COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.020   0.900  -0.766  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.278   0.524  -0.189  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.369   1.437  -0.751  1.00  0.00           C  
HETATM    4  C   UNL     1       3.773  -1.684  -0.985  1.00  0.00           C  
HETATM    5  C   UNL     1       1.682  -3.057  -1.051  1.00  0.00           C  
HETATM    6  C   UNL     1       2.358  -4.326   1.310  1.00  0.00           C  
HETATM    7  C   UNL     1       5.452   2.480   0.108  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.669   4.282   0.530  1.00  0.00           C  
HETATM    9  C   UNL     1       1.094   0.043  -0.248  1.00  0.00           C  
HETATM   10  C   UNL     1       2.427   0.464  -0.870  1.00  0.00           C  
HETATM   11  N   UNL     1       3.499  -0.391  -0.354  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.079   3.045   0.712  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.942   4.098   0.947  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.532   5.335   0.763  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.895   5.427   0.554  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.073   1.605   1.122  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.664   1.062  -0.176  1.00  0.00           N  
HETATM   18  C   UNL     1       6.458   3.290  -0.380  1.00  0.00           C  
HETATM   19  C   UNL     1       5.688   1.134   0.323  1.00  0.00           C  
HETATM   20  C   UNL     1       3.197  -3.366   0.777  1.00  0.00           C  
HETATM   21  C   UNL     1       2.859  -2.731  -0.404  1.00  0.00           C  
HETATM   22  C   UNL     1       0.843  -4.018  -0.518  1.00  0.00           C  
HETATM   23  S   UNL     1       4.400   0.104   0.944  1.00  0.00           S  
HETATM   24  O   UNL     1       3.557   0.942   1.723  1.00  0.00           O  
HETATM   25  O   UNL     1       5.032  -1.059   1.462  1.00  0.00           O  
HETATM   26  C   UNL     1       6.932   0.595   0.051  1.00  0.00           C  
HETATM   27  C   UNL     1       7.943   1.400  -0.437  1.00  0.00           C  
HETATM   28  C   UNL     1       7.709   2.752  -0.655  1.00  0.00           C  
HETATM   29  N   UNL     1       8.730   3.568  -1.147  1.00  0.00           N  
HETATM   30  C   UNL     1       1.181  -4.652   0.663  1.00  0.00           C  
HETATM   31  S   UNL     1      -4.663   0.024  -0.992  1.00  0.00           S  
HETATM   32  O   UNL     1      -5.978   0.278  -0.519  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.300   0.112  -2.363  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.254  -1.610  -0.474  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.899  -2.170   0.614  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.581  -3.450   1.023  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.612  -4.175   0.341  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.288  -5.470   0.752  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.967  -3.609  -0.752  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.293  -2.331  -1.159  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.716   2.953   0.921  1.00  0.00           C  
HETATM   42  H   UNL     1      -0.011   0.872  -1.774  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.503  -0.511  -0.445  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.238   0.630   0.895  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.145   2.472  -0.495  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.409   1.331  -1.835  1.00  0.00           H  
HETATM   47  H   UNL     1       3.602  -1.608  -2.059  1.00  0.00           H  
HETATM   48  H   UNL     1       4.810  -1.965  -0.802  1.00  0.00           H  
HETATM   49  H   UNL     1       1.416  -2.559  -1.972  1.00  0.00           H  
HETATM   50  H   UNL     1       2.622  -4.822   2.233  1.00  0.00           H  
HETATM   51  H   UNL     1       4.480   2.898   0.326  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.734   4.353   0.362  1.00  0.00           H  
HETATM   53  H   UNL     1       1.151   0.146   0.836  1.00  0.00           H  
HETATM   54  H   UNL     1       0.886  -0.996  -0.504  1.00  0.00           H  
HETATM   55  H   UNL     1       2.371   0.361  -1.954  1.00  0.00           H  
HETATM   56  H   UNL     1       2.636   1.503  -0.614  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.684   2.150   0.692  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.877   4.027   1.110  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.927   6.230   0.784  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.356   6.393   0.411  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.788   0.928   1.589  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.199   1.711   1.764  1.00  0.00           H  
HETATM   63  H   UNL     1       6.273   4.340  -0.548  1.00  0.00           H  
HETATM   64  H   UNL     1       4.116  -3.111   1.283  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.077  -4.273  -1.024  1.00  0.00           H  
HETATM   66  H   UNL     1       7.113  -0.456   0.220  1.00  0.00           H  
HETATM   67  H   UNL     1       8.914   0.978  -0.649  1.00  0.00           H  
HETATM   68  H   UNL     1       8.565   4.512  -1.298  1.00  0.00           H  
HETATM   69  H   UNL     1       9.603   3.191  -1.339  1.00  0.00           H  
HETATM   70  H   UNL     1       0.525  -5.402   1.079  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.652  -1.606   1.144  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.084  -3.887   1.873  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.740  -5.864   1.514  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.612  -5.975   0.274  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.213  -4.170  -1.284  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.795  -1.892  -2.010  1.00  0.00           H  
CONECT    1    2    9   42                                            
CONECT    2    1    3   43   44                                       
CONECT    3    2   17   45   46                                       
CONECT    4   11   21   47   48                                       
CONECT    5   21   21   22   49                                       
CONECT    6   20   20   30   50                                       
CONECT    7   18   18   19   51                                       
CONECT    8   12   12   15   52                                       
CONECT    9    1   10   53   54                                       
CONECT   10    9   11   55   56                                       
CONECT   11    4   10   23                                            
CONECT   12    8    8   41   57                                       
CONECT   13   14   41   41   58                                       
CONECT   14   13   15   15   59                                       
CONECT   15    8   14   14   60                                       
CONECT   16   17   41   61   62                                       
CONECT   17    3   16   31                                            
CONECT   18    7    7   28   63                                       
CONECT   19    7   23   26   26                                       
CONECT   20    6    6   21   64                                       
CONECT   21    4    5    5   20                                       
CONECT   22    5   30   30   65                                       
CONECT   23   11   19   24   24                                       
CONECT   23   25   25                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   19   19   27   66                                       
CONECT   27   26   28   28   67                                       
CONECT   28   18   27   27   29                                       
CONECT   29   28   68   69                                            
CONECT   30    6   22   22   70                                       
CONECT   31   17   32   32   33                                       
CONECT   31   33   34                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   31   35   35   40                                       
CONECT   35   34   34   36   71                                       
CONECT   36   35   37   37   72                                       
CONECT   37   36   36   38   39                                       
CONECT   38   37   73   74                                            
CONECT   39   37   40   40   75                                       
CONECT   40   34   39   39   76                                       
CONECT   41   12   13   13   16                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
