COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       2.451  -3.587   1.026  1.00  0.00           S  
HETATM    2  C   UNL     1       1.603  -2.233   0.291  1.00  0.00           C  
HETATM    3  C   UNL     1       0.252  -2.380   0.505  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.059  -3.522   1.220  1.00  0.00           C  
HETATM    5  C   UNL     1       0.987  -4.271   1.573  1.00  0.00           C  
HETATM    6  C   UNL     1       2.212  -1.165  -0.408  1.00  0.00           C  
HETATM    7  N   UNL     1       3.552  -1.132  -0.553  1.00  0.00           N  
HETATM    8  O   UNL     1       1.526  -0.275  -0.879  1.00  0.00           O  
HETATM    9  S   UNL     1       4.265   0.119  -1.372  1.00  0.00           S  
HETATM   10  S   UNL     1      -0.956  -1.234  -0.072  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.515  -1.957   0.508  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.664  -1.078   0.087  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.286  -1.289  -1.130  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.340  -0.484  -1.517  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.773   0.535  -0.688  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.150   0.747   0.531  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.099  -0.064   0.919  1.00  0.00           C  
HETATM   18 CL   UNL     1      -5.693   2.025   1.573  1.00  0.00          Cl  
HETATM   19 CL   UNL     1      -7.097   1.547  -1.174  1.00  0.00          Cl  
HETATM   20  O   UNL     1       5.666  -0.115  -1.321  1.00  0.00           O  
HETATM   21  O   UNL     1       3.545   0.265  -2.588  1.00  0.00           O  
HETATM   22  C   UNL     1       3.972   1.586  -0.441  1.00  0.00           C  
HETATM   23  C   UNL     1       2.838   2.340  -0.679  1.00  0.00           C  
HETATM   24  C   UNL     1       2.604   3.493   0.049  1.00  0.00           C  
HETATM   25  C   UNL     1       3.503   3.893   1.018  1.00  0.00           C  
HETATM   26  C   UNL     1       4.644   3.138   1.260  1.00  0.00           C  
HETATM   27  C   UNL     1       4.873   1.978   0.530  1.00  0.00           C  
HETATM   28  N   UNL     1       5.555   3.540   2.239  1.00  0.00           N  
HETATM   29  H   UNL     1      -1.074  -3.788   1.475  1.00  0.00           H  
HETATM   30  H   UNL     1       0.917  -5.192   2.134  1.00  0.00           H  
HETATM   31  H   UNL     1       4.098  -1.840  -0.179  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.638  -2.949   0.074  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.497  -2.036   1.595  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.947  -2.084  -1.778  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.825  -0.649  -2.468  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.613   0.101   1.869  1.00  0.00           H  
HETATM   37  H   UNL     1       2.133   2.029  -1.436  1.00  0.00           H  
HETATM   38  H   UNL     1       1.718   4.080  -0.140  1.00  0.00           H  
HETATM   39  H   UNL     1       3.320   4.793   1.586  1.00  0.00           H  
HETATM   40  H   UNL     1       5.756   1.386   0.719  1.00  0.00           H  
HETATM   41  H   UNL     1       5.392   4.348   2.750  1.00  0.00           H  
HETATM   42  H   UNL     1       6.351   3.012   2.407  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    6    3    3                                       
CONECT    3    2    2   10    4                                       
CONECT    4    3    5    5   29                                       
CONECT    5    1    4    4   30                                       
CONECT    6    2    8    8    7                                       
CONECT    7    6    9   31                                            
CONECT    8    6    6                                                 
CONECT    9    7   21   21   22                                       
CONECT    9   20   20                                                 
CONECT   10    3   11                                                 
CONECT   11   10   12   32   33                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   34                                       
CONECT   14   13   15   15   35                                       
CONECT   15   14   14   19   16                                       
CONECT   16   15   18   17   17                                       
CONECT   17   12   16   16   36                                       
CONECT   18   16                                                      
CONECT   19   15                                                      
CONECT   20    9    9                                                 
CONECT   21    9    9                                                 
CONECT   22    9   23   23   27                                       
CONECT   23   22   22   24   37                                       
CONECT   24   23   25   25   38                                       
CONECT   25   24   24   26   39                                       
CONECT   26   25   27   27   28                                       
CONECT   27   22   26   26   40                                       
CONECT   28   26   41   42                                            
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   27                                                      
CONECT   41   28                                                      
CONECT   42   28                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
