     1       1.898   0.465  -1.462  1.00  0.00           C  
HETATM   49  C   UNL     1       3.051   0.738  -0.495  1.00  0.00           C  
HETATM   50  C   UNL     1       4.370   0.772  -1.270  1.00  0.00           C  
HETATM   51  C   UNL     1       5.523   1.045  -0.303  1.00  0.00           C  
HETATM   52  C   UNL     1       6.842   1.079  -1.078  1.00  0.00           C  
HETATM   53  C   UNL     1       7.996   1.352  -0.111  1.00  0.00           C  
HETATM   54  C   UNL     1       9.314   1.386  -0.886  1.00  0.00           C  
HETATM   55  C   UNL     1      10.468   1.660   0.081  1.00  0.00           C  
HETATM   56  C   UNL     1      11.786   1.693  -0.694  1.00  0.00           C  
HETATM   57  C   UNL     1      12.940   1.967   0.273  1.00  0.00           C  
HETATM   58  C   UNL     1      14.258   2.000  -0.502  1.00  0.00           C  
HETATM   59  C   UNL     1      15.412   2.274   0.465  1.00  0.00           C  
HETATM   60  C   UNL     1      16.730   2.307  -0.310  1.00  0.00           C  
HETATM   61  C   UNL     1      17.884   2.581   0.657  1.00  0.00           C  
HETATM   62  C   UNL     1      19.203   2.614  -0.118  1.00  0.00           C  
HETATM   63  C   UNL     1      20.356   2.888   0.849  1.00  0.00           C  
HETATM   64  C   UNL     1      21.675   2.921   0.074  1.00  0.00           C  
HETATM   65  C   UNL     1      22.828   3.195   1.041  1.00  0.00           C  
HETATM   66  C   UNL     1      24.147   3.228   0.266  1.00  0.00           C  
HETATM   67  C   UNL     1      25.300   3.502   1.233  1.00  0.00           C  
HETATM   68  C   UNL     1      26.619   3.535   0.458  1.00  0.00           C  
HETATM   69  C   UNL     1      27.772   3.809   1.425  1.00  0.00           C  
HETATM   70  H   UNL     1      -3.709  -4.650   1.634  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.643  -3.177   1.223  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.867  -5.621  -0.141  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.841  -4.911   0.022  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.694  -6.111  -0.979  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.280  16.567   1.174  1.00  0.00           H  
HETATM   76  H   UNL     1     -16.316  16.630   2.620  1.00  0.00           H  
HETATM   77  H   UNL     1     -14.545  16.584   2.795  1.00  0.00           H  
HETATM   78  H   UNL     1     -15.544  14.365   3.271  1.00  0.00           H  
HETATM   79  H   UNL     1     -16.279  14.348   1.650  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.025  14.478   0.626  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.289  14.494   2.247  1.00  0.00           H  
HETATM   82  H   UNL     1     -14.288  12.275   2.723  1.00  0.00           H  
HETATM   83  H   UNL     1     -15.024  12.259   1.102  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.769  12.388   0.078  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.034  12.405   1.699  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.033  10.186   2.175  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.768  10.169   0.554  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.514  10.299  -0.470  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.778  10.315   1.151  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.778   8.096   1.627  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.513   8.080   0.006  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.258   8.209  -1.018  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.523   8.226   0.603  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.522   6.007   1.079  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.258   5.990  -0.542  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.003   6.120  -1.566  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.268   6.136   0.054  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.267   3.917   0.530  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.002   3.901  -1.090  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.748   4.030  -2.115  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.012   4.047  -0.493  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.012   1.828  -0.018  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.747   1.811  -1.638  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.447   2.012  -2.631  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.577   1.641   0.114  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.851  -0.328  -0.713  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.760   0.104  -3.435  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.191  -0.001  -3.251  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.310  -2.182  -3.251  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.591  -2.402  -2.845  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.720  -4.268  -2.198  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.603  -4.031  -0.549  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.180  -4.444   2.548  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.707  -3.287  -0.421  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.116  -4.850  -2.253  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.388  -6.794   2.388  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.131  -6.629   2.708  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.494  -8.820   1.392  1.00  0.00           H  
HETATM  119  H   UNL     1      -6.963 -10.845   1.831  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.669  -8.424   2.166  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.471  -0.099  -0.423  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.050   1.084  -0.388  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.853  -0.665  -0.128  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.417  -0.803  -2.144  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.614   0.947  -2.405  1.00  0.00           H  
HETATM  126  H   UNL     1       0.422   1.392  -0.196  1.00  0.00           H  
HETATM  127  H   UNL     1       0.619  -0.358   0.064  1.00  0.00           H  
HETATM  128  H   UNL     1       2.055  -0.496  -1.952  1.00  0.00           H  
HETATM  129  H   UNL     1       1.858   1.254  -2.213  1.00  0.00           H  
HETATM  130  H   UNL     1       2.894   1.699  -0.004  1.00  0.00           H  
HETATM  131  H   UNL     1       3.091  -0.051   0.256  1.00  0.00           H  
HETATM  132  H   UNL     1       4.528  -0.189  -1.760  1.00  0.00           H  
HETATM  133  H   UNL     1       4.330   1.561  -2.021  1.00  0.00           H  
HETATM  134  H   UNL     1       5.366   2.006   0.188  1.00  0.00           H  
HETATM  135  H   UNL     1       5.563   0.256   0.448  1.00  0.00           H  
HETATM  136  H   UNL     1       7.000   0.118  -1.569  1.00  0.00           H  
HETATM  137  H   UNL     1       6.802   1.868  -1.829  1.00  0.00           H  
HETATM  138  H   UNL     1       7.838   2.313   0.380  1.00  0.00           H  
HETATM  139  H   UNL     1       8.035   0.563   0.640  1.00  0.00           H  
HETATM  140  H   UNL     1       9.472   0.425  -1.377  1.00  0.00           H  
HETATM  141  H   UNL     1       9.274   2.175  -1.637  1.00  0.00           H  
