COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -12.406   0.291   1.354  1.00  0.00           N  
HETATM    2  C   UNL     1     -13.251  -0.706   2.015  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.387  -1.658   2.799  1.00  0.00           C  
HETATM    4  O   UNL     1     -12.110  -1.399   3.951  1.00  0.00           O  
HETATM    5  C   UNL     1     -14.037  -1.492   0.961  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.044  -2.275   0.095  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.191  -3.142   0.984  1.00  0.00           C  
HETATM    8  O   UNL     1     -11.743  -4.181   0.548  1.00  0.00           O  
HETATM    9  N   UNL     1     -11.917  -2.787   2.248  1.00  0.00           N  
HETATM   10  C   UNL     1       2.550  -1.737  -2.736  1.00  0.00           C  
HETATM   11  C   UNL     1       1.407  -0.840  -2.259  1.00  0.00           C  
HETATM   12  C   UNL     1       0.071  -1.428  -2.718  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.072  -0.531  -2.240  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.408  -1.119  -2.700  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.552  -0.222  -2.222  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.887  -0.810  -2.682  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.258  -0.345  -2.840  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.347   0.659  -2.455  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.486   0.695  -0.931  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.135   1.063  -0.312  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.081   0.047  -0.758  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.596   2.294   0.521  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.638   1.345   0.158  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.130   0.019   0.682  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.674   1.605   1.256  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.279   4.000  -0.539  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.335   3.052  -0.893  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.517   1.724  -0.544  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.406   3.631   0.165  1.00  0.00           C  
HETATM   30  C   UNL     1      10.775  -2.985   2.416  1.00  0.00           C  
HETATM   31  C   UNL     1      11.862  -1.748   1.003  1.00  0.00           C  
HETATM   32  C   UNL     1       9.422  -1.772   0.732  1.00  0.00           C  
HETATM   33  C   UNL     1       8.029  -0.250  -0.514  1.00  0.00           C  
HETATM   34  C   UNL     1       9.221  -0.504   0.183  1.00  0.00           C  
HETATM   35  C   UNL     1      10.177   0.605   0.296  1.00  0.00           C  
HETATM   36  C   UNL     1      12.136  -0.724  -0.068  1.00  0.00           C  
HETATM   37  C   UNL     1      12.287  -1.199  -1.508  1.00  0.00           C  
HETATM   38  C   UNL     1      13.509  -0.708  -0.729  1.00  0.00           C  
HETATM   39  C   UNL     1       9.598   1.938   0.580  1.00  0.00           C  
HETATM   40  C   UNL     1       8.354   2.043   1.202  1.00  0.00           C  
HETATM   41  C   UNL     1       7.819   3.288   1.464  1.00  0.00           C  
HETATM   42  C   UNL     1       8.516   4.432   1.109  1.00  0.00           C  
HETATM   43  C   UNL     1       5.802  -0.947  -1.375  1.00  0.00           C  
HETATM   44  C   UNL     1       5.464   0.266  -2.005  1.00  0.00           C  
HETATM   45  C   UNL     1       4.770  -1.816  -1.574  1.00  0.00           C  
HETATM   46  C   UNL     1       9.751   4.333   0.491  1.00  0.00           C  
HETATM   47  C   UNL     1      10.297   3.093   0.230  1.00  0.00           C  
HETATM   48  C   UNL     1       9.683  -3.652   3.211  1.00  0.00           C  
HETATM   49  C   UNL     1       7.057  -1.231  -0.633  1.00  0.00           C  
HETATM   50  C   UNL     1       7.260  -2.485  -0.057  1.00  0.00           C  
HETATM   51  C   UNL     1       8.431  -2.746   0.616  1.00  0.00           C  
HETATM   52  N   UNL     1      -5.985   0.052  -2.224  1.00  0.00           N  
HETATM   53  N   UNL     1      11.462   0.555   0.178  1.00  0.00           N  
HETATM   54  N   UNL     1      12.706  -2.389   1.752  1.00  0.00           N  
HETATM   55  N   UNL     1      12.064  -3.115   2.601  1.00  0.00           N  
HETATM   56  N   UNL     1      10.609  -2.139   1.367  1.00  0.00           N  
HETATM   57  N   UNL     1       3.829  -1.174  -2.296  1.00  0.00           N  
HETATM   58  N   UNL     1       4.286   0.125  -2.553  1.00  0.00           N  
HETATM   59  O   UNL     1     -13.662   2.148   1.711  1.00  0.00           O  
HETATM   60 CL   UNL     1       7.837   5.995   1.441  1.00  0.00          Cl  
HETATM   61  H   UNL     1     -13.946  -0.204   2.689  1.00  0.00           H  
HETATM   62  H   UNL     1     -14.719  -2.185   1.454  1.00  0.00           H  
HETATM   63  H   UNL     1     -14.602  -0.801   0.335  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.591  -2.902  -0.609  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.409  -1.578  -0.452  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.357  -3.369   2.784  1.00  0.00           H  
HETATM   67  H   UNL     1       2.429  -2.735  -2.315  1.00  0.00           H  
HETATM   68  H   UNL     1       2.535  -1.797  -3.824  1.00  0.00           H  
HETATM   69  H   UNL     1       1.422  -0.779  -1.170  1.00  0.00           H  
HETATM   70  H   UNL     1       1.528   0.158  -2.679  1.00  0.00           H  
HETATM   71  H   UNL     1       0.056  -1.488  -3.806  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.050  -2.426  -2.297  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.057  -0.470  -1.152  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.951   0.467  -2.661  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.423  -1.179  -3.788  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.529  -2.117  -2.279  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.536  -0.161  -1.134  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.430   0.776  -2.643  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.903  -0.870  -3.770  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.009  -1.808  -2.261  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.538  -1.338  -2.488  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.146  -0.363  -3.924  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.074   1.649  -2.819  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.295   0.356  -2.901  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.797  -0.286  -0.571  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.843   2.060  -0.642  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.217   1.049   0.775  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.115   0.315  -0.330  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.367  -0.947  -0.416  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.413  -0.392   1.393  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.281  -0.676  -0.143  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.132   5.034  -0.814  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.455   3.348  -1.444  1.00  0.00           H  
