COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.282   1.691  -0.498  1.00  0.00           C  
HETATM    2  C   UNL     1       6.081   2.590   0.536  1.00  0.00           C  
HETATM    3  C   UNL     1       5.242   2.259   1.586  1.00  0.00           C  
HETATM    4  C   UNL     1       4.606   1.032   1.601  1.00  0.00           C  
HETATM    5  C   UNL     1       4.807   0.135   0.568  1.00  0.00           C  
HETATM    6  C   UNL     1       5.641   0.466  -0.483  1.00  0.00           C  
HETATM    7  C   UNL     1       4.113  -1.203   0.587  1.00  0.00           C  
HETATM    8  C   UNL     1       2.761  -1.086  -0.120  1.00  0.00           C  
HETATM    9  N   UNL     1       2.085  -2.390  -0.102  1.00  0.00           N  
HETATM   10  C   UNL     1       2.817  -3.374  -0.910  1.00  0.00           C  
HETATM   11  C   UNL     1       2.340  -4.783  -0.553  1.00  0.00           C  
HETATM   12  C   UNL     1       3.024  -5.800  -1.468  1.00  0.00           C  
HETATM   13  C   UNL     1       2.694  -5.088   0.904  1.00  0.00           C  
HETATM   14  C   UNL     1       0.693  -2.267  -0.555  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.152  -1.638   0.555  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.586  -1.445   0.057  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.345  -0.753   1.050  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.650  -0.499   0.763  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.188  -0.913  -0.447  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.512  -0.655  -0.739  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.307   0.018   0.179  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.769   0.432   1.390  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.445   0.169   1.683  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.650   0.280  -0.116  1.00  0.00           N  
HETATM   25  S   UNL     1      -8.127   1.816  -0.509  1.00  0.00           S  
HETATM   26  C   UNL     1      -7.250   2.181  -2.055  1.00  0.00           C  
HETATM   27  O   UNL     1      -9.523   1.701  -0.744  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.626   2.621   0.550  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.156  -2.499   1.696  1.00  0.00           O  
HETATM   30 CL   UNL     1       6.881   4.130   0.517  1.00  0.00          Cl  
HETATM   31 CL   UNL     1       7.334   2.106  -1.815  1.00  0.00          Cl  
HETATM   32  H   UNL     1       5.085   2.959   2.393  1.00  0.00           H  
HETATM   33  H   UNL     1       3.951   0.773   2.421  1.00  0.00           H  
HETATM   34  H   UNL     1       5.797  -0.235  -1.290  1.00  0.00           H  
HETATM   35  H   UNL     1       4.730  -1.939   0.071  1.00  0.00           H  
HETATM   36  H   UNL     1       3.958  -1.518   1.619  1.00  0.00           H  
HETATM   37  H   UNL     1       2.144  -0.349   0.396  1.00  0.00           H  
HETATM   38  H   UNL     1       2.916  -0.771  -1.152  1.00  0.00           H  
HETATM   39  H   UNL     1       2.633  -3.185  -1.967  1.00  0.00           H  
HETATM   40  H   UNL     1       3.884  -3.289  -0.706  1.00  0.00           H  
HETATM   41  H   UNL     1       1.259  -4.845  -0.684  1.00  0.00           H  
HETATM   42  H   UNL     1       4.104  -5.738  -1.337  1.00  0.00           H  
HETATM   43  H   UNL     1       2.684  -6.804  -1.214  1.00  0.00           H  
HETATM   44  H   UNL     1       2.772  -5.583  -2.506  1.00  0.00           H  
HETATM   45  H   UNL     1       2.207  -4.363   1.556  1.00  0.00           H  
HETATM   46  H   UNL     1       2.354  -6.092   1.158  1.00  0.00           H  
HETATM   47  H   UNL     1       3.775  -5.026   1.035  1.00  0.00           H  
HETATM   48  H   UNL     1       0.654  -1.635  -1.443  1.00  0.00           H  
HETATM   49  H   UNL     1       0.300  -3.255  -0.795  1.00  0.00           H  
HETATM   50  H   UNL     1       0.271  -0.672   0.830  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.575  -0.862  -0.864  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.039  -2.418  -0.134  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.569  -1.437  -1.161  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.931  -0.978  -1.681  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.386   0.956   2.105  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.027   0.487   2.627  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.301  -0.438  -0.090  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.637   3.105  -2.484  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.185   2.293  -1.851  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.400   1.362  -2.759  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.450  -3.401   1.507  1.00  0.00           H  
CONECT    1    2    2    6   31                                       
CONECT    2    3   30    1    1                                       
CONECT    3    4    4    2   32                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    1   34                                       
CONECT    7    8    5   35   36                                       
CONECT    8    9    7   37   38                                       
CONECT    9   10   14    8                                            
CONECT   10   11    9   39   40                                       
CONECT   11   12   10   13   41                                       
CONECT   12   11   42   43   44                                       
CONECT   13   11   45   46   47                                       
CONECT   14    9   15   48   49                                       
CONECT   15   14   16   29   50                                       
CONECT   16   15   17   51   52                                       
CONECT   17   16   18                                                 
CONECT   18   19   17   23   23                                       
CONECT   19   20   20   18   53                                       
CONECT   20   19   19   21   54                                       
CONECT   21   20   24   22   22                                       
CONECT   22   21   21   23   55                                       
CONECT   23   18   18   22   56                                       
CONECT   24   25   21   57                                            
CONECT   25   26   27   27   28                                       
CONECT   25   28   24                                                 
CONECT   26   25   58   59   60                                       
CONECT   27   25   25                                                 
CONECT   28   25   25                                                 
CONECT   29   15   61                                                 
CONECT   30    2                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
