COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.918  -0.136   0.503  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.692  -0.126  -0.077  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.238   1.213  -0.095  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.055   4.267  -0.483  1.00  0.00           C  
HETATM    5  C   UNL     1       0.837   3.288  -0.931  1.00  0.00           C  
HETATM    6  C   UNL     1       2.094   3.742  -0.719  1.00  0.00           C  
HETATM    7  C   UNL     1       3.124   5.828   0.219  1.00  0.00           C  
HETATM    8  C   UNL     1       3.369   3.000  -1.033  1.00  0.00           C  
HETATM    9  C   UNL     1       4.792   0.886   0.094  1.00  0.00           C  
HETATM   10  C   UNL     1       6.147   0.758  -0.125  1.00  0.00           C  
HETATM   11  C   UNL     1       6.698  -0.512  -0.354  1.00  0.00           C  
HETATM   12  C   UNL     1       8.076  -0.680  -0.573  1.00  0.00           C  
HETATM   13  C   UNL     1       8.582  -1.934  -0.729  1.00  0.00           C  
HETATM   14  C   UNL     1       5.849  -1.645  -0.359  1.00  0.00           C  
HETATM   15  C   UNL     1       4.456  -1.476  -0.197  1.00  0.00           C  
HETATM   16  C   UNL     1       3.950  -0.230   0.032  1.00  0.00           C  
HETATM   17  C   UNL     1       2.231  -2.341  -0.321  1.00  0.00           C  
HETATM   18  C   UNL     1       0.279  -3.888  -0.049  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.449  -3.332  -1.796  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.917  -1.259  -0.631  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.807  -1.783   0.038  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.068  -2.251   1.378  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.153  -2.217   2.526  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.779  -0.617   2.277  1.00  0.00           C  
HETATM   25 CL   UNL     1      -5.706  -1.208  -2.674  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -4.303  -1.815  -1.852  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.568  -2.851  -2.411  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.029  -2.786  -0.574  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.236  -1.522   1.261  1.00  0.00           N  
HETATM   30  O   UNL     1      -0.151  -3.129   3.329  1.00  0.00           O  
HETATM   31  O   UNL     1       0.686  -1.173   2.689  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.902  -3.004   0.256  1.00  0.00           C  
HETATM   33  C   UNL     1       1.527  -3.316   0.625  1.00  0.00           C  
HETATM   34  O   UNL     1       3.640  -2.555  -0.262  1.00  0.00           O  
HETATM   35  C   UNL     1       6.411  -2.922  -0.511  1.00  0.00           C  
HETATM   36  C   UNL     1       7.754  -3.053  -0.690  1.00  0.00           C  
HETATM   37  S   UNL     1       4.131   2.450   0.518  1.00  0.00           S  
HETATM   38  N   UNL     1       2.002   4.969  -0.165  1.00  0.00           N  
HETATM   39  N   UNL     1       0.641   5.274  -0.021  1.00  0.00           N  
HETATM   40  C   UNL     1      -1.559   4.169  -0.517  1.00  0.00           C  
HETATM   41  S   UNL     1      -2.099   2.778   0.514  1.00  0.00           S  
HETATM   42  C   UNL     1      -2.931   1.688  -0.674  1.00  0.00           C  
HETATM   43  N   UNL     1      -5.154   1.954   0.468  1.00  0.00           N  
HETATM   44  N   UNL     1      -6.224   1.133   0.846  1.00  0.00           N  
HETATM   45  C   UNL     1      -7.455   1.573   1.506  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.787  -1.348   0.720  1.00  0.00           C  
HETATM   47  H   UNL     1       0.571   2.338  -1.369  1.00  0.00           H  
HETATM   48  H   UNL     1       3.398   6.464  -0.623  1.00  0.00           H  
HETATM   49  H   UNL     1       2.832   6.451   1.064  1.00  0.00           H  
HETATM   50  H   UNL     1       3.976   5.210   0.500  1.00  0.00           H  
HETATM   51  H   UNL     1       3.143   2.134  -1.655  1.00  0.00           H  
HETATM   52  H   UNL     1       4.055   3.661  -1.563  1.00  0.00           H  
HETATM   53  H   UNL     1       6.782   1.632  -0.120  1.00  0.00           H  
HETATM   54  H   UNL     1       8.729   0.179  -0.616  1.00  0.00           H  
HETATM   55  H   UNL     1       9.643  -2.062  -0.887  1.00  0.00           H  
HETATM   56  H   UNL     1       2.888  -0.106   0.183  1.00  0.00           H  
HETATM   57  H   UNL     1       1.881  -2.507  -1.340  1.00  0.00           H  
HETATM   58  H   UNL     1       2.006  -1.318  -0.022  1.00  0.00           H  
HETATM   59  H   UNL     1       0.089  -4.892   0.330  1.00  0.00           H  
HETATM   60  H   UNL     1       0.433  -3.929  -1.127  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.886  -4.135  -2.250  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.440  -1.172   2.942  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.960  -0.187   2.855  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.339   0.182   1.791  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.887  -3.283  -3.348  1.00  0.00           H  
