COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.307  -1.159   2.301  1.00  0.00           C  
HETATM    2  C   UNL     1       9.366   0.473  -2.312  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.443   3.953  -2.359  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.119   2.541   2.256  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.519   2.741   0.307  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.155  -3.538  -1.864  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.762   4.519   1.653  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.873  -3.163  -2.227  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.388  -4.098  -0.625  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.057   4.471   1.159  1.00  0.00           C  
HETATM   11  C   UNL     1       0.042   3.416   1.610  1.00  0.00           C  
HETATM   12  C   UNL     1       6.528  -0.227   0.809  1.00  0.00           C  
HETATM   13  C   UNL     1       7.036   0.551  -1.406  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.037  -3.906  -0.109  1.00  0.00           C  
HETATM   15  C   UNL     1       2.495   0.801   0.108  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.904   0.134  -2.046  1.00  0.00           C  
HETATM   17  C   UNL     1       3.912   0.382   0.502  1.00  0.00           C  
HETATM   18  C   UNL     1       1.538   0.522   1.269  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.513  -0.457  -2.271  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.148   0.333  -0.545  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.426  -2.935  -1.755  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.570  -4.885   1.592  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.677  -1.257  -0.139  1.00  0.00           C  
HETATM   24  C   UNL     1       7.857  -0.555   0.996  1.00  0.00           C  
HETATM   25  C   UNL     1       8.364   0.227  -1.213  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.350   3.543  -1.228  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.818  -3.346  -1.351  1.00  0.00           C  
HETATM   28  C   UNL     1       6.114   0.324  -0.394  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.068   2.927   0.800  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.328  -4.286   0.263  1.00  0.00           C  
HETATM   31  C   UNL     1       8.775  -0.328  -0.014  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.561   3.298   0.615  1.00  0.00           C  
HETATM   33  C   UNL     1       0.142   0.936   0.880  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.949   3.254   0.091  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.783   0.159   0.282  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.436   2.219   1.062  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.752   2.154   0.563  1.00  0.00           C  
HETATM   38  N   UNL     1      -5.647   3.399  -1.298  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.193  -1.544  -1.359  1.00  0.00           N  
HETATM   40  N   UNL     1      -6.121   3.010  -0.039  1.00  0.00           N  
HETATM   41  N   UNL     1      -1.947   0.884   0.086  1.00  0.00           N  
HETATM   42  O   UNL     1      -5.817  -5.251   1.949  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.161  -2.106   0.563  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.645  -5.048   2.363  1.00  0.00           O  
HETATM   45  O   UNL     1       4.805   0.642  -0.582  1.00  0.00           O  
HETATM   46 CL   UNL     1      10.446  -0.734   0.226  1.00  0.00          Cl  
HETATM   47  H   UNL     1       8.236  -2.245   2.242  1.00  0.00           H  
HETATM   48  H   UNL     1       9.340  -0.873   2.497  1.00  0.00           H  
HETATM   49  H   UNL     1       7.670  -0.797   3.108  1.00  0.00           H  
HETATM   50  H   UNL     1       9.784   1.474  -2.205  1.00  0.00           H  
HETATM   51  H   UNL     1      10.167  -0.264  -2.244  1.00  0.00           H  
HETATM   52  H   UNL     1       8.873   0.386  -3.280  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.348   5.038  -2.374  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.460   3.504  -2.217  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.864   3.612  -3.305  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.005   1.461   2.350  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.311   3.039   2.792  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.077   2.844   2.679  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.992   3.662   0.650  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.045   2.368  -0.571  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.560   1.995   1.100  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.975  -3.387  -2.550  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.384   5.440   2.072  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.696  -2.725  -3.198  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.389  -4.390  -0.343  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.679   5.353   1.199  1.00  0.00           H  
HETATM   67  H   UNL     1       1.048   3.467   2.000  1.00  0.00           H  
HETATM   68  H   UNL     1       5.812  -0.405   1.597  1.00  0.00           H  
HETATM   69  H   UNL     1       6.715   0.981  -2.343  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.212  -4.049   0.573  1.00  0.00           H  
HETATM   71  H   UNL     1       2.483   1.866  -0.125  1.00  0.00           H  
HETATM   72  H   UNL     1       2.178   0.234  -0.768  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.976   1.095  -2.556  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.655  -0.546  -2.448  1.00  0.00           H  
HETATM   75  H   UNL     1       4.228   0.949   1.378  1.00  0.00           H  
HETATM   76  H   UNL     1       3.924  -0.683   0.735  1.00  0.00           H  
HETATM   77  H   UNL     1       1.550  -0.543   1.501  1.00  0.00           H  
HETATM   78  H   UNL     1       1.855   1.089   2.144  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.453  -0.830  -3.293  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.773   0.333  -2.144  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.981   1.021  -0.401  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.389  -0.626  -0.087  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.698  -3.580  -1.262  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.318  -3.027  -2.836  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.926  -5.638   2.828  1.00  0.00           H  
CONECT    1   24   47   48   49                                       
CONECT    2   25   50   51   52                                       
CONECT    3   26   53   54   55                                       
CONECT    4   29   56   57   58                                       
CONECT    5   40   59   60   61                                       
CONECT    6    9    9    8   62                                       
CONECT    7   11   10   10   63                                       
CONECT    8    6   27   27   64                                       
CONECT    9    6    6   30   65                                       
CONECT   10    7    7   32   66                                       
CONECT   11   36   36    7   67                                       
CONECT   12   28   28   24   68                                       
CONECT   13   25   25   28   69                                       
CONECT   14   30   30   27   70                                       
CONECT   15   17   18   71   72                                       
CONECT   16   19   20   73   74                                       
CONECT   17   15   45   75   76                                       
CONECT   18   15   33   77   78                                       
CONECT   19   39   16   79   80                                       
CONECT   20   41   16   81   82                                       
CONECT   21   27   39   83   84                                       
CONECT   22   44   44   30   42                                       
CONECT   23   43   43   39   35                                       
CONECT   24   31   31   12    1                                       
CONECT   25    2   13   13   31                                       
CONECT   26    3   34   38   38                                       
CONECT   27    8    8   14   21                                       
CONECT   28   13   45   12   12                                       
CONECT   29   34   34    4   40                                       
CONECT   30    9   22   14   14                                       
CONECT   31   25   46   24   24                                       
CONECT   32   37   37   10   34                                       
CONECT   33   18   35   35   36                                       
CONECT   34   32   26   29   29                                       
CONECT   35   33   33   23   41                                       
CONECT   36   33   11   11   37                                       
CONECT   37   36   41   32   32                                       
CONECT   38   26   26   40                                            
CONECT   39   23   21   19                                            
CONECT   40   29   38    5                                            
CONECT   41   35   37   20                                            
CONECT   42   22   85                                                 
CONECT   43   23   23                                                 
CONECT   44   22   22                                                 
CONECT   45   17   28                                                 
CONECT   46   31                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   42                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
