COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.157  -0.556   1.501  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.121  -1.266   0.748  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.568  -2.520   1.267  1.00  0.00           C  
HETATM    4  S   UNL     1      -4.574  -0.652  -0.689  1.00  0.00           S  
HETATM    5  O   UNL     1      -4.043  -1.750  -1.419  1.00  0.00           O  
HETATM    6  O   UNL     1      -5.608   0.185  -1.188  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.213   0.405  -0.321  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.932  -0.108  -0.287  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.861   0.731   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.430   1.750  -0.071  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.374   2.591   0.219  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.077   2.092   0.263  1.00  0.00           C  
HETATM   13  N   UNL     1       0.142   2.706   0.524  1.00  0.00           N  
HETATM   14  C   UNL     1       1.157   1.828   0.452  1.00  0.00           C  
HETATM   15  O   UNL     1       2.335   2.080   0.634  1.00  0.00           O  
HETATM   16  C   UNL     1       0.598   0.512   0.118  1.00  0.00           C  
HETATM   17  C   UNL     1       1.285  -0.674  -0.053  1.00  0.00           C  
HETATM   18  C   UNL     1       2.695  -0.678  -0.059  1.00  0.00           C  
HETATM   19  C   UNL     1       3.517  -1.661   0.476  1.00  0.00           C  
HETATM   20  C   UNL     1       4.829  -1.260   0.249  1.00  0.00           C  
HETATM   21  C   UNL     1       6.094  -1.985   0.638  1.00  0.00           C  
HETATM   22  C   UNL     1       7.257  -1.393  -0.166  1.00  0.00           C  
HETATM   23  C   UNL     1       7.235   0.134  -0.046  1.00  0.00           C  
HETATM   24  C   UNL     1       6.038   0.692  -0.825  1.00  0.00           C  
HETATM   25  C   UNL     1       4.800  -0.067  -0.405  1.00  0.00           C  
HETATM   26  N   UNL     1       3.512   0.293  -0.604  1.00  0.00           N  
HETATM   27  H   UNL     1      -5.689   0.148   2.189  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.801  -0.013   0.809  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.753  -1.273   2.065  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.157  -3.358   0.894  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.535  -2.626   0.936  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.602  -2.509   2.356  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.761  -1.155  -0.485  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.435   2.144  -0.103  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.556   3.637   0.411  1.00  0.00           H  
HETATM   36  H   UNL     1       0.247   3.648   0.730  1.00  0.00           H  
HETATM   37  H   UNL     1       0.743  -1.599  -0.182  1.00  0.00           H  
HETATM   38  H   UNL     1       3.197  -2.564   0.974  1.00  0.00           H  
HETATM   39  H   UNL     1       3.211   1.099  -1.051  1.00  0.00           H  
HETATM   40  H   UNL     1       6.279  -1.853   1.704  1.00  0.00           H  
HETATM   41  H   UNL     1       5.993  -3.046   0.411  1.00  0.00           H  
HETATM   42  H   UNL     1       8.200  -1.774   0.225  1.00  0.00           H  
HETATM   43  H   UNL     1       7.157  -1.676  -1.214  1.00  0.00           H  
HETATM   44  H   UNL     1       7.148   0.414   1.003  1.00  0.00           H  
HETATM   45  H   UNL     1       8.158   0.544  -0.457  1.00  0.00           H  
HETATM   46  H   UNL     1       5.914   1.750  -0.598  1.00  0.00           H  
HETATM   47  H   UNL     1       6.202   0.561  -1.895  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3    4                                            
CONECT    3    2   30   31   32                                       
CONECT    4    2    5    5    6                                       
CONECT    4    6    7                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    4    8   10   10                                       
CONECT    8    7    9    9   33                                       
CONECT    9    8    8   12   16                                       
CONECT   10    7    7   11   34                                       
CONECT   11   10   12   12   35                                       
CONECT   12    9   11   11   13                                       
CONECT   13   12   14   36                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16    9   14   17   17                                       
CONECT   17   16   16   18   37                                       
CONECT   18   17   19   19   26                                       
CONECT   19   18   18   20   38                                       
CONECT   20   19   21   25   25                                       
CONECT   21   20   22   40   41                                       
CONECT   22   21   23   42   43                                       
CONECT   23   22   24   44   45                                       
CONECT   24   23   25   46   47                                       
CONECT   25   20   20   24   26                                       
CONECT   26   18   25   39                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   26                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
