COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      17.580   0.088   1.119  1.00  0.00           C  
HETATM    2  O   UNL     1      17.247  -0.106   2.269  1.00  0.00           O  
HETATM    3  C   UNL     1      18.852  -0.524   0.590  1.00  0.00           C  
HETATM    4  N   UNL     1      16.811   0.846   0.313  1.00  0.00           N  
HETATM    5  C   UNL     1      15.530   1.365   0.798  1.00  0.00           C  
HETATM    6  C   UNL     1      14.426   0.410   0.422  1.00  0.00           C  
HETATM    7  O   UNL     1      14.684  -0.604  -0.191  1.00  0.00           O  
HETATM    8  C   UNL     1      15.260   2.731   0.165  1.00  0.00           C  
HETATM    9  C   UNL     1      16.291   3.720   0.646  1.00  0.00           C  
HETATM   10  O   UNL     1      17.087   3.398   1.495  1.00  0.00           O  
HETATM   11  O   UNL     1      16.324   4.959   0.130  1.00  0.00           O  
HETATM   12  N   UNL     1      13.153   0.684   0.768  1.00  0.00           N  
HETATM   13  C   UNL     1      12.080  -0.244   0.402  1.00  0.00           C  
HETATM   14  C   UNL     1      10.773   0.503   0.325  1.00  0.00           C  
HETATM   15  O   UNL     1      10.742   1.694   0.553  1.00  0.00           O  
HETATM   16  C   UNL     1      11.975  -1.345   1.460  1.00  0.00           C  
HETATM   17  C   UNL     1      13.236  -2.171   1.452  1.00  0.00           C  
HETATM   18  C   UNL     1      14.300  -1.815   2.260  1.00  0.00           C  
HETATM   19  C   UNL     1      13.327  -3.286   0.640  1.00  0.00           C  
HETATM   20  C   UNL     1      15.457  -2.572   2.252  1.00  0.00           C  
HETATM   21  C   UNL     1      14.483  -4.043   0.633  1.00  0.00           C  
HETATM   22  C   UNL     1      15.549  -3.685   1.437  1.00  0.00           C  
HETATM   23  N   UNL     1       9.640  -0.152   0.003  1.00  0.00           N  
HETATM   24  C   UNL     1       8.370   0.575  -0.072  1.00  0.00           C  
HETATM   25  C   UNL     1       7.230  -0.380   0.166  1.00  0.00           C  
HETATM   26  O   UNL     1       7.455  -1.553   0.377  1.00  0.00           O  
HETATM   27  C   UNL     1       8.226   1.207  -1.458  1.00  0.00           C  
HETATM   28  C   UNL     1       9.311   2.268  -1.651  1.00  0.00           C  
HETATM   29  C   UNL     1       9.245   2.811  -3.080  1.00  0.00           C  
HETATM   30  C   UNL     1       9.088   3.412  -0.659  1.00  0.00           C  
HETATM   31  N   UNL     1       5.959   0.068   0.144  1.00  0.00           N  
HETATM   32  C   UNL     1       4.850  -0.861   0.375  1.00  0.00           C  
HETATM   33  C   UNL     1       3.602  -0.325  -0.276  1.00  0.00           C  
HETATM   34  O   UNL     1       3.635   0.729  -0.875  1.00  0.00           O  
HETATM   35  C   UNL     1       4.616  -1.011   1.880  1.00  0.00           C  
HETATM   36  N   UNL     1       2.448  -1.017  -0.194  1.00  0.00           N  
HETATM   37  C   UNL     1       1.234  -0.496  -0.827  1.00  0.00           C  
HETATM   38  C   UNL     1       0.023  -1.054  -0.126  1.00  0.00           C  
HETATM   39  O   UNL     1       0.159  -1.812   0.811  1.00  0.00           O  
HETATM   40  C   UNL     1       1.208  -0.913  -2.299  1.00  0.00           C  
HETATM   41  C   UNL     1       2.369  -0.246  -3.039  1.00  0.00           C  
HETATM   42  C   UNL     1       2.343  -0.656  -4.489  1.00  0.00           C  
HETATM   43  O   UNL     1       1.485  -1.406  -4.889  1.00  0.00           O  
HETATM   44  O   UNL     1       3.275  -0.189  -5.335  1.00  0.00           O  
HETATM   45  N   UNL     1      -1.213  -0.711  -0.540  1.00  0.00           N  
HETATM   46  C   UNL     1      -2.391  -1.253   0.142  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.640  -0.717  -0.510  1.00  0.00           C  
HETATM   48  O   UNL     1      -3.554   0.043  -1.451  1.00  0.00           O  
HETATM   49  N   UNL     1      -4.852  -1.082  -0.046  1.00  0.00           N  
HETATM   50  C   UNL     1      -6.065  -0.561  -0.680  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.277  -1.118   0.022  1.00  0.00           C  
HETATM   52  O   UNL     1      -7.140  -1.876   0.959  1.00  0.00           O  
HETATM   53  N   UNL     1      -8.513  -0.775  -0.392  1.00  0.00           N  
HETATM   54  C   UNL     1      -9.691  -1.317   0.290  1.00  0.00           C  
