COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.592  -0.355  -2.043  1.00  0.00           C  
HETATM    2  C   UNL     1       4.007  -1.748  -1.557  1.00  0.00           C  
HETATM    3  C   UNL     1       5.449  -1.701  -1.070  1.00  0.00           C  
HETATM    4  C   UNL     1       5.747  -0.460  -0.275  1.00  0.00           C  
HETATM    5  C   UNL     1       6.992  -0.378   0.340  1.00  0.00           C  
HETATM    6  C   UNL     1       7.339   0.745   1.063  1.00  0.00           C  
HETATM    7 CL   UNL     1       8.904   0.850   1.806  1.00  0.00          Cl  
HETATM    8  C   UNL     1       6.440   1.788   1.195  1.00  0.00           C  
HETATM    9  C   UNL     1       5.196   1.699   0.604  1.00  0.00           C  
HETATM   10  C   UNL     1       4.854   0.582  -0.145  1.00  0.00           C  
HETATM   11  C   UNL     1       3.504   0.562  -0.816  1.00  0.00           C  
HETATM   12  C   UNL     1       2.459  -0.025   0.144  1.00  0.00           C  
HETATM   13  C   UNL     1       3.101   1.970  -1.234  1.00  0.00           C  
HETATM   14  O   UNL     1       1.904   1.984  -2.010  1.00  0.00           O  
HETATM   15  C   UNL     1       0.722   1.976  -1.338  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.144   3.053  -1.384  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.365   3.012  -0.743  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.744   1.868  -0.040  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.840   0.795   0.065  1.00  0.00           C  
HETATM   20  C   UNL     1       0.378   0.834  -0.595  1.00  0.00           C  
HETATM   21  N   UNL     1       1.235  -0.239  -0.580  1.00  0.00           N  
HETATM   22  C   UNL     1       0.857  -1.529  -1.057  1.00  0.00           C  
HETATM   23  C   UNL     1       0.350  -2.471   0.028  1.00  0.00           C  
HETATM   24  C   UNL     1       1.331  -3.596   0.360  1.00  0.00           C  
HETATM   25  C   UNL     1       0.397  -4.597  -0.315  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.653  -3.502  -0.506  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.884  -3.670   0.379  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.695  -2.954   1.601  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.093  -3.126  -0.342  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.085  -2.625   0.345  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.298  -2.071  -0.364  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.841  -0.883   0.436  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.241  -1.217   0.955  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.913   0.352  -0.462  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.289   0.420  -1.126  1.00  0.00           C  
HETATM   36  S   UNL     1      -5.648   1.847   0.537  1.00  0.00           S  
HETATM   37  O   UNL     1      -6.559   2.870   0.159  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.448   1.508   1.902  1.00  0.00           O  
HETATM   39  N   UNL     1      -4.157   2.403   0.019  1.00  0.00           N  
HETATM   40  C   UNL     1      -3.091   1.693   0.512  1.00  0.00           C  
HETATM   41  O   UNL     1      -3.267   0.905   1.421  1.00  0.00           O  
HETATM   42  H   UNL     1       4.338   0.030  -2.738  1.00  0.00           H  
HETATM   43  H   UNL     1       2.622  -0.411  -2.536  1.00  0.00           H  
HETATM   44  H   UNL     1       3.356  -2.058  -0.739  1.00  0.00           H  
HETATM   45  H   UNL     1       3.924  -2.460  -2.378  1.00  0.00           H  
HETATM   46  H   UNL     1       5.639  -2.574  -0.446  1.00  0.00           H  
HETATM   47  H   UNL     1       6.114  -1.734  -1.934  1.00  0.00           H  
HETATM   48  H   UNL     1       7.691  -1.197   0.251  1.00  0.00           H  
HETATM   49  H   UNL     1       6.710   2.668   1.760  1.00  0.00           H  
HETATM   50  H   UNL     1       4.485   2.503   0.724  1.00  0.00           H  
HETATM   51  H   UNL     1       2.819  -0.974   0.541  1.00  0.00           H  
HETATM   52  H   UNL     1       2.282   0.673   0.963  1.00  0.00           H  
HETATM   53  H   UNL     1       2.949   2.575  -0.340  1.00  0.00           H  
HETATM   54  H   UNL     1       3.908   2.409  -1.821  1.00  0.00           H  
HETATM   55  H   UNL     1       0.140   3.941  -1.930  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.027   3.864  -0.786  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.098  -0.065   0.664  1.00  0.00           H  
HETATM   58  H   UNL     1       0.073  -1.406  -1.804  1.00  0.00           H  
HETATM   59  H   UNL     1       1.721  -1.987  -1.539  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.008  -1.929   0.899  1.00  0.00           H  
HETATM   61  H   UNL     1       2.290  -3.493  -0.148  1.00  0.00           H  
HETATM   62  H   UNL     1       1.441  -3.766   1.431  1.00  0.00           H  
HETATM   63  H   UNL     1       0.790  -4.981  -1.256  1.00  0.00           H  
HETATM   64  H   UNL     1       0.067  -5.392   0.354  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.902  -3.341  -1.555  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.035  -4.728   0.596  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.441  -3.017   2.214  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.145  -3.162  -1.422  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.046  -2.620   1.421  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.017  -1.740  -1.363  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.062  -2.844  -0.437  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.181  -0.681   1.279  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.903  -1.418   0.113  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.191  -2.097   1.596  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.627  -0.373   1.528  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.142   0.288  -1.230  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.060   0.484  -0.359  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.341   1.301  -1.767  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.448  -0.475  -1.727  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.056   3.161  -0.578  1.00  0.00           H  
CONECT    1   11    2   42   43                                       
CONECT    2    3    1   44   45                                       
CONECT    3    4    2   46   47                                       
CONECT    4    5    5   10    3                                       
CONECT    5    6    4    4   48                                       
CONECT    6    7    8    8    5                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   49                                       
CONECT    9    8   10   10   50                                       
CONECT   10    9    9    4   11                                       
CONECT   11   13   10    1   12                                       
CONECT   12   11   21   51   52                                       
CONECT   13   14   11   53   54                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   55                                       
CONECT   17   16   18   18   56                                       
CONECT   18   17   17   19   40                                       
CONECT   19   20   20   18   57                                       
CONECT   20   15   21   19   19                                       
CONECT   21   12   20   22                                            
CONECT   22   21   23   58   59                                       
CONECT   23   22   24   26   60                                       
CONECT   24   23   25   61   62                                       
CONECT   25   24   26   63   64                                       
CONECT   26   23   25   27   65                                       
CONECT   27   26   29   28   66                                       
CONECT   28   27   67                                                 
CONECT   29   27   30   30   68                                       
CONECT   30   29   29   31   69                                       
CONECT   31   32   30   70   71                                       
CONECT   32   34   33   31   72                                       
CONECT   33   32   73   74   75                                       
CONECT   34   36   32   35   76                                       
CONECT   35   34   77   78   79                                       
CONECT   36   39   38   38   37                                       
CONECT   36   37   34                                                 
CONECT   37   36   36                                                 
CONECT   38   36   36                                                 
CONECT   39   40   36   80                                            
CONECT   40   18   41   41   39                                       
CONECT   41   40   40                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
