COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.927  -0.182  -0.027  1.00  0.00           C  
HETATM    2  N   UNL     1       1.797   0.777  -0.404  1.00  0.00           N  
HETATM    3  C   UNL     1       3.174   0.580  -0.233  1.00  0.00           C  
HETATM    4  O   UNL     1       1.339  -1.246   0.385  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.556   0.072  -0.111  1.00  0.00           C  
HETATM    6  S   UNL     1      -1.451  -1.391   0.469  1.00  0.00           S  
HETATM    7  C   UNL     1      -3.111  -0.833   0.267  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.166  -1.676   0.613  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.453  -1.240   0.456  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.665   0.051  -0.053  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.561   0.842  -0.378  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.339   0.386  -0.206  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.034   0.565  -0.241  1.00  0.00           C  
HETATM   14  O   UNL     1      -7.988  -0.130   0.045  1.00  0.00           O  
HETATM   15  O   UNL     1      -7.226   1.806  -0.729  1.00  0.00           O  
HETATM   16  C   UNL     1       3.718  -0.687  -0.382  1.00  0.00           C  
HETATM   17  C   UNL     1       5.078  -0.878  -0.213  1.00  0.00           C  
HETATM   18  C   UNL     1       5.896   0.191   0.104  1.00  0.00           C  
HETATM   19  C   UNL     1       5.359   1.456   0.254  1.00  0.00           C  
HETATM   20  C   UNL     1       4.000   1.657   0.081  1.00  0.00           C  
HETATM   21  O   UNL     1       3.471   2.902   0.223  1.00  0.00           O  
HETATM   22 CL   UNL     1       5.759  -2.465  -0.399  1.00  0.00          Cl  
HETATM   23  C   UNL     1       4.378   3.959   0.546  1.00  0.00           C  
HETATM   24  H   UNL     1       1.470   1.603  -0.793  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.814   0.927   0.513  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.831   0.280  -1.145  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.969  -2.665   1.002  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.287  -1.875   0.716  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.711   1.837  -0.771  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.142   2.099  -0.835  1.00  0.00           H  
HETATM   31  H   UNL     1       3.082  -1.523  -0.629  1.00  0.00           H  
HETATM   32  H   UNL     1       6.957   0.037   0.235  1.00  0.00           H  
HETATM   33  H   UNL     1       6.000   2.289   0.502  1.00  0.00           H  
HETATM   34  H   UNL     1       4.869   3.739   1.494  1.00  0.00           H  
HETATM   35  H   UNL     1       5.127   4.047  -0.241  1.00  0.00           H  
HETATM   36  H   UNL     1       3.828   4.896   0.630  1.00  0.00           H  
CONECT    1    5    4    4    2                                       
CONECT    2    1    3   24                                            
CONECT    3    2   16   16   20                                       
CONECT    4    1    1                                                 
CONECT    5    6    1   25   26                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   27                                       
CONECT    9    8   10   10   28                                       
CONECT   10    9    9   11   13                                       
CONECT   11   12   12   10   29                                       
CONECT   12    7   11   11                                            
CONECT   13   10   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   30                                                 
CONECT   16    3    3   17   31                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   32                                       
CONECT   19   20   20   18   33                                       
CONECT   20    3   21   19   19                                       
CONECT   21   20   23                                                 
CONECT   22   17                                                      
CONECT   23   21   34   35   36                                       
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   11                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   23                                                      
CONECT   35   23                                                      
CONECT   36   23                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
