COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.545  -0.196   2.673  1.00  0.00           C  
HETATM    2  S   UNL     1      -0.468   0.975   1.945  1.00  0.00           S  
HETATM    3  N   UNL     1       1.526  -0.778   1.955  1.00  0.00           N  
HETATM    4  C   UNL     1       1.639  -0.516   0.584  1.00  0.00           C  
HETATM    5  C   UNL     1       0.503  -0.463  -0.206  1.00  0.00           C  
HETATM    6  C   UNL     1       0.620  -0.196  -1.571  1.00  0.00           C  
HETATM    7  C   UNL     1       1.885   0.003  -2.132  1.00  0.00           C  
HETATM    8 CL   UNL     1       2.040   0.328  -3.830  1.00  0.00          Cl  
HETATM    9  C   UNL     1       3.011  -0.057  -1.334  1.00  0.00           C  
HETATM   10  C   UNL     1       2.892  -0.316   0.017  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.585  -0.132  -2.420  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.802  -0.326  -1.877  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.480   0.095  -3.609  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.989  -0.263  -2.711  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.065  -1.186  -2.138  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.514   1.173  -2.743  1.00  0.00           C  
HETATM   17  O   UNL     1       0.363  -0.536   3.964  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.693   0.090   4.738  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.191  -0.885   5.806  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.150   1.351   5.413  1.00  0.00           C  
HETATM   21  H   UNL     1       2.153  -1.379   2.387  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.470  -0.620   0.233  1.00  0.00           H  
HETATM   23  H   UNL     1       3.987   0.098  -1.769  1.00  0.00           H  
HETATM   24  H   UNL     1       3.777  -0.362   0.635  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.738  -0.580  -3.723  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.956  -1.139  -2.765  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.691  -2.210  -2.116  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.316  -0.868  -1.126  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.764   1.491  -1.731  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.747   1.831  -3.152  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.404   1.221  -3.370  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.517   0.358   4.077  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.984  -0.414   6.387  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.577  -1.783   5.325  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.366  -1.152   6.467  1.00  0.00           H  
HETATM   36  H   UNL     1       0.674   1.084   6.074  1.00  0.00           H  
HETATM   37  H   UNL     1       0.204   2.047   4.652  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.943   1.822   5.994  1.00  0.00           H  
CONECT    1    2    2    3   17                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   21                                            
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6   22                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7                                                      
CONECT    9    7   10   10   23                                       
CONECT   10    4    9    9   24                                       
CONECT   11    6   12   13   13                                       
CONECT   12   11   14                                                 
CONECT   13   11   11                                                 
CONECT   14   12   15   16   25                                       
CONECT   15   14   26   27   28                                       
CONECT   16   14   29   30   31                                       
CONECT   17    1   18                                                 
CONECT   18   17   19   20   32                                       
CONECT   19   18   33   34   35                                       
CONECT   20   18   36   37   38                                       
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
CONECT   32   18                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