HETATM   55  C   UNL     1     -10.939  -0.781  -0.362  1.00  0.00           C  
HETATM   56  O   UNL     1     -10.854  -0.021  -1.303  1.00  0.00           O  
HETATM   57  N   UNL     1     -12.151  -1.146   0.101  1.00  0.00           N  
HETATM   58  C   UNL     1     -13.365  -0.625  -0.532  1.00  0.00           C  
HETATM   59  C   UNL     1     -14.499  -0.647   0.461  1.00  0.00           C  
HETATM   60  O   UNL     1     -14.347  -1.173   1.543  1.00  0.00           O  
HETATM   61  C   UNL     1     -13.726  -1.497  -1.737  1.00  0.00           C  
HETATM   62  C   UNL     1     -12.649  -1.349  -2.813  1.00  0.00           C  
HETATM   63  C   UNL     1     -13.813  -2.960  -1.300  1.00  0.00           C  
HETATM   64  N   UNL     1     -15.681  -0.082   0.146  1.00  0.00           N  
HETATM   65  C   UNL     1     -16.745  -0.002   1.149  1.00  0.00           C  
HETATM   66  C   UNL     1     -17.628  -1.248   1.058  1.00  0.00           C  
HETATM   67  O   UNL     1     -18.742  -1.109   1.942  1.00  0.00           O  
HETATM   68  C   UNL     1     -17.595   1.245   0.894  1.00  0.00           C  
HETATM   69  C   UNL     1     -16.741   2.497   1.108  1.00  0.00           C  
HETATM   70  C   UNL     1     -17.591   3.743   0.852  1.00  0.00           C  
HETATM   71  N   UNL     1     -16.774   4.942   1.057  1.00  0.00           N  
HETATM   72  C   UNL     1     -17.323   6.182   0.884  1.00  0.00           C  
HETATM   73  N   UNL     1     -18.602   6.300   0.529  1.00  0.00           N1+
HETATM   74  N   UNL     1     -16.580   7.272   1.071  1.00  0.00           N  
HETATM   75  C   UNL     1     -16.813  -2.481   1.454  1.00  0.00           C  
HETATM   76 CL   UNL     1     -17.795  -3.966   1.174  1.00  0.00          Cl  
HETATM   77  H   UNL     1      19.333  -1.102   1.380  1.00  0.00           H  
HETATM   78  H   UNL     1      18.618  -1.179  -0.249  1.00  0.00           H  
HETATM   79  H   UNL     1      19.525   0.266   0.258  1.00  0.00           H  
HETATM   80  H   UNL     1      17.106   1.048  -0.589  1.00  0.00           H  
HETATM   81  H   UNL     1      15.568   1.469   1.883  1.00  0.00           H  
HETATM   82  H   UNL     1      15.317   2.646  -0.920  1.00  0.00           H  
HETATM   83  H   UNL     1      14.266   3.075   0.451  1.00  0.00           H  
HETATM   84  H   UNL     1      17.003   5.558   0.470  1.00  0.00           H  
HETATM   85  H   UNL     1      12.946   1.495   1.258  1.00  0.00           H  
HETATM   86  H   UNL     1      12.300  -0.692  -0.567  1.00  0.00           H  
HETATM   87  H   UNL     1      11.843  -0.893   2.443  1.00  0.00           H  
HETATM   88  H   UNL     1      11.121  -1.985   1.236  1.00  0.00           H  
HETATM   89  H   UNL     1      14.228  -0.946   2.897  1.00  0.00           H  
HETATM   90  H   UNL     1      12.494  -3.566   0.013  1.00  0.00           H  
HETATM   91  H   UNL     1      16.288  -2.294   2.883  1.00  0.00           H  
HETATM   92  H   UNL     1      14.554  -4.915  -0.001  1.00  0.00           H  
HETATM   93  H   UNL     1      16.453  -4.276   1.431  1.00  0.00           H  
HETATM   94  H   UNL     1       9.665  -1.104  -0.179  1.00  0.00           H  
HETATM   95  H   UNL     1       8.354   1.357   0.687  1.00  0.00           H  
HETATM   96  H   UNL     1       8.331   0.436  -2.221  1.00  0.00           H  
HETATM   97  H   UNL     1       7.244   1.672  -1.544  1.00  0.00           H  
HETATM   98  H   UNL     1      10.290   1.821  -1.477  1.00  0.00           H  
HETATM   99  H   UNL     1       8.266   3.257  -3.254  1.00  0.00           H  
HETATM  100  H   UNL     1      10.018   3.567  -3.217  1.00  0.00           H  
HETATM  101  H   UNL     1       9.404   1.996  -3.786  1.00  0.00           H  
HETATM  102  H   UNL     1       9.135   3.024   0.358  1.00  0.00           H  
HETATM  103  H   UNL     1       9.862   4.167  -0.797  1.00  0.00           H  
HETATM  104  H   UNL     1       8.109   3.858  -0.833  1.00  0.00           H  
HETATM  105  H   UNL     1       5.779   1.006  -0.025  1.00  0.00           H  
HETATM  106  H   UNL     1       5.095  -1.833  -0.053  1.00  0.00           H  
HETATM  107  H   UNL     1       4.371  -0.039   2.308  1.00  0.00           H  
HETATM  108  H   UNL     1       3.791  -1.702   2.052  1.00  0.00           H  
HETATM  109  H   UNL     1       5.519  -1.398   2.351  1.00  0.00           H  
