COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.148  -1.817  -0.024  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.077  -1.231  -0.017  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.029   0.174  -0.019  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.812   0.792  -0.012  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.734   2.297  -0.013  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.979   2.767  -1.258  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.148   2.882  -0.024  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.996   2.771   1.240  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.695   0.069  -0.003  1.00  0.00           N  
HETATM   10  N   UNL     1      -4.917  -1.921  -0.002  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.732  -1.249  -0.001  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.222  -2.157   0.018  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.034  -0.791   0.013  1.00  0.00           C  
HETATM   14  C   UNL     1       0.368  -1.345   0.027  1.00  0.00           C  
HETATM   15  O   UNL     1       0.546  -2.544   0.040  1.00  0.00           O  
HETATM   16  C   UNL     1       1.520  -0.430   0.026  1.00  0.00           C  
HETATM   17  C   UNL     1       1.318   0.954   0.011  1.00  0.00           C  
HETATM   18  C   UNL     1       2.402   1.805   0.011  1.00  0.00           C  
HETATM   19  C   UNL     1       3.689   1.293   0.024  1.00  0.00           C  
HETATM   20 CL   UNL     1       5.049   2.372   0.023  1.00  0.00          Cl  
HETATM   21  C   UNL     1       2.822  -0.940   0.046  1.00  0.00           C  
HETATM   22  C   UNL     1       3.897  -0.077   0.040  1.00  0.00           C  
HETATM   23  S   UNL     1       5.538  -0.717   0.064  1.00  0.00           S  
HETATM   24  O   UNL     1       6.232  -0.004   1.079  1.00  0.00           O  
HETATM   25  O   UNL     1       5.417  -2.133   0.053  1.00  0.00           O  
HETATM   26  N   UNL     1       6.249  -0.297  -1.371  1.00  0.00           N  
HETATM   27  H   UNL     1      -6.940   0.754  -0.027  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.505   2.430  -2.151  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.922   3.856  -1.259  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.971   2.351  -1.251  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.686   2.547   0.863  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.091   3.970  -0.025  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.674   2.544  -0.917  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.988   2.355   1.248  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.939   3.859   1.239  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.534   2.436   2.127  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.926  -2.891  -0.001  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.177  -0.189  -0.884  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.189  -0.171   0.896  1.00  0.00           H  
HETATM   40  H   UNL     1       0.315   1.355   0.000  1.00  0.00           H  
HETATM   41  H   UNL     1       2.247   2.874  -0.001  1.00  0.00           H  
HETATM   42  H   UNL     1       2.985  -2.007   0.062  1.00  0.00           H  
HETATM   43  H   UNL     1       5.750   0.212  -2.029  1.00  0.00           H  
HETATM   44  H   UNL     1       7.165  -0.559  -1.554  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   10    1    1    3                                       
CONECT    3    2    4    4   27                                       
CONECT    4    9    3    3    5                                       
CONECT    5    6    4    7    8                                       
CONECT    6    5   28   29   30                                       
CONECT    7    5   31   32   33                                       
CONECT    8    5   34   35   36                                       
CONECT    9   11   11    4                                            
CONECT   10   11    2   37                                            
CONECT   11   12   10    9    9                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   38   39                                       
CONECT   14   15   15   13   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   21   21                                       
CONECT   17   16   18   18   40                                       
CONECT   18   17   17   19   41                                       
CONECT   19   18   22   22   20                                       
CONECT   20   19                                                      
CONECT   21   16   16   22   42                                       
CONECT   22   21   19   19   23                                       
CONECT   23   22   26   25   25                                       
CONECT   23   24   24                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   43   44                                            
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
