COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.499  -0.806   0.280  1.00  0.00           C  
HETATM    2  C   UNL     1       2.537   0.045  -0.265  1.00  0.00           C  
HETATM    3  C   UNL     1       2.622   1.221   0.369  1.00  0.00           C  
HETATM    4  C   UNL     1       3.615   2.312   0.017  1.00  0.00           C  
HETATM    5  C   UNL     1       4.726   1.709  -0.848  1.00  0.00           C  
HETATM    6  C   UNL     1       4.090   0.916  -1.993  1.00  0.00           C  
HETATM    7  C   UNL     1       3.436  -0.346  -1.428  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.213  -0.896   1.975  1.00  0.00           N  
HETATM    9  N   UNL     1      -4.252   1.469  -0.500  1.00  0.00           N1+
HETATM   10  C   UNL     1       1.125  -2.167  -0.159  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.936  -1.206   0.293  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.016  -2.683   0.350  1.00  0.00           N  
HETATM   13  C   UNL     1       0.821  -0.216   1.337  1.00  0.00           C  
HETATM   14  O   UNL     1       1.812  -2.794  -0.944  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.355  -1.633  -0.912  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.289  -0.682  -1.382  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.386   0.269  -0.436  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.933  -1.903   1.175  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.560  -0.051   0.574  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.959   1.658  -1.473  1.00  0.00           O1-
HETATM   21  O   UNL     1      -4.256   2.266   0.421  1.00  0.00           O  
HETATM   22  S   UNL     1       1.432   1.330   1.657  1.00  0.00           S  
HETATM   23  H   UNL     1       3.109   3.102  -0.538  1.00  0.00           H  
HETATM   24  H   UNL     1       4.046   2.723   0.930  1.00  0.00           H  
HETATM   25  H   UNL     1       5.344   2.508  -1.256  1.00  0.00           H  
HETATM   26  H   UNL     1       5.340   1.044  -0.241  1.00  0.00           H  
HETATM   27  H   UNL     1       3.334   1.529  -2.485  1.00  0.00           H  
HETATM   28  H   UNL     1       4.859   0.637  -2.714  1.00  0.00           H  
HETATM   29  H   UNL     1       4.208  -1.032  -1.078  1.00  0.00           H  
HETATM   30  H   UNL     1       2.841  -0.828  -2.203  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.449  -0.716   2.899  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.234  -3.609   0.160  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.038  -2.531  -1.423  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.823  -0.713  -2.320  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.460  -2.581   1.847  1.00  0.00           H  
CONECT    1   13   13    2   10                                       
CONECT    2    3    3    1    7                                       
CONECT    3    4   22    2    2                                       
CONECT    4    5    3   23   24                                       
CONECT    5    4    6   25   26                                       
CONECT    6    5    7   27   28                                       
CONECT    7    6    2   29   30                                       
CONECT    8   13   18   31                                            
CONECT    9   21   21   20   17                                       
CONECT   10    1   12   14   14                                       
CONECT   11   19   18   15   15                                       
CONECT   12   18   10   32                                            
CONECT   13   22    8    1    1                                       
CONECT   14   10   10                                                 
CONECT   15   11   11   16   33                                       
CONECT   16   17   17   15   34                                       
CONECT   17    9   19   16   16                                       
CONECT   18    8   11   12   35                                       
CONECT   19   17   11                                                 
CONECT   20    9                                                      
CONECT   21    9    9                                                 
CONECT   22    3   13                                                 
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   12                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
