COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.245   4.692  -4.149  1.00  0.00           C  
HETATM    2  N   UNL     1       2.575   3.484  -4.024  1.00  0.00           N  
HETATM    3  C   UNL     1       3.417   2.516  -4.232  1.00  0.00           C  
HETATM    4  C   UNL     1       3.041   1.063  -4.176  1.00  0.00           C  
HETATM    5  N   UNL     1       2.211   0.758  -3.015  1.00  0.00           N  
HETATM    6  C   UNL     1       0.802   0.865  -3.174  1.00  0.00           C  
HETATM    7  O   UNL     1       0.279   1.189  -4.244  1.00  0.00           O  
HETATM    8  N   UNL     1       0.061   0.570  -2.017  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.396   0.651  -2.072  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.812   2.042  -1.703  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.166   2.142  -1.724  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.070   2.971  -1.419  1.00  0.00           O  
HETATM   13  C   UNL     1       0.662   0.206  -0.834  1.00  0.00           C  
HETATM   14  C   UNL     1       1.982   0.102  -0.689  1.00  0.00           C  
HETATM   15  C   UNL     1       2.869   0.385  -1.835  1.00  0.00           C  
HETATM   16  O   UNL     1       4.085   0.277  -1.688  1.00  0.00           O  
HETATM   17  S   UNL     1       5.029   2.923  -4.584  1.00  0.00           S  
HETATM   18  C   UNL     1       4.605   4.589  -4.455  1.00  0.00           C  
HETATM   19  C   UNL     1       5.418   5.723  -4.614  1.00  0.00           C  
HETATM   20  C   UNL     1       4.835   6.983  -4.458  1.00  0.00           C  
HETATM   21  C   UNL     1       3.484   7.111  -4.153  1.00  0.00           C  
HETATM   22 CL   UNL     1       2.793   8.677  -3.965  1.00  0.00          Cl  
HETATM   23  C   UNL     1       2.681   5.978  -3.996  1.00  0.00           C  
HETATM   24  H   UNL     1       2.484   0.774  -5.073  1.00  0.00           H  
HETATM   25  H   UNL     1       3.931   0.428  -4.127  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.819  -0.061  -1.359  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.728   0.421  -3.088  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.470   3.043  -1.487  1.00  0.00           H  
HETATM   29  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   30  H   UNL     1       2.430  -0.187   0.254  1.00  0.00           H  
HETATM   31  H   UNL     1       6.473   5.631  -4.851  1.00  0.00           H  
HETATM   32  H   UNL     1       5.460   7.865  -4.580  1.00  0.00           H  
HETATM   33  H   UNL     1       1.625   6.073  -3.758  1.00  0.00           H  
CONECT    1   23   23   18    2                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2   17    4                                       
CONECT    4    3    5   24   25                                       
CONECT    5    4   15    6                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   13    9                                            
CONECT    9    8   10   26   27                                       
CONECT   10    9   12   12   11                                       
CONECT   11   10   28                                                 
CONECT   12   10   10                                                 
CONECT   13    8   14   14   29                                       
CONECT   14   13   13   15   30                                       
CONECT   15    5   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17    3   18                                                 
CONECT   18    1   17   19   19                                       
CONECT   19   18   18   20   31                                       
CONECT   20   19   21   21   32                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21                                                      
CONECT   23    1    1   21   33                                       
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   19                                                      
CONECT   32   20                                                      
CONECT   33   23                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
