COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.892   1.030  -1.859  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.276  -0.111  -2.337  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.630   1.471  -0.576  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.397  -0.811  -1.532  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.751   0.772   0.229  1.00  0.00           C  
HETATM    6  C   UNL     1       1.497  -1.718  -0.189  1.00  0.00           C  
HETATM    7  C   UNL     1       2.776  -1.341  -0.553  1.00  0.00           C  
HETATM    8  C   UNL     1       2.292   0.916   0.091  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.134  -0.369  -0.249  1.00  0.00           C  
HETATM   10  S   UNL     1      -1.014  -1.261   0.778  1.00  0.00           S  
HETATM   11  O   UNL     1      -1.213  -0.781   2.101  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.145  -2.630   0.420  1.00  0.00           O  
HETATM   13  C   UNL     1       0.616  -0.779   0.314  1.00  0.00           C  
HETATM   14  C   UNL     1       3.174  -0.023  -0.414  1.00  0.00           C  
HETATM   15 CL   UNL     1       4.781   0.452  -0.870  1.00  0.00          Cl  
HETATM   16  C   UNL     1       1.014   0.537   0.455  1.00  0.00           C  
HETATM   17  N   UNL     1       0.070   1.541   0.995  1.00  0.00           N1+
HETATM   18  O   UNL     1       0.076   2.679   0.560  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.713   1.230   1.875  1.00  0.00           O1-
HETATM   20  H   UNL     1      -4.576   1.579  -2.490  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.481  -0.456  -3.340  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.112   2.363  -0.203  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.915  -1.703  -1.905  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.545   1.117   1.232  1.00  0.00           H  
HETATM   25  H   UNL     1       1.185  -2.746  -0.303  1.00  0.00           H  
HETATM   26  H   UNL     1       3.464  -2.075  -0.946  1.00  0.00           H  
HETATM   27  H   UNL     1       2.603   1.944   0.200  1.00  0.00           H  
CONECT    1    2    2    3   20                                       
CONECT    2    1    1    4   21                                       
CONECT    3    1    5    5   22                                       
CONECT    4    2    9    9   23                                       
CONECT    5    3    3    9   24                                       
CONECT    6    7    7   13   25                                       
CONECT    7    6    6   14   26                                       
CONECT    8   14   14   16   27                                       
CONECT    9    4    4    5   10                                       
CONECT   10    9   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13    6   10   16   16                                       
CONECT   14    7    8    8   15                                       
CONECT   15   14                                                      
CONECT   16    8   13   13   17                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17                                                      
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