HETATM   66  H   UNL     1       1.270  -1.196   3.459  1.00  0.00           H  
HETATM   67  H   UNL     1       2.207  -4.129   0.878  1.00  0.00           H  
HETATM   68  H   UNL     1       1.239  -2.791   1.536  1.00  0.00           H  
HETATM   69  H   UNL     1       5.780  -3.798  -0.486  1.00  0.00           H  
HETATM   70  H   UNL     1       8.183  -4.037  -0.803  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.992   5.094  -0.135  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.889   4.011  -1.544  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.295   0.829  -0.886  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.121   2.236  -1.597  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.199   1.832   0.752  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.838   0.769   2.134  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.244   2.447   2.123  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.560  -1.789   1.691  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.836  -1.053   0.690  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.593  -2.080  -0.065  1.00  0.00           H  
CONECT    1    2    2   44   46                                       
CONECT    2    3   20    1    1                                       
CONECT    3   42   43   43    2                                       
CONECT    4   39   39    5   40                                       
CONECT    5    6    6    4   47                                       
CONECT    6    8   38    5    5                                       
CONECT    7   38   48   49   50                                       
CONECT    8   37    6   51   52                                       
CONECT    9   37   10   10   16                                       
CONECT   10    9    9   11   53                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   54                                       
CONECT   13   12   36   36   55                                       
CONECT   14   11   15   35   35                                       
CONECT   15   16   16   14   34                                       
CONECT   16    9   15   15   56                                       
CONECT   17   34   33   57   58                                       
CONECT   18   33   32   59   60                                       
CONECT   19   27   28   28   61                                       
CONECT   20   26    2   21   21                                       
CONECT   21   20   20   28   29                                       
CONECT   22   32   32   29   23                                       
CONECT   23   22   30   30   31                                       
CONECT   24   29   62   63   64                                       
CONECT   25   26                                                      
CONECT   26   25   27   27   20                                       
CONECT   27   26   26   19   65                                       
CONECT   28   19   19   21   32                                       
CONECT   29   21   22   24                                            
CONECT   30   23   23                                                 
CONECT   31   23   66                                                 
CONECT   32   28   18   22   22                                       
CONECT   33   17   18   67   68                                       
CONECT   34   15   17                                                 
CONECT   35   14   14   36   69                                       
CONECT   36   13   13   35   70                                       
CONECT   37    8    9                                                 
CONECT   38    7    6   39                                            
CONECT   39   38    4    4                                            
CONECT   40    4   41   71   72                                       
CONECT   41   42   40                                                 
CONECT   42   41    3   73   74                                       
CONECT   43    3    3   44                                            
CONECT   44   43    1   45                                            
CONECT   45   44   75   76   77                                       
CONECT   46    1   78   79   80                                       
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   42                                                      
CONECT   74   42                                                      
CONECT   75   45                                                      
CONECT   76   45                                                      
CONECT   77   45                                                      
CONECT   78   46                                                      
CONECT   79   46                                                      
CONECT   80   46                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
