COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.160   0.832  -1.057  1.00  0.00           C  
HETATM    2  C   UNL     1       7.268   0.673  -1.865  1.00  0.00           C  
HETATM    3  C   UNL     1       8.252  -0.788  -0.239  1.00  0.00           C  
HETATM    4  C   UNL     1       7.143  -0.637   0.572  1.00  0.00           C  
HETATM    5  C   UNL     1       6.095   0.179   0.167  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.077   1.094  -0.960  1.00  0.00           C  
HETATM    7  C   UNL     1       1.438   0.962   0.670  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.395   1.591  -0.070  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.916   1.333   0.050  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.153   0.265   0.010  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.083  -1.027  -0.241  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.306   0.271  -0.376  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.900  -2.798   0.132  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.486  -0.541  -0.061  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.737  -1.405  -0.119  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.867  -0.314  -0.170  1.00  0.00           C  
HETATM   17 CL   UNL     1       9.563  -1.808   0.265  1.00  0.00          Cl  
HETATM   18  C   UNL     1       8.313  -0.135  -1.458  1.00  0.00           C  
HETATM   19  N   UNL     1       4.976   0.343   0.991  1.00  0.00           N  
HETATM   20  C   UNL     1       3.756   0.518   0.445  1.00  0.00           C  
HETATM   21  O   UNL     1       3.613   0.436  -0.760  1.00  0.00           O  
HETATM   22  N   UNL     1       2.696   0.783   1.233  1.00  0.00           N  
HETATM   23  N   UNL     1       1.177   0.896  -0.598  1.00  0.00           N  
HETATM   24  S   UNL     1       0.009   1.292   1.548  1.00  0.00           S  
HETATM   25  N   UNL     1      -4.592   0.516  -0.106  1.00  0.00           N  
HETATM   26  N   UNL     1      -5.051  -1.787   0.088  1.00  0.00           N  
HETATM   27  N   UNL     1      -7.195  -2.636   0.034  1.00  0.00           N  
HETATM   28  S   UNL     1      -7.795   1.166  -0.362  1.00  0.00           S  
HETATM   29  H   UNL     1       5.346   1.467  -1.374  1.00  0.00           H  
HETATM   30  H   UNL     1       7.318   1.181  -2.817  1.00  0.00           H  
HETATM   31  H   UNL     1       7.091  -1.154   1.519  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.400   1.060  -1.991  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.717   2.243   0.742  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.604   2.071  -1.026  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.831  -0.388  -0.802  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.945  -0.216   0.966  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.886  -1.748  -0.222  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.283   0.718  -0.481  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.510  -3.798   0.254  1.00  0.00           H  
HETATM   40  H   UNL     1       9.178  -0.258  -2.092  1.00  0.00           H  
HETATM   41  H   UNL     1       5.078   0.331   1.956  1.00  0.00           H  
HETATM   42  H   UNL     1       2.811   0.848   2.194  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.918   1.423  -0.216  1.00  0.00           H  
CONECT    1    2    2    5   29                                       
CONECT    2    1    1   18   30                                       
CONECT    3   18   18   17    4                                       
CONECT    4    3    5    5   31                                       
CONECT    5    1    4    4   19                                       
CONECT    6    9    9   23   32                                       
CONECT    7   24   22   23   23                                       
CONECT    8   10    9   33   34                                       
CONECT    9    6    6    8   24                                       
CONECT   10    8   25   35   36                                       
CONECT   11   12   12   15   37                                       
CONECT   12   11   11   28   38                                       
CONECT   13   27   27   26   39                                       
CONECT   14   16   25   26   26                                       
CONECT   15   11   16   16   27                                       
CONECT   16   14   15   15   28                                       
CONECT   17    3                                                      
CONECT   18    2    3    3   40                                       
CONECT   19    5   20   41                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22    7   20   42                                            
CONECT   23    6    7    7                                            
CONECT   24    7    9                                                 
CONECT   25   10   14   43                                            
CONECT   26   13   14   14                                            
CONECT   27   13   13   15                                            
CONECT   28   12   16                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
