COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.927   0.040   0.014  1.00  0.00           C  
HETATM    2  C   UNL     1       3.709   1.347   0.203  1.00  0.00           C  
HETATM    3  C   UNL     1       2.387   1.721   0.227  1.00  0.00           C  
HETATM    4  C   UNL     1       1.526   0.673   0.049  1.00  0.00           C  
HETATM    5  C   UNL     1       0.066   0.768   0.028  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.031  -0.223  -0.067  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.751   0.329  -1.117  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.124   0.448  -1.024  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.781   0.017   0.114  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.066  -0.534   1.161  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.694  -0.660   1.071  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.279   0.148   0.212  1.00  0.00           C  
HETATM   13  N   UNL     1       5.266  -0.588  -0.041  1.00  0.00           N1+
HETATM   14  O   UNL     1       5.369  -1.789  -0.213  1.00  0.00           O  
HETATM   15  O   UNL     1       6.266   0.097   0.085  1.00  0.00           O1-
HETATM   16  O   UNL     1      -0.476   1.848   0.176  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.680  -0.341  -0.155  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.896  -1.034  -0.303  1.00  0.00           O  
HETATM   19  S   UNL     1       2.455  -0.807  -0.148  1.00  0.00           S  
HETATM   20  H   UNL     1       4.514   2.056   0.329  1.00  0.00           H  
HETATM   21  H   UNL     1       2.060   2.740   0.371  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.238   0.666  -2.005  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.685   0.877  -1.841  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.582  -0.869   2.049  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.136  -1.091   1.890  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.565   0.282   1.255  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.608   1.011  -0.368  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.862  -1.020  -0.271  1.00  0.00           H  
CONECT    1    2    2   13   19                                       
CONECT    2    3    1    1   20                                       
CONECT    3    2    4    4   21                                       
CONECT    4    3    3    5   19                                       
CONECT    5   17    4   16   16                                       
CONECT    6   11   11    7   17                                       
CONECT    7    8    8    6   22                                       
CONECT    8    9    7    7   23                                       
CONECT    9   12   10   10    8                                       
CONECT   10    9    9   11   24                                       
CONECT   11   10    6    6   25                                       
CONECT   12   18    9   26   27                                       
CONECT   13   14   14    1   15                                       
CONECT   14   13   13                                                 
CONECT   15   13                                                      
CONECT   16    5    5                                                 
CONECT   17    6    5                                                 
CONECT   18   12   28                                                 
CONECT   19    1    4                                                 
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   18                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