HETATM  110  H   UNL     1       2.422  -1.860   0.285  1.00  0.00           H  
HETATM  111  H   UNL     1       1.226   0.591  -0.757  1.00  0.00           H  
HETATM  112  H   UNL     1       1.306  -1.996  -2.372  1.00  0.00           H  
HETATM  113  H   UNL     1       0.265  -0.603  -2.748  1.00  0.00           H  
HETATM  114  H   UNL     1       2.271   0.837  -2.966  1.00  0.00           H  
HETATM  115  H   UNL     1       3.312  -0.556  -2.590  1.00  0.00           H  
HETATM  116  H   UNL     1       3.217  -0.480  -6.255  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.323  -0.104  -1.289  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.383  -2.340   0.072  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.373  -0.956   1.191  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.920  -1.689   0.707  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.074   0.527  -0.610  1.00  0.00           H  
HETATM  122  H   UNL     1      -6.084  -0.858  -1.728  1.00  0.00           H  
HETATM  123  H   UNL     1      -8.623  -0.169  -1.141  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.683  -2.405   0.220  1.00  0.00           H  
HETATM  125  H   UNL     1      -9.672  -1.020   1.339  1.00  0.00           H  
HETATM  126  H   UNL     1     -12.220  -1.754   0.854  1.00  0.00           H  
HETATM  127  H   UNL     1     -13.192   0.398  -0.863  1.00  0.00           H  
HETATM  128  H   UNL     1     -14.688  -1.180  -2.140  1.00  0.00           H  
HETATM  129  H   UNL     1     -11.712  -1.774  -2.451  1.00  0.00           H  
HETATM  130  H   UNL     1     -12.962  -1.876  -3.715  1.00  0.00           H  
HETATM  131  H   UNL     1     -12.504  -0.293  -3.041  1.00  0.00           H  
HETATM  132  H   UNL     1     -14.651  -3.085  -0.614  1.00  0.00           H  
HETATM  133  H   UNL     1     -13.963  -3.593  -2.175  1.00  0.00           H  
HETATM  134  H   UNL     1     -12.888  -3.246  -0.799  1.00  0.00           H  
HETATM  135  H   UNL     1     -15.828   0.272  -0.746  1.00  0.00           H  
HETATM  136  H   UNL     1     -16.303   0.058   2.144  1.00  0.00           H  
HETATM  137  H   UNL     1     -17.988  -1.364   0.035  1.00  0.00           H  
HETATM  138  H   UNL     1     -19.304  -0.346   1.750  1.00  0.00           H  
HETATM  139  H   UNL     1     -17.965   1.228  -0.132  1.00  0.00           H  
HETATM  140  H   UNL     1     -18.438   1.258   1.584  1.00  0.00           H  
HETATM  141  H   UNL     1     -16.371   2.513   2.133  1.00  0.00           H  
HETATM  142  H   UNL     1     -15.898   2.484   0.417  1.00  0.00           H  
HETATM  143  H   UNL     1     -17.961   3.727  -0.173  1.00  0.00           H  
HETATM  144  H   UNL     1     -18.434   3.756   1.543  1.00  0.00           H  
HETATM  145  H   UNL     1     -15.843   4.855   1.315  1.00  0.00           H  
HETATM  146  H   UNL     1     -19.143   5.507   0.394  1.00  0.00           H  
HETATM  147  H   UNL     1     -15.649   7.185   1.329  1.00  0.00           H  
HETATM  148  H   UNL     1     -16.970   8.151   0.948  1.00  0.00           H  
HETATM  149  H   UNL     1     -18.992   7.180   0.407  1.00  0.00           H  
HETATM  150  H   UNL     1     -15.906  -2.526   0.850  1.00  0.00           H  
HETATM  151  H   UNL     1     -16.545  -2.415   2.508  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   77   78   79                                       
CONECT    4    5   80    1                                            
CONECT    5    4    6    8   81                                       
CONECT    6    5    7    7   12                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   82   83                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   84                                                 
CONECT   12   13   85    6                                            
CONECT   13   12   14   16   86                                       
CONECT   14   13   15   15   23                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   87   88                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   20   89                                       
CONECT   19   17   21   21   90                                       
CONECT   20   18   22   22   91                                       
CONECT   21   19   19   22   92                                       
