COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       2.887  -1.349  -0.249  1.00  0.00           S  
HETATM    2  C   UNL     1      -2.271  -0.868   0.166  1.00  0.00           C  
HETATM    3  N   UNL     1       0.161  -1.048  -0.019  1.00  0.00           N  
HETATM    4  O   UNL     1      -3.250   1.245   0.706  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.397  -0.073   0.414  1.00  0.00           C  
HETATM    6  N   UNL     1       1.692   0.749   0.300  1.00  0.00           N  
HETATM    7  O   UNL     1      -0.780   0.900   0.481  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.919  -0.279   0.220  1.00  0.00           C  
HETATM    9  N   UNL     1       5.293   0.240  -0.029  1.00  0.00           N1+
HETATM   10  O   UNL     1      -3.359   1.689  -1.457  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.434  -2.224  -0.128  1.00  0.00           C  
HETATM   12  O   UNL     1       5.826   1.314   0.184  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.662  -0.637   0.361  1.00  0.00           C  
HETATM   14  O   UNL     1       5.973  -0.735  -0.292  1.00  0.00           O1-
HETATM   15  C   UNL     1      -3.699  -2.770  -0.171  1.00  0.00           C  
HETATM   16  C   UNL     1       1.434  -0.493   0.032  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.811  -1.977   0.064  1.00  0.00           C  
HETATM   18  C   UNL     1       3.818   0.121   0.031  1.00  0.00           C  
HETATM   19  C   UNL     1       2.963   1.107   0.307  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.189   2.096  -0.332  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.909   3.557  -0.093  1.00  0.00           C  
HETATM   22  H   UNL     1       0.051  -1.989  -0.227  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.571  -2.844  -0.320  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.533  -0.027   0.551  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.825  -3.818  -0.398  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.798  -2.412   0.024  1.00  0.00           H  
HETATM   27  H   UNL     1       3.283   2.116   0.518  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.834   3.730  -0.123  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.395   4.151  -0.867  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.297   3.846   0.884  1.00  0.00           H  
CONECT    1   16   18                                                 
CONECT    2    5    5    8   11                                       
CONECT    3    8   16   22                                            
CONECT    4    5   20                                                 
CONECT    5    2    2    4   13                                       
CONECT    6   16   16   19                                            
CONECT    7    8    8                                                 
CONECT    8    2    3    7    7                                       
CONECT    9   12   12   14   18                                       
CONECT   10   20   20                                                 
CONECT   11    2   15   15   23                                       
CONECT   12    9    9                                                 
CONECT   13    5   17   17   24                                       
CONECT   14    9                                                      
CONECT   15   11   11   17   25                                       
CONECT   16    1    3    6    6                                       
CONECT   17   13   13   15   26                                       
CONECT   18    1    9   19   19                                       
CONECT   19    6   18   18   27                                       
CONECT   20    4   10   10   21                                       
CONECT   21   20   28   29   30                                       
CONECT   22    3                                                      
CONECT   23   11                                                      
CONECT   24   13                                                      
CONECT   25   15                                                      
CONECT   26   17                                                      
CONECT   27   19                                                      
CONECT   28   21                                                      
CONECT   29   21                                                      
CONECT   30   21                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
