COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.715  -0.632   0.083  1.00  0.00           C  
HETATM    2  C   UNL     1       4.166  -0.317   0.292  1.00  0.00           C  
HETATM    3  C   UNL     1       5.288   1.810  -0.384  1.00  0.00           C  
HETATM    4  C   UNL     1       6.627  -0.044   0.621  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.115   0.940  -1.397  1.00  0.00           N  
HETATM    6  S   UNL     1      -4.699   0.397   0.111  1.00  0.00           S  
HETATM    7  O   UNL     1      -4.909   1.485   1.001  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.325  -0.868   0.269  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.963   0.095   0.096  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.036   0.948   0.396  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.845   0.537   0.324  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.653  -0.695  -0.042  1.00  0.00           C  
HETATM   13  N   UNL     1       0.584  -1.318  -0.176  1.00  0.00           N  
HETATM   14  O   UNL     1       1.655   0.528   0.432  1.00  0.00           O  
HETATM   15  C   UNL     1       3.054  -1.309  -0.057  1.00  0.00           C  
HETATM   16  C   UNL     1       4.177   0.818  -0.734  1.00  0.00           C  
HETATM   17  C   UNL     1       6.638   1.091  -0.405  1.00  0.00           C  
HETATM   18  C   UNL     1       5.516  -1.036   0.272  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.175  -1.427  -0.324  1.00  0.00           S  
HETATM   20  H   UNL     1       3.987   0.094   1.286  1.00  0.00           H  
HETATM   21  H   UNL     1       5.296   2.619  -1.115  1.00  0.00           H  
HETATM   22  H   UNL     1       5.110   2.221   0.609  1.00  0.00           H  
HETATM   23  H   UNL     1       7.589  -0.556   0.607  1.00  0.00           H  
HETATM   24  H   UNL     1       6.449   0.367   1.615  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.037   1.165  -1.594  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.435   1.033  -2.084  1.00  0.00           H  
HETATM   27  H   UNL     1       0.632  -2.245  -0.455  1.00  0.00           H  
HETATM   28  H   UNL     1       3.103  -2.162   0.620  1.00  0.00           H  
HETATM   29  H   UNL     1       3.183  -1.652  -1.083  1.00  0.00           H  
HETATM   30  H   UNL     1       4.355   0.408  -1.727  1.00  0.00           H  
HETATM   31  H   UNL     1       3.215   1.331  -0.719  1.00  0.00           H  
HETATM   32  H   UNL     1       6.817   0.681  -1.398  1.00  0.00           H  
HETATM   33  H   UNL     1       7.430   1.798  -0.156  1.00  0.00           H  
HETATM   34  H   UNL     1       5.508  -1.844   1.003  1.00  0.00           H  
HETATM   35  H   UNL     1       5.694  -1.446  -0.722  1.00  0.00           H  
CONECT    1   15   13   14   14                                       
CONECT    2   15   16   18   20                                       
CONECT    3   16   17   21   22                                       
CONECT    4   18   17   23   24                                       
CONECT    5    6   25   26                                            
CONECT    6    9    5    8    8                                       
CONECT    6    7    7                                                 
CONECT    7    6    6                                                 
CONECT    8    6    6                                                 
CONECT    9   19   10   10    6                                       
CONECT   10   11    9    9                                            
CONECT   11   12   12   10                                            
CONECT   12   13   11   11   19                                       
CONECT   13    1   12   27                                            
CONECT   14    1    1                                                 
CONECT   15    1    2   28   29                                       
CONECT   16    2    3   30   31                                       
CONECT   17    3    4   32   33                                       
CONECT   18    2    4   34   35                                       
CONECT   19   12    9                                                 
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27   13                                                      
CONECT   28   15                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
