COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.287   0.451   0.108  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.753   1.368   0.145  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.072   0.927   0.080  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.412   1.403  -0.058  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.565  -0.832   0.020  1.00  0.00           C  
HETATM    6  C   UNL     1       5.765   1.405  -0.091  1.00  0.00           C  
HETATM    7  C   UNL     1       6.575   0.278  -0.119  1.00  0.00           C  
HETATM    8  C   UNL     1       5.994  -0.975  -0.097  1.00  0.00           C  
HETATM    9  N   UNL     1       4.684  -1.114  -0.049  1.00  0.00           N  
HETATM   10  C   UNL     1       3.875  -0.062  -0.021  1.00  0.00           C  
HETATM   11  C   UNL     1       4.394   1.232  -0.036  1.00  0.00           C  
HETATM   12  C   UNL     1       2.408  -0.266   0.032  1.00  0.00           C  
HETATM   13  C   UNL     1       1.850  -1.490   0.051  1.00  0.00           C  
HETATM   14  S   UNL     1       0.100  -1.299   0.108  1.00  0.00           S  
HETATM   15  N   UNL     1       1.547   0.751   0.062  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.106   1.854   0.005  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.641   0.032  -0.045  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.330  -0.372   0.085  1.00  0.00           N  
HETATM   19 CL   UNL     1      -6.260  -0.587  -0.130  1.00  0.00          Cl  
HETATM   20  H   UNL     1      -0.562   2.316   0.216  1.00  0.00           H  
HETATM   21  H   UNL     1      -5.235   2.100  -0.117  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.738  -1.898   0.031  1.00  0.00           H  
HETATM   23  H   UNL     1       6.196   2.395  -0.108  1.00  0.00           H  
HETATM   24  H   UNL     1       7.649   0.380  -0.159  1.00  0.00           H  
HETATM   25  H   UNL     1       6.622  -1.854  -0.119  1.00  0.00           H  
HETATM   26  H   UNL     1       3.734   2.087  -0.013  1.00  0.00           H  
HETATM   27  H   UNL     1       2.384  -2.428   0.031  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.892   2.913  -0.002  1.00  0.00           H  
CONECT    1   14    2   15   15                                       
CONECT    2    3    1   20                                            
CONECT    3   18   18   16    2                                       
CONECT    4   17   16   16   21                                       
CONECT    5   17   17   18   22                                       
CONECT    6   11   11    7   23                                       
CONECT    7    6    8    8   24                                       
CONECT    8    7    7    9   25                                       
CONECT    9   10   10    8                                            
CONECT   10   11   12    9    9                                       
CONECT   11    6    6   10   26                                       
CONECT   12   13   13   15   10                                       
CONECT   13   14   12   12   27                                       
CONECT   14   13    1                                                 
CONECT   15    1    1   12                                            
CONECT   16    4    4    3   28                                       
CONECT   17   19    5    5    4                                       
CONECT   18    5    3    3                                            
CONECT   19   17                                                      
CONECT   20    2                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
CONECT   28   16                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
