COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.011  -1.453  -0.771  1.00  0.00           C  
HETATM    2  C   UNL     1       8.787  -0.500  -0.125  1.00  0.00           C  
HETATM    3  C   UNL     1      13.589  -0.831   2.696  1.00  0.00           C  
HETATM    4  C   UNL     1      14.353  -0.528   1.406  1.00  0.00           C  
HETATM    5  C   UNL     1      13.551   0.463   0.559  1.00  0.00           C  
HETATM    6  C   UNL     1      14.370   0.862  -0.670  1.00  0.00           C  
HETATM    7  N   UNL     1      12.299  -0.163   0.130  1.00  0.00           N  
HETATM    8  C   UNL     1      11.051   0.270   0.409  1.00  0.00           C  
HETATM    9  O   UNL     1      10.760   1.253   1.066  1.00  0.00           O  
HETATM   10  N   UNL     1      10.188  -0.587  -0.172  1.00  0.00           N  
HETATM   11  C   UNL     1      10.913  -1.560  -0.819  1.00  0.00           C  
HETATM   12  N   UNL     1      12.174  -1.319  -0.653  1.00  0.00           N  
HETATM   13  C   UNL     1       6.634  -1.368  -0.725  1.00  0.00           C  
HETATM   14  C   UNL     1       6.025  -0.329  -0.032  1.00  0.00           C  
HETATM   15  C   UNL     1       6.802   0.624   0.614  1.00  0.00           C  
HETATM   16  C   UNL     1       8.179   0.539   0.567  1.00  0.00           C  
HETATM   17  N   UNL     1       4.630  -0.243   0.014  1.00  0.00           N  
HETATM   18  C   UNL     1       4.201   0.926   0.795  1.00  0.00           C  
HETATM   19  C   UNL     1       2.673   0.940   0.889  1.00  0.00           C  
HETATM   20  N   UNL     1       2.102   0.976  -0.465  1.00  0.00           N  
HETATM   21  C   UNL     1       2.532  -0.192  -1.246  1.00  0.00           C  
HETATM   22  C   UNL     1       4.059  -0.206  -1.339  1.00  0.00           C  
HETATM   23  C   UNL     1       0.706   1.063  -0.418  1.00  0.00           C  
HETATM   24  C   UNL     1       0.053   1.109   0.807  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.324   1.200   0.852  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.055   1.246  -0.326  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.404   1.200  -1.550  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.027   1.109  -1.597  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.411   1.336  -0.281  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.101   1.379  -1.532  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.607   1.479  -1.281  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.383   1.531  -2.621  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.671   0.993  -2.236  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.369  -0.024  -1.265  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.102   0.274  -0.663  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.304  -1.389  -1.952  1.00  0.00           C  
HETATM   37  N   UNL     1      -6.929  -2.412  -0.973  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.592  -3.549  -0.702  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.936  -4.190   0.231  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.853  -3.496   0.579  1.00  0.00           C  
HETATM   41  N   UNL     1      -5.803  -2.402  -0.134  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.440  -0.045  -0.205  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.605   1.043   0.633  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.588   1.024   1.607  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.406  -0.084   1.741  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.240  -1.172   0.902  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.261  -1.149  -0.074  1.00  0.00           C  
HETATM   48 CL   UNL     1     -11.639  -0.109   2.962  1.00  0.00          Cl  
HETATM   49 CL   UNL     1      -7.578   2.433   0.465  1.00  0.00          Cl  
HETATM   50  H   UNL     1       8.484  -2.258  -1.313  1.00  0.00           H  
HETATM   51  H   UNL     1      13.443   0.091   3.257  1.00  0.00           H  
HETATM   52  H   UNL     1      12.619  -1.264   2.451  1.00  0.00           H  
HETATM   53  H   UNL     1      14.160  -1.537   3.299  1.00  0.00           H  
HETATM   54  H   UNL     1      15.323  -0.095   1.651  1.00  0.00           H  
HETATM   55  H   UNL     1      14.498  -1.451   0.844  1.00  0.00           H  
HETATM   56  H   UNL     1      13.329   1.351   1.152  1.00  0.00           H  
HETATM   57  H   UNL     1      13.799   1.568  -1.273  1.00  0.00           H  
HETATM   58  H   UNL     1      15.302   1.328  -0.351  1.00  0.00           H  
HETATM   59  H   UNL     1      14.592  -0.025  -1.263  1.00  0.00           H  
HETATM   60  H   UNL     1      10.498  -2.386  -1.376  1.00  0.00           H  
HETATM   61  H   UNL     1       6.030  -2.109  -1.227  1.00  0.00           H  
HETATM   62  H   UNL     1       6.329   1.432   1.152  1.00  0.00           H  
HETATM   63  H   UNL     1       8.783   1.280   1.069  1.00  0.00           H  
HETATM   64  H   UNL     1       4.626   0.870   1.797  1.00  0.00           H  
HETATM   65  H   UNL     1       4.543   1.837   0.305  1.00  0.00           H  
HETATM   66  H   UNL     1       2.332   0.042   1.404  1.00  0.00           H  
