COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.178   3.586   0.978  1.00  0.00           C  
HETATM    2  C   UNL     1       4.042   2.936   1.770  1.00  0.00           C  
HETATM    3  C   UNL     1       3.465   1.793   0.974  1.00  0.00           C  
HETATM    4  C   UNL     1       3.983   0.520   1.118  1.00  0.00           C  
HETATM    5  C   UNL     1       3.454  -0.528   0.388  1.00  0.00           C  
HETATM    6  C   UNL     1       2.413   2.018   0.105  1.00  0.00           C  
HETATM    7  C   UNL     1       1.884   0.970  -0.624  1.00  0.00           C  
HETATM    8  C   UNL     1       2.406  -0.303  -0.485  1.00  0.00           C  
HETATM    9  S   UNL     1       1.731  -1.638  -1.415  1.00  0.00           S  
HETATM   10  O   UNL     1       1.115  -1.060  -2.558  1.00  0.00           O  
HETATM   11  O   UNL     1       2.751  -2.625  -1.497  1.00  0.00           O  
HETATM   12  N   UNL     1       0.512  -2.299  -0.511  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.591  -1.517  -0.143  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.080  -0.557  -1.014  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.172   0.216  -0.649  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.877   1.236  -1.288  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.591   1.769  -2.622  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.864   1.646  -0.470  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.666   2.526  -0.726  1.00  0.00           O  
HETATM   20  N   UNL     1      -3.830   0.937   0.674  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.745   1.094   1.807  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.776   0.026   0.595  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.286  -0.936   1.465  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.199  -1.710   1.097  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.718  -2.655   1.950  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.382  -2.792   3.208  1.00  0.00           C  
HETATM   27  H   UNL     1       5.596   4.412   1.553  1.00  0.00           H  
HETATM   28  H   UNL     1       5.956   2.847   0.786  1.00  0.00           H  
HETATM   29  H   UNL     1       4.792   3.961   0.030  1.00  0.00           H  
HETATM   30  H   UNL     1       4.428   2.560   2.717  1.00  0.00           H  
HETATM   31  H   UNL     1       3.264   3.675   1.962  1.00  0.00           H  
HETATM   32  H   UNL     1       4.801   0.344   1.800  1.00  0.00           H  
HETATM   33  H   UNL     1       3.859  -1.523   0.500  1.00  0.00           H  
HETATM   34  H   UNL     1       2.005   3.012  -0.003  1.00  0.00           H  
HETATM   35  H   UNL     1       1.062   1.145  -1.303  1.00  0.00           H  
HETATM   36  H   UNL     1       0.562  -3.228  -0.235  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.611  -0.410  -1.976  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.153   1.205  -3.366  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.884   2.818  -2.664  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.525   1.681  -2.828  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.466   1.881   1.587  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.273   0.156   1.981  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.176   1.361   2.698  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.753  -1.084   2.428  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.899  -3.577   3.790  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.326  -1.849   3.753  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.427  -3.054   3.040  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    8    8   33                                       
CONECT    6    3    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   11   11   12                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13    9   36                                            
CONECT   13   14   14   24   12                                       
CONECT   14   15   13   13   37                                       
CONECT   15   16   22   22   14                                       
CONECT   16   18   17   15                                            
CONECT   17   16   38   39   40                                       
CONECT   18   19   19   20   16                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   22                                            
CONECT   21   20   41   42   43                                       
CONECT   22   20   15   15   23                                       
CONECT   23   22   24   24   44                                       
CONECT   24   23   23   13   25                                       
CONECT   25   26   24                                                 
CONECT   26   25   45   46   47                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
