COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       3.297   2.971   0.459  1.00  0.00          Cl  
HETATM    2  C   UNL     1       3.830   1.323   0.581  1.00  0.00           C  
HETATM    3  C   UNL     1       4.643   0.935   1.631  1.00  0.00           C  
HETATM    4  C   UNL     1       5.067  -0.377   1.728  1.00  0.00           C  
HETATM    5  C   UNL     1       4.672  -1.303   0.780  1.00  0.00           C  
HETATM    6 CL   UNL     1       5.205  -2.951   0.902  1.00  0.00          Cl  
HETATM    7  C   UNL     1       3.854  -0.917  -0.266  1.00  0.00           C  
HETATM    8  C   UNL     1       3.430   0.396  -0.364  1.00  0.00           C  
HETATM    9  S   UNL     1       2.388   0.888  -1.696  1.00  0.00           S  
HETATM   10  O   UNL     1       2.981   2.061  -2.237  1.00  0.00           O  
HETATM   11  O   UNL     1       2.102  -0.299  -2.422  1.00  0.00           O  
HETATM   12  N   UNL     1       0.945   1.374  -1.043  1.00  0.00           N  
HETATM   13  C   UNL     1       0.113   0.441  -0.413  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.245   0.430  -0.687  1.00  0.00           C  
HETATM   15  C   UNL     1       0.650  -0.473   0.486  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.166  -1.397   1.110  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.525  -1.417   0.844  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.325  -2.327   1.460  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.071  -0.504  -0.063  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.523  -0.521  -0.352  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.417   0.248   0.429  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.955   1.053   1.482  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.843   1.786   2.209  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.205   1.755   1.920  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.688   0.991   0.902  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.801   0.220   0.130  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.267  -0.580  -0.929  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.391  -1.317  -1.665  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.024  -1.298  -1.389  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.174  -2.045  -2.141  1.00  0.00           O  
HETATM   31  H   UNL     1       4.951   1.658   2.372  1.00  0.00           H  
HETATM   32  H   UNL     1       5.706  -0.679   2.545  1.00  0.00           H  
HETATM   33  H   UNL     1       3.545  -1.640  -1.007  1.00  0.00           H  
HETATM   34  H   UNL     1       0.678   2.304  -1.096  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.662   1.141  -1.386  1.00  0.00           H  
HETATM   36  H   UNL     1       1.709  -0.461   0.697  1.00  0.00           H  
HETATM   37  H   UNL     1       0.257  -2.104   1.808  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.635  -1.918   2.279  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.902   1.086   1.717  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.485   2.401   3.022  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.889   2.345   2.512  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.746   0.976   0.689  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.322  -0.608  -1.159  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.761  -1.928  -2.475  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.107  -2.909  -1.712  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    8                                       
CONECT    3    2    2    4   31                                       
CONECT    4    3    5    5   32                                       
CONECT    5    4    4    6    7                                       
CONECT    6    5                                                      
CONECT    7    5    8    8   33                                       
CONECT    8    2    7    7    9                                       
CONECT    9    8   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   34                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   19   35                                       
CONECT   15   13   16   16   36                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   38                                                 
CONECT   19   14   17   17   20                                       
CONECT   20   19   21   21   29                                       
CONECT   21   20   20   22   26                                       
CONECT   22   21   23   23   39                                       
CONECT   23   22   22   24   40                                       
CONECT   24   23   25   25   41                                       
CONECT   25   24   24   26   42                                       
CONECT   26   21   25   27   27                                       
CONECT   27   26   26   28   43                                       
CONECT   28   27   29   29   44                                       
CONECT   29   20   28   28   30                                       
CONECT   30   29   45                                                 
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   30                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