HETATM   67  H   UNL     1       2.351   1.822   1.444  1.00  0.00           H  
HETATM   68  H   UNL     1       2.189  -1.103  -0.755  1.00  0.00           H  
HETATM   69  H   UNL     1       2.106  -0.136  -2.248  1.00  0.00           H  
HETATM   70  H   UNL     1       4.400   0.692  -1.854  1.00  0.00           H  
HETATM   71  H   UNL     1       4.381  -1.088  -1.893  1.00  0.00           H  
HETATM   72  H   UNL     1       0.623   1.072   1.724  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.832   1.235   1.804  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.974   1.235  -2.466  1.00  0.00           H  
HETATM   75  H   UNL     1       0.480   1.078  -2.550  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.769   2.248  -2.100  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.886   0.472  -2.096  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.837   2.349  -0.666  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.479   2.556  -2.977  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.905   0.902  -3.373  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.279  -1.630  -2.374  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.561  -1.359  -2.749  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.508  -3.877  -1.172  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.131  -3.792   1.326  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.717   1.873   2.261  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.877  -2.037   1.007  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.132  -1.998  -0.728  1.00  0.00           H  
CONECT    1   13   13    2   50                                       
CONECT    2    1   10   16   16                                       
CONECT    3    4   51   52   53                                       
CONECT    4    3    5   54   55                                       
CONECT    5    4    7    6   56                                       
CONECT    6    5   57   58   59                                       
CONECT    7   12    5    8                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10   11    2    8                                            
CONECT   11   12   12   10   60                                       
CONECT   12   11   11    7                                            
CONECT   13    1    1   14   61                                       
CONECT   14   13   17   15   15                                       
CONECT   15   14   14   16   62                                       
CONECT   16    2    2   15   63                                       
CONECT   17   18   22   14                                            
CONECT   18   19   17   64   65                                       
CONECT   19   20   18   66   67                                       
CONECT   20   23   19   21                                            
CONECT   21   20   22   68   69                                       
CONECT   22   21   17   70   71                                       
CONECT   23   24   24   28   20                                       
CONECT   24   25   23   23   72                                       
CONECT   25   26   26   24   73                                       
CONECT   26   29   25   25   27                                       
CONECT   27   26   28   28   74                                       
CONECT   28   27   27   23   75                                       
CONECT   29   30   26                                                 
CONECT   30   31   29   76   77                                       
CONECT   31   32   35   30   78                                       
CONECT   32   33   31   79   80                                       
CONECT   33   32   34                                                 
CONECT   34   42   33   35   36                                       
CONECT   35   34   31                                                 
CONECT   36   34   37   81   82                                       
CONECT   37   36   41   38                                            
CONECT   38   37   39   39   83                                       
CONECT   39   40   38   38                                            
CONECT   40   41   41   39   84                                       
CONECT   41   37   40   40                                            
CONECT   42   43   43   47   34                                       
CONECT   43   44   49   42   42                                       
CONECT   44   45   45   43   85                                       
CONECT   45   48   44   44   46                                       
CONECT   46   45   47   47   86                                       
CONECT   47   46   46   42   87                                       
CONECT   48   45                                                      
CONECT   49   43                                                      
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   38                                                      
CONECT   84   40                                                      
CONECT   85   44                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
