COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.032   0.949   2.557  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.257   0.442   1.368  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.827  -0.166   0.487  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.930   0.662   1.285  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.177   0.169   0.129  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.269   1.184  -1.011  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.781   2.549  -0.520  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.396   0.720  -2.179  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.722   1.299  -1.475  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.733  -0.023   0.516  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.232   0.687   1.362  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.998  -0.983  -0.079  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.500  -1.971  -1.052  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.514  -3.162  -0.952  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.830  -3.996   0.164  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.163  -2.430  -0.735  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.561  -1.214   0.129  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.772  -0.003  -0.298  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.348   0.975  -0.727  1.00  0.00           O  
HETATM   20  N   UNL     1       0.572  -0.006  -0.202  1.00  0.00           N  
HETATM   21  C   UNL     1       1.338   1.172  -0.617  1.00  0.00           C  
HETATM   22  C   UNL     1       2.809   0.913  -0.411  1.00  0.00           C  
HETATM   23  C   UNL     1       3.559   0.352  -1.429  1.00  0.00           C  
HETATM   24  C   UNL     1       4.905   0.112  -1.247  1.00  0.00           C  
HETATM   25  C   UNL     1       3.404   1.242   0.794  1.00  0.00           C  
HETATM   26  C   UNL     1       4.749   1.008   0.989  1.00  0.00           C  
HETATM   27  C   UNL     1       5.510   0.437  -0.032  1.00  0.00           C  
HETATM   28  C   UNL     1       6.953   0.183   0.171  1.00  0.00           C  
HETATM   29  S   UNL     1       8.247   0.593  -0.953  1.00  0.00           S  
HETATM   30  C   UNL     1       9.403  -0.057   0.126  1.00  0.00           C  
HETATM   31  N   UNL     1       8.822  -0.512   1.186  1.00  0.00           N  
HETATM   32  C   UNL     1       7.514  -0.399   1.252  1.00  0.00           C  
HETATM   33  C   UNL     1       6.710  -0.886   2.429  1.00  0.00           C  
HETATM   34  H   UNL     1      -9.082   0.677   2.449  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.633   0.503   3.468  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.942   2.034   2.613  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.474   1.148   1.990  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.595  -0.784  -0.197  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.746   2.467  -0.189  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.847   3.272  -1.333  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.403   2.879   0.312  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.784  -0.219  -2.572  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.409   1.476  -2.965  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.373   0.574  -1.832  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.345   1.630  -0.643  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.788   2.023  -2.288  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.070   0.327  -1.825  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.507  -2.289  -0.784  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.490  -1.551  -2.058  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.503  -3.738  -1.877  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.708  -4.398   0.118  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.456  -3.067  -0.202  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.748  -2.106  -1.689  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.373  -1.430   1.181  1.00  0.00           H  
HETATM   55  H   UNL     1       1.032  -0.788   0.141  1.00  0.00           H  
HETATM   56  H   UNL     1       1.150   1.375  -1.671  1.00  0.00           H  
HETATM   57  H   UNL     1       1.034   2.032  -0.021  1.00  0.00           H  
HETATM   58  H   UNL     1       3.089   0.100  -2.368  1.00  0.00           H  
HETATM   59  H   UNL     1       5.489  -0.326  -2.042  1.00  0.00           H  
HETATM   60  H   UNL     1       2.813   1.684   1.584  1.00  0.00           H  
HETATM   61  H   UNL     1       5.212   1.266   1.930  1.00  0.00           H  
HETATM   62  H   UNL     1      10.467  -0.083  -0.054  1.00  0.00           H  
HETATM   63  H   UNL     1       6.538  -0.059   3.119  1.00  0.00           H  
HETATM   64  H   UNL     1       5.752  -1.272   2.080  1.00  0.00           H  
HETATM   65  H   UNL     1       7.256  -1.678   2.941  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   37                                            
CONECT    5   10    6    4   38                                       
CONECT    6    8    5    9    7                                       
CONECT    7    6   39   40   41                                       
CONECT    8    6   42   43   44                                       
CONECT    9    6   45   46   47                                       
CONECT   10   12   11   11    5                                       
CONECT   11   10   10                                                 
CONECT   12   17   13   10                                            
CONECT   13   14   12   48   49                                       
CONECT   14   16   15   13   50                                       
CONECT   15   14   51                                                 
CONECT   16   17   14   52   53                                       
CONECT   17   16   18   12   54                                       
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   55                                            
CONECT   21   22   20   56   57                                       
CONECT   22   25   25   23   21                                       
CONECT   23   24   24   22   58                                       
CONECT   24   27   23   23   59                                       
CONECT   25   26   22   22   60                                       
CONECT   26   27   27   25   61                                       
CONECT   27   28   26   26   24                                       
CONECT   28   32   32   29   27                                       
CONECT   29   30   28                                                 
CONECT   30   31   31   29   62                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   28   28                                       
CONECT   33   32   63   64   65                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
