COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.820  -2.792   1.889  1.00  0.00           C  
HETATM    2  N   UNL     1       4.733  -3.541   1.254  1.00  0.00           N  
HETATM    3  C   UNL     1       4.031  -2.982   0.195  1.00  0.00           C  
HETATM    4  C   UNL     1       4.261  -1.664  -0.178  1.00  0.00           C  
HETATM    5  C   UNL     1       3.087  -3.748  -0.509  1.00  0.00           C  
HETATM    6  C   UNL     1       2.836  -5.149  -0.128  1.00  0.00           C  
HETATM    7  O   UNL     1       3.358  -5.610   0.868  1.00  0.00           O  
HETATM    8  O   UNL     1       2.028  -5.918  -0.883  1.00  0.00           O  
HETATM    9  C   UNL     1       2.387  -3.173  -1.573  1.00  0.00           C  
HETATM   10  C   UNL     1       2.627  -1.862  -1.924  1.00  0.00           C  
HETATM   11  C   UNL     1       3.562  -1.111  -1.231  1.00  0.00           C  
HETATM   12  C   UNL     1       3.813   0.321  -1.626  1.00  0.00           C  
HETATM   13  N   UNL     1       3.029   1.210  -0.765  1.00  0.00           N  
HETATM   14  C   UNL     1       3.551   1.609   0.545  1.00  0.00           C  
HETATM   15  C   UNL     1       4.450   2.836   0.384  1.00  0.00           C  
HETATM   16  C   UNL     1       5.701   2.454  -0.411  1.00  0.00           C  
HETATM   17  C   UNL     1       6.625   3.669  -0.516  1.00  0.00           C  
HETATM   18  N   UNL     1       6.997   4.121   0.830  1.00  0.00           N  
HETATM   19  C   UNL     1       5.816   4.539   1.596  1.00  0.00           C  
HETATM   20  C   UNL     1       4.868   3.349   1.764  1.00  0.00           C  
HETATM   21  S   UNL     1       1.554   1.764  -1.272  1.00  0.00           S  
HETATM   22  O   UNL     1       1.387   3.051  -0.692  1.00  0.00           O  
HETATM   23  O   UNL     1       1.497   1.531  -2.673  1.00  0.00           O  
HETATM   24  C   UNL     1       0.329   0.727  -0.545  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.188   1.037   0.699  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.149   0.223   1.270  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.119  -0.393  -1.220  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.079  -1.206  -0.650  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.593  -0.900   0.597  1.00  0.00           C  
HETATM   30  S   UNL     1      -2.817  -1.937   1.324  1.00  0.00           S  
HETATM   31  O   UNL     1      -2.558  -3.253   0.856  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.862  -1.598   2.704  1.00  0.00           O  
HETATM   33  N   UNL     1      -4.279  -1.492   0.686  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.689  -1.998  -0.627  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.784  -0.837  -1.632  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.247  -0.793  -2.119  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.046  -1.477  -0.982  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.098  -2.620  -0.537  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.162  -0.594   1.433  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.895   0.831   1.022  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.853   1.533   1.599  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.608   2.840   1.222  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.404   3.445   0.266  1.00  0.00           C  
HETATM   44 CL   UNL     1      -4.096   5.086  -0.209  1.00  0.00          Cl  
HETATM   45  C   UNL     1      -5.446   2.742  -0.311  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.688   1.433   0.063  1.00  0.00           C  
HETATM   47  H   UNL     1       6.250  -3.387   2.695  1.00  0.00           H  
HETATM   48  H   UNL     1       6.590  -2.571   1.150  1.00  0.00           H  
HETATM   49  H   UNL     1       5.429  -1.859   2.296  1.00  0.00           H  
HETATM   50  H   UNL     1       4.505  -4.428   1.573  1.00  0.00           H  
HETATM   51  H   UNL     1       4.989  -1.072   0.357  1.00  0.00           H  
HETATM   52  H   UNL     1       1.894  -6.831  -0.593  1.00  0.00           H  
HETATM   53  H   UNL     1       1.660  -3.755  -2.120  1.00  0.00           H  
HETATM   54  H   UNL     1       2.085  -1.419  -2.747  1.00  0.00           H  
HETATM   55  H   UNL     1       4.873   0.549  -1.514  1.00  0.00           H  
HETATM   56  H   UNL     1       3.519   0.469  -2.665  1.00  0.00           H  
HETATM   57  H   UNL     1       2.721   1.851   1.208  1.00  0.00           H  
HETATM   58  H   UNL     1       4.129   0.789   0.970  1.00  0.00           H  
HETATM   59  H   UNL     1       3.906   3.619  -0.146  1.00  0.00           H  
HETATM   60  H   UNL     1       6.223   1.644   0.100  1.00  0.00           H  
HETATM   61  H   UNL     1       5.413   2.128  -1.410  1.00  0.00           H  
HETATM   62  H   UNL     1       7.523   3.396  -1.069  1.00  0.00           H  