CONECT   22   20   20   21   93                                       
CONECT   23   24   94   14                                            
CONECT   24   23   25   27   95                                       
CONECT   25   24   26   26   31                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   96   97                                       
CONECT   28   27   29   30   98                                       
CONECT   29   28   99  100  101                                       
CONECT   30   28  102  103  104                                       
CONECT   31   32  105   25                                            
CONECT   32   31   33   35  106                                       
CONECT   33   32   34   34   36                                       
CONECT   34   33   33                                                 
CONECT   35   32  107  108  109                                       
CONECT   36   37  110   33                                            
CONECT   37   36   38   40  111                                       
CONECT   38   37   39   39   45                                       
CONECT   39   38   38                                                 
CONECT   40   37   41  112  113                                       
CONECT   41   40   42  114  115                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42  116                                                 
CONECT   45   46  117   38                                            
CONECT   46   45   47  118  119                                       
CONECT   47   46   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   50  120   47                                            
CONECT   50   49   51  121  122                                       
CONECT   51   50   52   52   53                                       
CONECT   52   51   51                                                 
CONECT   53   54  123   51                                            
CONECT   54   53   55  124  125                                       
CONECT   55   54   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57   58  126   55                                            
CONECT   58   57   59   61  127                                       
CONECT   59   58   60   60   64                                       
CONECT   60   59   59                                                 
CONECT   61   58   62   63  128                                       
CONECT   62   61  129  130  131                                       
CONECT   63   61  132  133  134                                       
CONECT   64   65  135   59                                            
CONECT   65   64   66   68  136                                       
CONECT   66   65   67  137   75                                       
CONECT   67   66  138                                                 
CONECT   68   65   69  139  140                                       
CONECT   69   68   70  141  142                                       
CONECT   70   69   71  143  144                                       
CONECT   71   70   72  145                                            
CONECT   72   71   73   73   74                                       
CONECT   73   72   72  146  149                                       
CONECT   74   72  147  148                                            
CONECT   75   76  150  151   66                                       
CONECT   76   75                                                      
CONECT   77    3                                                      
CONECT   78    3                                                      
CONECT   79    3                                                      
CONECT   80    4                                                      
CONECT   81    5                                                      
CONECT   82    8                                                      
CONECT   83    8                                                      
CONECT   84   11                                                      
CONECT   85   12                                                      
CONECT   86   13                                                      
CONECT   87   16                                                      
CONECT   88   16                                                      
