COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.142  -2.143  -2.308  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.807  -2.484  -2.355  1.00  0.00           C  
HETATM    3  C   UNL     1       0.027   5.212   0.188  1.00  0.00           C  
HETATM    4  C   UNL     1       0.989   4.839  -0.734  1.00  0.00           C  
HETATM    5  C   UNL     1       0.733   3.808  -1.621  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.483   3.152  -1.586  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.687  -0.806  -0.063  1.00  0.00           C  
HETATM    8  C   UNL     1       1.670  -1.419  -0.155  1.00  0.00           C  
HETATM    9  C   UNL     1       2.556  -2.429  -0.887  1.00  0.00           C  
HETATM   10  C   UNL     1       4.793  -3.353  -0.956  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.698  -0.429  -0.700  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.582  -1.116  -1.482  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.125   0.855   0.951  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.990   2.844   1.877  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.265   0.744   2.326  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.476  -0.508   3.089  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.910  -0.661   4.355  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.111  -1.829   5.060  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.871  -2.849   4.515  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.433  -2.704   3.259  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.245  -1.537   2.546  1.00  0.00           C  
HETATM   22 CL   UNL     1      -7.283  -3.002  -3.295  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -3.888  -1.796  -1.565  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.527  -1.910  -1.404  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.076  -0.980  -0.487  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.158  -0.237  -0.032  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.342  -0.761  -0.728  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.956   2.198   0.691  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.173   1.984   2.840  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.769   2.810  -0.626  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.896   3.811  -0.887  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.443   3.526  -0.664  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.188   4.555   0.222  1.00  0.00           C  
HETATM   34 CL   UNL     1       2.516   5.663  -0.779  1.00  0.00          Cl  
HETATM   35  O   UNL     1      -0.402   0.049   0.756  1.00  0.00           O  
HETATM   36  N   UNL     1       0.278  -1.593  -0.579  1.00  0.00           N  
HETATM   37  N   UNL     1       3.951  -2.255  -0.461  1.00  0.00           N  
HETATM   38  C   UNL     1       6.219  -3.177  -0.427  1.00  0.00           C  
HETATM   39  N   UNL     1       6.744  -1.876  -0.863  1.00  0.00           N  
HETATM   40  C   UNL     1       5.901  -0.778  -0.368  1.00  0.00           C  
HETATM   41  C   UNL     1       4.476  -0.954  -0.898  1.00  0.00           C  
HETATM   42  C   UNL     1       8.139  -1.702  -0.438  1.00  0.00           C  
HETATM   43  C   UNL     1       8.689  -0.396  -1.015  1.00  0.00           C  
HETATM   44  C   UNL     1      10.142  -0.214  -0.572  1.00  0.00           C  
HETATM   45  C   UNL     1      10.207  -0.164   0.956  1.00  0.00           C  
HETATM   46  C   UNL     1       9.657  -1.470   1.533  1.00  0.00           C  
HETATM   47  C   UNL     1       8.204  -1.652   1.090  1.00  0.00           C  
HETATM   48  H   UNL     1      -4.474  -3.281  -3.003  1.00  0.00           H  
HETATM   49  H   UNL     1       0.228   6.014   0.883  1.00  0.00           H  
HETATM   50  H   UNL     1       1.484   3.516  -2.341  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.683   2.347  -2.278  1.00  0.00           H  
HETATM   52  H   UNL     1       1.745  -1.581   0.920  1.00  0.00           H  
HETATM   53  H   UNL     1       1.999  -0.408  -0.394  1.00  0.00           H  
HETATM   54  H   UNL     1       2.227  -3.441  -0.648  1.00  0.00           H  
HETATM   55  H   UNL     1       2.481  -2.267  -1.962  1.00  0.00           H  
HETATM   56  H   UNL     1       4.391  -4.305  -0.609  1.00  0.00           H  
HETATM   57  H   UNL     1       4.806  -3.339  -2.046  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.047   0.368  -0.060  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.631  -0.858  -1.460  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.886   3.911   2.007  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.317   0.134   4.782  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.674  -1.949   6.041  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.025  -3.761   5.071  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.029  -3.501   2.840  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.685  -1.425   1.566  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.964  -2.550  -1.867  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.786   2.036  -1.393  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.757   4.267  -1.868  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.855   3.294  -0.860  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.879   4.586  -0.121  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.939   4.847   0.942  1.00  0.00           H  
