COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.860  -0.928   0.007  1.00  0.00           O  
HETATM    2  C   UNL     1       3.637   0.003   0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       5.122  -0.255  -0.001  1.00  0.00           C  
HETATM    4  S   UNL     1       5.425  -2.044  -0.002  1.00  0.00           S  
HETATM    5  N   UNL     1       3.173   1.268   0.000  1.00  0.00           N  
HETATM    6  C   UNL     1       1.799   1.507  -0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       0.821   0.563   0.002  1.00  0.00           C  
HETATM    8  N   UNL     1       1.197   2.725   0.001  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.189   2.524  -0.001  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.419   1.229  -0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.754   0.581   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.909   1.361  -0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.857  -0.808  -0.002  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.102  -1.406  -0.002  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.246  -0.627   0.001  1.00  0.00           C  
HETATM   16 CL   UNL     1      -5.808  -1.384   0.001  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -4.149   0.754  -0.002  1.00  0.00           C  
HETATM   18  H   UNL     1       5.565   0.189  -0.893  1.00  0.00           H  
HETATM   19  H   UNL     1       5.571   0.189   0.887  1.00  0.00           H  
HETATM   20  H   UNL     1       6.767  -2.123  -0.007  1.00  0.00           H  
HETATM   21  H   UNL     1       3.795   2.013  -0.002  1.00  0.00           H  
HETATM   22  H   UNL     1       0.970  -0.507   0.005  1.00  0.00           H  
HETATM   23  H   UNL     1       1.648   3.584   0.004  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.834   2.438  -0.004  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.965  -1.417  -0.004  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.182  -2.483  -0.003  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.044   1.358  -0.004  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    5    1    1                                       
CONECT    3    4    2   18   19                                       
CONECT    4    3   20                                                 
CONECT    5    2    6   21                                            
CONECT    6    5    8    7    7                                       
CONECT    7    6    6   10   22                                       
CONECT    8    6    9   23                                            
CONECT    9    8   10   10                                            
CONECT   10    9    9    7   11                                       
CONECT   11   10   13   13   12                                       
CONECT   12   11   17   17   24                                       
CONECT   13   11   11   14   25                                       
CONECT   14   13   15   15   26                                       
CONECT   15   14   14   17   16                                       
CONECT   16   15                                                      
CONECT   17   12   12   15   27                                       
CONECT   18    3                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   14                                                      
CONECT   27   17                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
