COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.067   2.577  -9.649  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.762   1.245  -9.861  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.372   0.448  -8.801  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.285   0.983  -7.529  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.595   2.313  -7.316  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.981   3.111  -8.377  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.860   0.114  -6.374  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.416   0.170  -6.233  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.807  -0.532  -5.259  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.466  -1.213  -4.499  1.00  0.00           O  
HETATM   11  C   UNL     1       1.200  -1.284  -4.101  1.00  0.00           C  
HETATM   12  C   UNL     1       1.946  -2.442  -4.766  1.00  0.00           C  
HETATM   13  C   UNL     1       0.947  -3.339  -5.500  1.00  0.00           C  
HETATM   14  C   UNL     1       1.704  -4.414  -6.282  1.00  0.00           C  
HETATM   15  C   UNL     1       0.019  -4.007  -4.483  1.00  0.00           C  
HETATM   16  C   UNL     1       2.179  -0.423  -3.346  1.00  0.00           C  
HETATM   17  S   UNL     1       3.551   0.444  -3.956  1.00  0.00           S  
HETATM   18  N   UNL     1       2.208  -0.148  -2.068  1.00  0.00           N  
HETATM   19  C   UNL     1       3.161   0.646  -1.579  1.00  0.00           C  
HETATM   20  N   UNL     1       0.533  -0.480  -5.128  1.00  0.00           N  
HETATM   21  C   UNL     1       4.090   1.138  -2.460  1.00  0.00           C  
HETATM   22  C   UNL     1       3.217   0.978  -0.145  1.00  0.00           C  
HETATM   23  O   UNL     1       4.099   1.702   0.276  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.057  -1.792   9.354  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.822  -1.598   9.945  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.900  -0.753   9.357  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.212  -0.103   8.178  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.449  -0.292   7.590  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.369  -1.140   8.176  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.206   0.818   7.536  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.376   0.062   6.616  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.401   0.682   5.924  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.216   1.874   6.070  1.00  0.00           O  
HETATM   34  C   UNL     1       1.476   0.639   4.372  1.00  0.00           C  
HETATM   35  C   UNL     1       2.805   0.156   4.956  1.00  0.00           C  
HETATM   36  C   UNL     1       2.912   0.601   6.416  1.00  0.00           C  
HETATM   37  C   UNL     1       4.167  -0.008   7.044  1.00  0.00           C  
HETATM   38  C   UNL     1       3.000   2.127   6.479  1.00  0.00           C  
HETATM   39  C   UNL     1       1.419   0.299   2.905  1.00  0.00           C  
HETATM   40  O   UNL     1       0.540  -0.422   2.483  1.00  0.00           O  
HETATM   41  N   UNL     1       2.344   0.797   2.061  1.00  0.00           N  
HETATM   42  N   UNL     1       2.291   0.481   0.697  1.00  0.00           N  
HETATM   43  N   UNL     1       0.369  -0.019   5.069  1.00  0.00           N  
HETATM   44  H   UNL     1      -4.371   3.200 -10.477  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.829   0.828 -10.855  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.134  -0.591  -8.967  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.528   2.731  -6.323  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.219   4.152  -8.211  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.167  -0.914  -6.561  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.329   0.472  -5.458  1.00  0.00           H  
HETATM   51  H   UNL     1       0.456  -1.680  -3.410  1.00  0.00           H  
HETATM   52  H   UNL     1       2.670  -2.047  -5.478  1.00  0.00           H  
HETATM   53  H   UNL     1       2.466  -3.025  -4.005  1.00  0.00           H  
HETATM   54  H   UNL     1       0.356  -2.736  -6.189  1.00  0.00           H  
HETATM   55  H   UNL     1       2.365  -3.938  -7.006  1.00  0.00           H  
HETATM   56  H   UNL     1       2.295  -5.017  -5.592  1.00  0.00           H  
HETATM   57  H   UNL     1       0.992  -5.053  -6.805  1.00  0.00           H  
HETATM   58  H   UNL     1       0.615  -4.538  -3.741  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.584  -3.247  -3.988  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.634  -4.712  -4.996  1.00  0.00           H  
HETATM   61  H   UNL     1       1.055   0.089  -5.713  1.00  0.00           H  
HETATM   62  H   UNL     1       4.934   1.786  -2.272  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.778  -2.453   9.814  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.578  -2.107  10.866  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.935  -0.602   9.818  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.693   0.216   6.669  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.334  -1.292   7.714  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.579   1.265   8.308  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.729   1.604   6.992  1.00  0.00           H  
HETATM   70  H   UNL     1       1.394   1.718   4.498  1.00  0.00           H  
HETATM   71  H   UNL     1       3.629   0.584   4.385  1.00  0.00           H  
HETATM   72  H   UNL     1       2.852  -0.930   4.902  1.00  0.00           H  
HETATM   73  H   UNL     1       2.032   0.264   6.963  1.00  0.00           H  
HETATM   74  H   UNL     1       4.243   0.307   8.084  1.00  0.00           H  
HETATM   75  H   UNL     1       4.104  -1.096   6.999  1.00  0.00           H  
HETATM   76  H   UNL     1       5.048   0.327   6.496  1.00  0.00           H  
HETATM   77  H   UNL     1       3.822   2.470   5.850  1.00  0.00           H  
HETATM   78  H   UNL     1       2.065   2.560   6.125  1.00  0.00           H  
HETATM   79  H   UNL     1       3.177   2.438   7.509  1.00  0.00           H  
HETATM   80  H   UNL     1       3.048   1.374   2.398  1.00  0.00           H  
HETATM   81  H   UNL     1       1.588  -0.095   0.360  1.00  0.00           H  
HETATM   82  H   UNL     1       0.190  -0.960   4.916  1.00  0.00           H  
CONECT    1    2    2    6   44                                       
CONECT    2    1    1    3   45                                       
CONECT    3    2    4    4   46                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   47                                       
CONECT    6    1    5    5   48                                       
CONECT    7    4    8   49   50                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   10   20                                       
CONECT   10    9    9                                                 
CONECT   11   12   16   20   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   15   54                                       
CONECT   14   13   55   56   57                                       
CONECT   15   13   58   59   60                                       
CONECT   16   11   17   18   18                                       
CONECT   17   16   21                                                 
CONECT   18   16   16   19                                            
CONECT   19   18   21   21   22                                       
CONECT   20    9   11   61                                            
CONECT   21   17   19   19   62                                       
CONECT   22   19   23   23   42                                       
CONECT   23   22   22                                                 
CONECT   24   25   25   29   63                                       
CONECT   25   24   24   26   64                                       
CONECT   26   25   27   27   65                                       
CONECT   27   26   26   28   30                                       
CONECT   28   27   29   29   66                                       
CONECT   29   24   28   28   67                                       
CONECT   30   27   31   68   69                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   33   43                                       
CONECT   33   32   32                                                 
CONECT   34   35   39   43   70                                       
CONECT   35   34   36   71   72                                       
CONECT   36   35   37   38   73                                       
CONECT   37   36   74   75   76                                       
CONECT   38   36   77   78   79                                       
CONECT   39   34   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   80                                            
CONECT   42   22   41   81                                            
CONECT   43   32   34   82                                            
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