HETATM   72  H   UNL     1       0.052  -2.274  -1.232  1.00  0.00           H  
HETATM   73  H   UNL     1       6.210  -3.219   0.663  1.00  0.00           H  
HETATM   74  H   UNL     1       6.852  -3.974  -0.816  1.00  0.00           H  
HETATM   75  H   UNL     1       5.889  -0.793   0.721  1.00  0.00           H  
HETATM   76  H   UNL     1       6.304   0.174  -0.715  1.00  0.00           H  
HETATM   77  H   UNL     1       4.485  -0.913  -1.987  1.00  0.00           H  
HETATM   78  H   UNL     1       3.843  -0.157  -0.508  1.00  0.00           H  
HETATM   79  H   UNL     1       8.736  -2.539  -0.800  1.00  0.00           H  
HETATM   80  H   UNL     1       8.643  -0.432  -2.104  1.00  0.00           H  
HETATM   81  H   UNL     1       8.092   0.441  -0.653  1.00  0.00           H  
HETATM   82  H   UNL     1      10.739  -1.051  -0.934  1.00  0.00           H  
HETATM   83  H   UNL     1      10.534   0.716  -0.983  1.00  0.00           H  
HETATM   84  H   UNL     1      11.242  -0.035   1.271  1.00  0.00           H  
HETATM   85  H   UNL     1       9.610   0.673   1.317  1.00  0.00           H  
HETATM   86  H   UNL     1      10.255  -2.307   1.171  1.00  0.00           H  
HETATM   87  H   UNL     1       9.703  -1.434   2.621  1.00  0.00           H  
HETATM   88  H   UNL     1       7.607  -0.815   1.452  1.00  0.00           H  
HETATM   89  H   UNL     1       7.812  -2.582   1.501  1.00  0.00           H  
CONECT    1   12   22    2    2                                       
CONECT    2    1    1   23   48                                       
CONECT    3   33   33    4   49                                       
CONECT    4    3   34    5    5                                       
CONECT    5    4    4    6   50                                       
CONECT    6   32   32    5   51                                       
CONECT    7   25   36   35   35                                       
CONECT    8    9   36   52   53                                       
CONECT    9   37    8   54   55                                       
CONECT   10   38   37   56   57                                       
CONECT   11   12   12   27   58                                       
CONECT   12   11   11    1   59                                       
CONECT   13   15   15   28   26                                       
CONECT   14   29   29   28   60                                       
CONECT   15   29   16   13   13                                       
CONECT   16   21   15   17   17                                       
CONECT   17   16   16   18   61                                       
CONECT   18   19   19   17   62                                       
CONECT   19   20   18   18   63                                       
CONECT   20   21   21   19   64                                       
CONECT   21   20   20   16   65                                       
CONECT   22    1                                                      
CONECT   23   27   27    2   24                                       
CONECT   24   23   25   66                                            
CONECT   25   26   26   24    7                                       
CONECT   26   13   27   25   25                                       
CONECT   27   11   26   23   23                                       
CONECT   28   14   13   30                                            
CONECT   29   14   14   15                                            
CONECT   30   28   32   31   67                                       
CONECT   31   30   68   69   70                                       
CONECT   32   33   30    6    6                                       
CONECT   33    3    3   32   71                                       
CONECT   34    4                                                      
CONECT   35    7    7                                                 
CONECT   36    7    8   72                                            
CONECT   37   10   41    9                                            
CONECT   38   39   10   73   74                                       
CONECT   39   38   42   40                                            
CONECT   40   39   41   75   76                                       
CONECT   41   40   37   77   78                                       
CONECT   42   43   47   39   79                                       
CONECT   43   44   42   80   81                                       
CONECT   44   45   43   82   83                                       
CONECT   45   44   46   84   85                                       
CONECT   46   45   47   86   87                                       
CONECT   47   46   42   88   89                                       
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   24                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