CONECT   89   18                                                      
CONECT   90   19                                                      
CONECT   91   20                                                      
CONECT   92   21                                                      
CONECT   93   22                                                      
CONECT   94   23                                                      
CONECT   95   24                                                      
CONECT   96   27                                                      
CONECT   97   27                                                      
CONECT   98   28                                                      
CONECT   99   29                                                      
CONECT  100   29                                                      
CONECT  101   29                                                      
CONECT  102   30                                                      
CONECT  103   30                                                      
CONECT  104   30                                                      
CONECT  105   31                                                      
CONECT  106   32                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   35                                                      
CONECT  110   36                                                      
CONECT  111   37                                                      
CONECT  112   40                                                      
CONECT  113   40                                                      
CONECT  114   41                                                      
CONECT  115   41                                                      
CONECT  116   44                                                      
CONECT  117   45                                                      
CONECT  118   46                                                      
CONECT  119   46                                                      
CONECT  120   49                                                      
CONECT  121   50                                                      
CONECT  122   50                                                      
CONECT  123   53                                                      
CONECT  124   54                                                      
CONECT  125   54                                                      
CONECT  126   57                                                      
CONECT  127   58                                                      
CONECT  128   61                                                      
CONECT  129   62                                                      
CONECT  130   62                                                      
CONECT  131   62                                                      
CONECT  132   63                                                      
CONECT  133   63                                                      
CONECT  134   63                                                      
CONECT  135   64                                                      
CONECT  136   65                                                      
CONECT  137   66                                                      
CONECT  138   67                                                      
CONECT  139   68                                                      
CONECT  140   68                                                      
CONECT  141   69                                                      
CONECT  142   69                                                      
CONECT  143   70                                                      
CONECT  144   70                                                      
CONECT  145   71                                                      
CONECT  146   73                                                      
CONECT  147   74                                                      
CONECT  148   74                                                      
CONECT  149   73                                                      
CONECT  150   75                                                      
CONECT  151   75                                                      
MASTER        0    0    0    0    0    0    0    0  151    0  151    0
END