HETATM  142  H   UNL     1      10.310   2.620   0.572  1.00  0.00           H  
HETATM  143  H   UNL     1      10.507   0.870   0.832  1.00  0.00           H  
HETATM  144  H   UNL     1      11.944   0.732  -1.185  1.00  0.00           H  
HETATM  145  H   UNL     1      11.747   2.482  -1.445  1.00  0.00           H  
HETATM  146  H   UNL     1      12.782   2.927   0.764  1.00  0.00           H  
HETATM  147  H   UNL     1      12.980   1.177   1.024  1.00  0.00           H  
HETATM  148  H   UNL     1      14.416   1.039  -0.993  1.00  0.00           H  
HETATM  149  H   UNL     1      14.219   2.789  -1.253  1.00  0.00           H  
HETATM  150  H   UNL     1      15.255   3.234   0.956  1.00  0.00           H  
HETATM  151  H   UNL     1      15.452   1.484   1.216  1.00  0.00           H  
HETATM  152  H   UNL     1      16.888   1.347  -0.801  1.00  0.00           H  
HETATM  153  H   UNL     1      16.691   3.096  -1.061  1.00  0.00           H  
HETATM  154  H   UNL     1      17.727   3.541   1.148  1.00  0.00           H  
HETATM  155  H   UNL     1      17.924   1.791   1.408  1.00  0.00           H  
HETATM  156  H   UNL     1      19.360   1.654  -0.609  1.00  0.00           H  
HETATM  157  H   UNL     1      19.163   3.403  -0.869  1.00  0.00           H  
HETATM  158  H   UNL     1      20.199   3.848   1.340  1.00  0.00           H  
HETATM  159  H   UNL     1      20.396   2.099   1.600  1.00  0.00           H  
HETATM  160  H   UNL     1      21.832   1.961  -0.417  1.00  0.00           H  
HETATM  161  H   UNL     1      21.635   3.711  -0.677  1.00  0.00           H  
HETATM  162  H   UNL     1      22.671   4.155   1.532  1.00  0.00           H  
HETATM  163  H   UNL     1      22.868   2.406   1.792  1.00  0.00           H  
HETATM  164  H   UNL     1      24.304   2.268  -0.225  1.00  0.00           H  
HETATM  165  H   UNL     1      24.107   4.018  -0.485  1.00  0.00           H  
HETATM  166  H   UNL     1      25.143   4.463   1.724  1.00  0.00           H  
HETATM  167  H   UNL     1      25.340   2.713   1.984  1.00  0.00           H  
HETATM  168  H   UNL     1      26.776   2.575  -0.033  1.00  0.00           H  
HETATM  169  H   UNL     1      26.579   4.325  -0.293  1.00  0.00           H  
HETATM  170  H   UNL     1      28.712   3.833   0.873  1.00  0.00           H  
HETATM  171  H   UNL     1      27.615   4.770   1.916  1.00  0.00           H  
HETATM  172  H   UNL     1      27.812   3.020   2.176  1.00  0.00           H  
CONECT    1    2   32   30   70                                       
CONECT    2   29    3    1   71                                       
CONECT    3   28    2   27   72                                       
CONECT    4   27   30                                                 
CONECT    5   30   31   73   74                                       
CONECT    6    7   75   76   77                                       
CONECT    7    6    8   78   79                                       
CONECT    8    7    9   80   81                                       
CONECT    9    8   10   82   83                                       
CONECT   10    9   11   84   85                                       
CONECT   11   10   12   86   87                                       
CONECT   12   11   13   88   89                                       
CONECT   13   12   14   90   91                                       
CONECT   14   13   15   92   93                                       
CONECT   15   14   16   94   95                                       
CONECT   16   15   17   96   97                                       
CONECT   17   16   18   98   99                                       
CONECT   18   17   19  100  101                                       
CONECT   19   18   20  102  103                                       
CONECT   20   21   19   22  104                                       
CONECT   21   20  105                                                 
CONECT   22   20   23   24  106                                       
CONECT   23   22  107                                                 
CONECT   24   22   42   25  108                                       
CONECT   25   24   26  109  110                                       
CONECT   26   25   27                                                 
CONECT   27    3   26    4  111                                       
CONECT   28    3  112                                                 
CONECT   29    2  113                                                 
CONECT   30    1    4    5  114                                       
CONECT   31    5  115                                                 
CONECT   32    1   33                                                 
CONECT   33   32   34  116  117                                       
CONECT   34   41   41   35   33                                       
CONECT   35   36   36   34  118                                       
CONECT   36   38   37   35   35                                       
CONECT   37   36                                                      
CONECT   38   39   40   40   36                                       
CONECT   39   38                                                      
CONECT   40   38   38   41  119                                       
CONECT   41   40   34   34  120                                       
CONECT   42   24   43  121                                            
CONECT   43   42   45   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   43   46  122  123                                       
CONECT   46   47   45  124  125                                       
CONECT   47   48   46  126  127                                       
CONECT   48   49   47  128  129                                       
CONECT   49   50   48  130  131                                       
CONECT   50   51   49  132  133                                       
CONECT   51   52   50  134  135                                       
CONECT   52   51   53  136  137                                       
CONECT   53   52   54  138  139                                       
CONECT   54   53   55  140  141                                       
CONECT   55   54   56  142  143                                       
CONECT   56   55   57  144  145                                       
CONECT   57   56   58  146  147                                       
CONECT   58   57   59  148  149                                       
CONECT   59   58   60  150  151                                       
CONECT   60   59   61  152  153                                       
CONECT   61   60   62  154  155                                       
CONECT   62   63   61  156  157                                       
CONECT   63   64   62  158  159                                       
CONECT   64   65   63  160  161                                       
CONECT   65   66   64  162  163                                       
CONECT   66   67   65  164  165                                       
CONECT   67   68   66  166  167                                       
CONECT   68   69   67  168  169                                       
CONECT   69   68  170  171  172                                       
CONECT   70    1                                                      
