COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.273  -0.988  -0.214  1.00  0.00           N  
HETATM    2  C   UNL     1       1.089   0.530  -0.334  1.00  0.00           C  
HETATM    3  C   UNL     1       2.449  -0.100  -0.643  1.00  0.00           C  
HETATM    4  C   UNL     1       3.553   0.972  -0.562  1.00  0.00           C  
HETATM    5  C   UNL     1       4.524   0.435   0.518  1.00  0.00           C  
HETATM    6  C   UNL     1       4.186  -1.078   0.535  1.00  0.00           C  
HETATM    7  N   UNL     1       0.046  -0.496  -0.413  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.720  -1.338   0.031  1.00  0.00           C  
HETATM    9  O   UNL     1       2.756  -1.105   0.337  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.471  -0.494   0.045  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.486   0.810   0.321  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.276  -0.160  -0.170  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.831   1.407   0.231  1.00  0.00           S  
HETATM   14  H   UNL     1       1.106   0.954   0.670  1.00  0.00           H  
HETATM   15  H   UNL     1       0.880   1.317  -1.058  1.00  0.00           H  
HETATM   16  H   UNL     1       2.434  -0.542  -1.639  1.00  0.00           H  
HETATM   17  H   UNL     1       4.063   1.067  -1.520  1.00  0.00           H  
HETATM   18  H   UNL     1       3.134   1.930  -0.255  1.00  0.00           H  
HETATM   19  H   UNL     1       5.561   0.598   0.224  1.00  0.00           H  
HETATM   20  H   UNL     1       4.320   0.890   1.486  1.00  0.00           H  
HETATM   21  H   UNL     1       4.696  -1.595  -0.278  1.00  0.00           H  
HETATM   22  H   UNL     1       4.449  -1.519   1.497  1.00  0.00           H  
HETATM   23  H   UNL     1       0.281  -1.410  -0.636  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.891  -1.750   1.026  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.571  -0.722  -0.258  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.601  -2.152  -0.684  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.360   1.398   0.557  1.00  0.00           H  
CONECT    1   12   12   10                                            
CONECT    2    7    3   14   15                                       
CONECT    3    2    4    9   16                                       
CONECT    4    3    5   17   18                                       
CONECT    5    4    6   19   20                                       
CONECT    6    5    9   21   22                                       
CONECT    7   12    2   23                                            
CONECT    8   10   24   25   26                                       
CONECT    9    6    3                                                 
CONECT   10    8   11   11    1                                       
CONECT   11   10   10   13   27                                       
CONECT   12   13    7    1    1                                       
CONECT   13   11   12                                                 
CONECT   14    2                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27   11                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