HETATM   63  H   UNL     1       6.108   4.474  -1.039  1.00  0.00           H  
HETATM   64  H   UNL     1       7.512   3.406   1.322  1.00  0.00           H  
HETATM   65  H   UNL     1       6.127   4.898   2.577  1.00  0.00           H  
HETATM   66  H   UNL     1       5.302   5.339   1.063  1.00  0.00           H  
HETATM   67  H   UNL     1       3.984   3.664   2.319  1.00  0.00           H  
HETATM   68  H   UNL     1       5.377   2.554   2.309  1.00  0.00           H  
HETATM   69  H   UNL     1       0.158   1.914   1.225  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.553   0.465   2.242  1.00  0.00           H  
HETATM   71  H   UNL     1       0.282  -0.632  -2.194  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.429  -2.081  -1.178  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.974  -2.741  -0.980  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.525   0.102  -1.144  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.115  -1.016  -2.474  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.575   0.238  -2.249  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.356  -1.348  -3.051  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.223  -0.782  -0.162  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.986  -1.880  -1.358  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.183  -3.471  -1.213  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.317  -2.921   0.487  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.201  -0.845   1.220  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.974  -0.705   2.501  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.232   1.060   2.345  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.794   3.388   1.673  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.069   3.214  -1.057  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.498   0.883  -0.391  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    3    1   50                                            
CONECT    3    5    2    4    4                                       
CONECT    4    3    3   11   51                                       
CONECT    5    6    9    9    3                                       
CONECT    6    7    7    8    5                                       
CONECT    7    6    6                                                 
CONECT    8    6   52                                                 
CONECT    9    5    5   10   53                                       
CONECT   10    9   11   11   54                                       
CONECT   11   10   10    4   12                                       
CONECT   12   11   13   55   56                                       
CONECT   13   21   12   14                                            
CONECT   14   13   15   57   58                                       
CONECT   15   16   14   20   59                                       
CONECT   16   17   15   60   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   19   64                                            
CONECT   19   18   20   65   66                                       
CONECT   20   15   19   67   68                                       
CONECT   21   22   22   23   23                                       
CONECT   21   13   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   25   27                                       
CONECT   25   24   24   26   69                                       
CONECT   26   25   29   29   70                                       
CONECT   27   24   28   28   71                                       
CONECT   28   27   27   29   72                                       
CONECT   29   26   26   28   30                                       
CONECT   30   29   33   32   32                                       
CONECT   30   31   31                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   34   39   30                                            
CONECT   34   38   35   33   73                                       
CONECT   35   36   34   74   75                                       
CONECT   36   37   35   76   77                                       
CONECT   37   36   38   78   79                                       
CONECT   38   37   34   80   81                                       
CONECT   39   33   40   82   83                                       
CONECT   40   39   41   41   46                                       
CONECT   41   40   40   42   84                                       
CONECT   42   41   43   43   85                                       
CONECT   43   42   42   45   44                                       
CONECT   44   43                                                      
CONECT   45   46   46   43   86                                       
CONECT   46   40   45   45   87                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    4                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