CONECT   71    2                                                      
CONECT   72    3                                                      
CONECT   73    5                                                      
CONECT   74    5                                                      
CONECT   75    6                                                      
CONECT   76    6                                                      
CONECT   77    6                                                      
CONECT   78    7                                                      
CONECT   79    7                                                      
CONECT   80    8                                                      
CONECT   81    8                                                      
CONECT   82    9                                                      
CONECT   83    9                                                      
CONECT   84   10                                                      
CONECT   85   10                                                      
CONECT   86   11                                                      
CONECT   87   11                                                      
CONECT   88   12                                                      
CONECT   89   12                                                      
CONECT   90   13                                                      
CONECT   91   13                                                      
CONECT   92   14                                                      
CONECT   93   14                                                      
CONECT   94   15                                                      
CONECT   95   15                                                      
CONECT   96   16                                                      
CONECT   97   16                                                      
CONECT   98   17                                                      
CONECT   99   17                                                      
CONECT  100   18                                                      
CONECT  101   18                                                      
CONECT  102   19                                                      
CONECT  103   19                                                      
CONECT  104   20                                                      
CONECT  105   21                                                      
CONECT  106   22                                                      
CONECT  107   23                                                      
CONECT  108   24                                                      
CONECT  109   25                                                      
CONECT  110   25                                                      
CONECT  111   27                                                      
CONECT  112   28                                                      
CONECT  113   29                                                      
CONECT  114   30                                                      
CONECT  115   31                                                      
CONECT  116   33                                                      
CONECT  117   33                                                      
CONECT  118   35                                                      
CONECT  119   40                                                      
CONECT  120   41                                                      
CONECT  121   42                                                      
CONECT  122   45                                                      
CONECT  123   45                                                      
CONECT  124   46                                                      
CONECT  125   46                                                      
CONECT  126   47                                                      
CONECT  127   47                                                      
CONECT  128   48                                                      
CONECT  129   48                                                      
CONECT  130   49                                                      
CONECT  131   49                                                      
CONECT  132   50                                                      
CONECT  133   50                                                      
CONECT  134   51                                                      
CONECT  135   51                                                      
CONECT  136   52                                                      
CONECT  137   52                                                      
CONECT  138   53                                                      
CONECT  139   53                                                      
CONECT  140   54                                                      
CONECT  141   54                                                      
CONECT  142   55                                                      
CONECT  143   55                                                      
CONECT  144   56                                                      
CONECT  145   56                                                      
CONECT  146   57                                                      
CONECT  147   57                                                      
CONECT  148   58                                                      
CONECT  149   58                                                      
CONECT  150   59                                                      
CONECT  151   59                                                      
CONECT  152   60                                                      
CONECT  153   60                                                      
CONECT  154   61                                                      
CONECT  155   61                                                      
CONECT  156   62                                                      
CONECT  157   62                                                      
CONECT  158   63                                                      
CONECT  159   63                                                      
CONECT  160   64                                                      
CONECT  161   64                                                      
CONECT  162   65                                                      
CONECT  163   65                                                      
CONECT  164   66                                                      
CONECT  165   66                                                      
CONECT  166   67                                                      
CONECT  167   67                                                      
CONECT  168   68                                                      
CONECT  169   68                                                      
CONECT  170   69                                                      
CONECT  171   69                                                      
CONECT  172   69                                                      
MASTER        0    0    0    0    0    0    0    0  172    0  172    0
END