HETATM   94  H   UNL     1     -12.140   4.374   0.440  1.00  0.00           H  
HETATM   95  H   UNL     1       7.867   0.720  -0.960  1.00  0.00           H  
HETATM   96  H   UNL     1      12.207  -2.270  -1.697  1.00  0.00           H  
HETATM   97  H   UNL     1      11.898  -0.553  -2.295  1.00  0.00           H  
HETATM   98  H   UNL     1      13.925   0.262  -1.003  1.00  0.00           H  
HETATM   99  H   UNL     1      14.233  -1.455  -0.404  1.00  0.00           H  
HETATM  100  H   UNL     1       7.810   1.152   1.479  1.00  0.00           H  
HETATM  101  H   UNL     1       6.856   3.371   1.945  1.00  0.00           H  
HETATM  102  H   UNL     1       6.072   1.158  -2.030  1.00  0.00           H  
HETATM  103  H   UNL     1       4.715  -2.834  -1.217  1.00  0.00           H  
HETATM  104  H   UNL     1      10.289   5.228   0.216  1.00  0.00           H  
HETATM  105  H   UNL     1      11.263   3.017  -0.248  1.00  0.00           H  
HETATM  106  H   UNL     1       9.436  -4.612   2.756  1.00  0.00           H  
HETATM  107  H   UNL     1      10.024  -3.812   4.234  1.00  0.00           H  
HETATM  108  H   UNL     1       8.798  -3.016   3.218  1.00  0.00           H  
HETATM  109  H   UNL     1       6.501  -3.248  -0.139  1.00  0.00           H  
HETATM  110  H   UNL     1       8.585  -3.718   1.061  1.00  0.00           H  
CONECT    1   25   24    2                                            
CONECT    2    1    5    3   61                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   62   63                                       
CONECT    6    5    7   64   65                                       
CONECT    7    9    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    3    7   66                                            
CONECT   10   57   11   67   68                                       
CONECT   11   10   12   69   70                                       
CONECT   12   11   13   71   72                                       
CONECT   13   12   14   73   74                                       
CONECT   14   13   15   75   76                                       
CONECT   15   14   16   77   78                                       
CONECT   16   15   52   79   80                                       
CONECT   17   52   18   81   82                                       
CONECT   18   17   19   83   84                                       
CONECT   19   18   28   20   85                                       
CONECT   20   21   19   86   87                                       
CONECT   21   52   20   88   89                                       
CONECT   22   29   23   23   25                                       
CONECT   23   28   22   22   24                                       
CONECT   24   23    1   90   91                                       
CONECT   25   22   59   59    1                                       
CONECT   26   27   29   29   92                                       
CONECT   27   26   28   28   93                                       
CONECT   28   27   27   19   23                                       
CONECT   29   26   26   22   94                                       
CONECT   30   55   55   48   56                                       
CONECT   31   54   54   56   36                                       
CONECT   32   56   51   34   34                                       
CONECT   33   34   49   49   95                                       
CONECT   34   32   32   35   33                                       
CONECT   35   53   53   34   39                                       
CONECT   36   31   38   37   53                                       
CONECT   37   38   36   96   97                                       
CONECT   38   37   36   98   99                                       
CONECT   39   35   47   47   40                                       
CONECT   40   39   41   41  100                                       
CONECT   41   40   40   42  101                                       
CONECT   42   46   46   41   60                                       
CONECT   43   49   45   45   44                                       
CONECT   44   43   58   58  102                                       
CONECT   45   43   43   57  103                                       
CONECT   46   47   42   42  104                                       
CONECT   47   39   39   46  105                                       
CONECT   48   30  106  107  108                                       
CONECT   49   50   33   33   43                                       
CONECT   50   51   51   49  109                                       
CONECT   51   32   50   50  110                                       
CONECT   52   17   16   21                                            
CONECT   53   36   35   35                                            
CONECT   54   55   31   31                                            
CONECT   55   54   30   30                                            
CONECT   56   30   31   32                                            
CONECT   57   45   10   58                                            
CONECT   58   44   44   57                                            
CONECT   59   25   25                                                 
CONECT   60   42                                                      
CONECT   61    2                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   17                                                      
CONECT   83   18                                                      
CONECT   84   18                                                      
CONECT   85   19                                                      
CONECT   86   20                                                      
CONECT   87   20                                                      
CONECT   88   21                                                      
CONECT   89   21                                                      
CONECT   90   24                                                      
CONECT   91   24                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   29                                                      
CONECT   95   33                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   48                                                      
CONECT  107   48                                                      
CONECT  108   48                                                      
CONECT  109   50                                                      
CONECT  110   51                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
