COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.032  -2.903  -0.553  1.00  0.00           C  
HETATM    2  C   UNL     1       5.498  -1.494  -0.575  1.00  0.00           C  
HETATM    3  O   UNL     1       6.174  -0.595  -1.028  1.00  0.00           O  
HETATM    4  C   UNL     1       4.154  -1.209  -0.046  1.00  0.00           C  
HETATM    5  C   UNL     1       3.653   0.096  -0.069  1.00  0.00           C  
HETATM    6  C   UNL     1       3.371  -2.243   0.477  1.00  0.00           C  
HETATM    7  C   UNL     1       2.112  -1.971   0.972  1.00  0.00           C  
HETATM    8  C   UNL     1       1.620  -0.679   0.952  1.00  0.00           C  
HETATM    9  C   UNL     1       2.388   0.355   0.430  1.00  0.00           C  
HETATM   10  N   UNL     1       1.880   1.663   0.409  1.00  0.00           N  
HETATM   11  N   UNL     1       2.553   2.846   0.762  1.00  0.00           N  
HETATM   12  N   UNL     1       1.717   3.812   0.588  1.00  0.00           N  
HETATM   13  N   UNL     1       0.594   3.356   0.165  1.00  0.00           N  
HETATM   14  C   UNL     1       0.642   2.056   0.039  1.00  0.00           C  
HETATM   15  H   UNL     1       5.289  -3.567  -0.113  1.00  0.00           H  
HETATM   16  H   UNL     1       6.250  -3.224  -1.572  1.00  0.00           H  
HETATM   17  H   UNL     1       6.946  -2.936   0.041  1.00  0.00           H  
HETATM   18  H   UNL     1       4.250   0.899  -0.475  1.00  0.00           H  
HETATM   19  H   UNL     1       3.752  -3.253   0.494  1.00  0.00           H  
HETATM   20  H   UNL     1       1.509  -2.771   1.375  1.00  0.00           H  
HETATM   21  H   UNL     1       0.633  -0.474   1.340  1.00  0.00           H  
HETATM   22  S   UNL     1      -0.664   1.011  -0.516  1.00  0.00           S  
HETATM   23  C   UNL     1      -1.608   0.630   0.985  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.687  -0.371   0.659  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.426  -1.725   0.757  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.415  -2.643   0.458  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.666  -2.208   0.061  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.927  -0.853  -0.037  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.938   0.066   0.267  1.00  0.00           C  
HETATM   30 CL   UNL     1      -6.497  -0.305  -0.536  1.00  0.00          Cl  
HETATM   31  O   UNL     1      -1.425   1.835  -1.388  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.002  -0.151  -0.998  1.00  0.00           O  
HETATM   33  H   UNL     1      -0.940   0.211   1.738  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.063   1.542   1.370  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.449  -2.066   1.067  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.211  -3.701   0.535  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.438  -2.925  -0.173  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.142   1.124   0.191  1.00  0.00           H  
CONECT    1    2   15   16   17                                       
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    5    2    6    6                                       
CONECT    5    9    9    4   18                                       
CONECT    6    4    4    7   19                                       
CONECT    7    8    8    6   20                                       
CONECT    8    9    7    7   21                                       
CONECT    9   10    5    5    8                                       
CONECT   10   11   14    9                                            
CONECT   11   12   12   10                                            
CONECT   12   11   11   13                                            
CONECT   13   12   14   14                                            
CONECT   14   13   13   10   22                                       
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    8                                                      
CONECT   22   14   23   31   31                                       
CONECT   22   32   32                                                 
CONECT   23   22   24   33   34                                       
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   26   35                                       
CONECT   26   25   25   27   36                                       
CONECT   27   26   28   28   37                                       
CONECT   28   27   27   29   30                                       
CONECT   29   28   24   24   38                                       
CONECT   30   28                                                      
CONECT   31   22   22                                                 
CONECT   32   22   22                                                 
CONECT   33   23                                                      
CONECT   34   23                                                      
CONECT   35   25                                                      
CONECT   36   26                                                      
CONECT   37   27                                                      
CONECT   38   29                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
