COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       4.640   2.725   1.231  1.00  0.00          Cl  
HETATM    2  C   UNL     1       4.570   1.577  -0.069  1.00  0.00           C  
HETATM    3  C   UNL     1       5.685   1.351  -0.853  1.00  0.00           C  
HETATM    4  C   UNL     1       5.629   0.436  -1.889  1.00  0.00           C  
HETATM    5  C   UNL     1       4.459  -0.253  -2.146  1.00  0.00           C  
HETATM    6  C   UNL     1       3.340  -0.032  -1.367  1.00  0.00           C  
HETATM    7  C   UNL     1       3.392   0.881  -0.321  1.00  0.00           C  
HETATM    8  S   UNL     1       1.967   1.166   0.675  1.00  0.00           S  
HETATM    9  C   UNL     1       0.732   0.056  -0.053  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.567   0.185   0.701  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.650   0.951   1.638  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.635  -0.550   0.335  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.535  -1.475  -0.797  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.090  -2.828  -0.302  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.866  -3.796   0.088  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.150  -4.804   0.443  1.00  0.00           N  
HETATM   17  O   UNL     1       0.183  -3.256  -0.190  1.00  0.00           O  
HETATM   18  C   UNL     1       0.118  -4.511   0.290  1.00  0.00           C  
HETATM   19  N   UNL     1       1.190  -5.339   0.567  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.897  -0.425   1.068  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.740   0.654   0.437  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.547   1.995   0.797  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.318   2.958   0.216  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.289   2.585  -0.730  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.985   3.437  -1.257  1.00  0.00           O  
HETATM   26  N   UNL     1      -5.450   1.288  -1.054  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.679   0.329  -0.481  1.00  0.00           C  
HETATM   28  H   UNL     1       6.601   1.888  -0.655  1.00  0.00           H  
HETATM   29  H   UNL     1       6.503   0.261  -2.500  1.00  0.00           H  
HETATM   30  H   UNL     1       4.419  -0.965  -2.957  1.00  0.00           H  
HETATM   31  H   UNL     1       2.426  -0.571  -1.568  1.00  0.00           H  
HETATM   32  H   UNL     1       0.573   0.324  -1.098  1.00  0.00           H  
HETATM   33  H   UNL     1       1.086  -0.973   0.008  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.508  -1.566  -1.279  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.808  -1.094  -1.514  1.00  0.00           H  
HETATM   36  H   UNL     1       1.037  -6.234   0.908  1.00  0.00           H  
HETATM   37  H   UNL     1       2.096  -5.025   0.419  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.434  -1.373   1.033  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.690  -0.163   2.106  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.796   2.262   1.525  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.184   3.997   0.480  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.821  -0.706  -0.757  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.122   1.037  -1.707  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    7    1    3    3                                       
CONECT    3    2    2    4   28                                       
CONECT    4    5    5    3   29                                       
CONECT    5    6    4    4   30                                       
CONECT    6    7    7    5   31                                       
CONECT    7    8    6    6    2                                       
CONECT    8    9    7                                                 
CONECT    9   10    8   32   33                                       
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   20   10   13                                            
CONECT   13   12   14   34   35                                       
CONECT   14   15   15   17   13                                       
CONECT   15   16   14   14                                            
CONECT   16   18   18   15                                            
CONECT   17   18   14                                                 
CONECT   18   16   16   19   17                                       
CONECT   19   18   36   37                                            
CONECT   20   21   12   38   39                                       
CONECT   21   22   20   27   27                                       
CONECT   22   23   23   21   40                                       
CONECT   23   22   22   24   41                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   43                                            
CONECT   27   21   21   26   42                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   27                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
