COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.072  -0.536  -0.727  1.00  0.00           C  
HETATM    2  O   UNL     1       0.161   4.162  -0.054  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.244   3.018   0.047  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.528   2.730   0.173  1.00  0.00           N  
HETATM    5  C   UNL     1       0.659   1.862   0.032  1.00  0.00           C  
HETATM    6  S   UNL     1      -0.412   0.459   0.207  1.00  0.00           S  
HETATM    7  C   UNL     1      -1.901   1.418   0.281  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.124   0.959   0.414  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.342  -0.389   0.511  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.477  -1.188   1.262  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.703  -2.546   1.355  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.435  -0.972  -0.137  1.00  0.00           C  
HETATM   13 CL   UNL     1      -5.521   0.011  -1.068  1.00  0.00          Cl  
HETATM   14  C   UNL     1      -4.649  -2.332  -0.035  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.783  -3.117   0.707  1.00  0.00           C  
HETATM   16  C   UNL     1       2.011   1.866  -0.089  1.00  0.00           C  
HETATM   17  C   UNL     1       2.737   0.599  -0.247  1.00  0.00           C  
HETATM   18  C   UNL     1       2.755  -1.724  -0.869  1.00  0.00           C  
HETATM   19  C   UNL     1       4.102  -1.799  -0.542  1.00  0.00           C  
HETATM   20  O   UNL     1       4.769  -2.974  -0.685  1.00  0.00           O  
HETATM   21  C   UNL     1       4.773  -0.672  -0.069  1.00  0.00           C  
HETATM   22  C   UNL     1       4.096   0.523   0.082  1.00  0.00           C  
HETATM   23  O   UNL     1       6.092  -0.750   0.249  1.00  0.00           O  
HETATM   24  C   UNL     1       6.716   0.444   0.728  1.00  0.00           C  
HETATM   25  H   UNL     1       1.024  -0.481  -0.982  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.633  -0.743   1.768  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.034  -3.164   1.936  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.492  -2.784  -0.534  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.954  -4.181   0.783  1.00  0.00           H  
HETATM   30  H   UNL     1       2.552   2.800  -0.069  1.00  0.00           H  
HETATM   31  H   UNL     1       2.240  -2.601  -1.234  1.00  0.00           H  
HETATM   32  H   UNL     1       5.175  -3.092  -1.554  1.00  0.00           H  
HETATM   33  H   UNL     1       4.614   1.396   0.448  1.00  0.00           H  
HETATM   34  H   UNL     1       6.644   1.221  -0.033  1.00  0.00           H  
HETATM   35  H   UNL     1       6.214   0.776   1.637  1.00  0.00           H  
HETATM   36  H   UNL     1       7.765   0.244   0.944  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.194   3.435   0.189  1.00  0.00           H  
CONECT    1   18   18   17   25                                       
CONECT    2    3    3                                                 
CONECT    3    5    4    2    2                                       
CONECT    4    7    3   37                                            
CONECT    5    6   16   16    3                                       
CONECT    6    7    5                                                 
CONECT    7    8    8    6    4                                       
CONECT    8    9    7    7                                            
CONECT    9   10   10   12    8                                       
CONECT   10   11    9    9   26                                       
CONECT   11   15   15   10   27                                       
CONECT   12   14   14    9   13                                       
CONECT   13   12                                                      
CONECT   14   15   12   12   28                                       
CONECT   15   11   11   14   29                                       
CONECT   16   17    5    5   30                                       
CONECT   17   22   22    1   16                                       
CONECT   18   19    1    1   31                                       
CONECT   19   20   21   21   18                                       
CONECT   20   19   32                                                 
CONECT   21   23   19   19   22                                       
CONECT   22   21   17   17   33                                       
CONECT   23   24   21                                                 
CONECT   24   23   34   35   36                                       
CONECT   25    1                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   18                                                      
CONECT   32   20                                                      
CONECT   33   22                                                      
CONECT   34   24                                                      
CONECT   35   24                                                      
CONECT   36   24                                                      
CONECT   37    4                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
