COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.138  -0.818   0.242  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.101   0.238   0.092  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.759   1.437  -0.227  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.162   1.426  -0.301  1.00  0.00           C  
HETATM    5  C   UNL     1       0.369   1.853  -0.211  1.00  0.00           C  
HETATM    6 CL   UNL     1      -4.034  -2.274   0.545  1.00  0.00          Cl  
HETATM    7  N   UNL     1      -1.824  -0.855   0.316  1.00  0.00           N  
HETATM    8  N   UNL     1       0.239   0.530   0.095  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.804   2.382  -0.405  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.865   2.577  -0.611  1.00  0.00           N  
HETATM   11  N   UNL     1      -3.800   0.285  -0.060  1.00  0.00           N  
HETATM   12  C1* UNL     1       1.330  -0.406   0.376  1.00  0.00           C  
HETATM   13  C2* UNL     1       1.712  -1.166  -0.909  1.00  0.00           C  
HETATM   14  C3* UNL     1       3.211  -0.836  -1.114  1.00  0.00           C  
HETATM   15  O3* UNL     1       3.935  -1.993  -1.537  1.00  0.00           O  
HETATM   16  C4* UNL     1       3.645  -0.401   0.309  1.00  0.00           C  
HETATM   17  O4* UNL     1       2.495   0.317   0.808  1.00  0.00           O  
HETATM   18  C5* UNL     1       4.866   0.518   0.243  1.00  0.00           C  
HETATM   19  O5* UNL     1       5.316   0.809   1.567  1.00  0.00           O  
HETATM   20  H   UNL     1       1.308   2.382  -0.285  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.388   3.405  -0.780  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.833   2.557  -0.658  1.00  0.00           H  
HETATM   23  H1* UNL     1       1.023  -1.113   1.147  1.00  0.00           H  
HETATM   24 H2*1 UNL     1       1.573  -2.239  -0.774  1.00  0.00           H  
HETATM   25 H2*2 UNL     1       1.124  -0.808  -1.754  1.00  0.00           H  
HETATM   26  H3* UNL     1       3.336  -0.019  -1.826  1.00  0.00           H  
HETATM   27  H3* UNL     1       3.637  -2.356  -2.382  1.00  0.00           H  
HETATM   28  H4* UNL     1       3.852  -1.273   0.930  1.00  0.00           H  
HETATM   29 H5*1 UNL     1       5.664   0.023  -0.311  1.00  0.00           H  
HETATM   30 H5*2 UNL     1       4.596   1.446  -0.262  1.00  0.00           H  
HETATM   31  H5* UNL     1       6.089   1.389   1.602  1.00  0.00           H  
CONECT    1    6    7    7   11                                       
CONECT    2    3    3    7    8                                       
CONECT    3    2    2    4    9                                       
CONECT    4    3   10   11   11                                       
CONECT    5    8    9    9   20                                       
CONECT    6    1                                                      
CONECT    7    1    1    2                                            
CONECT    8    2    5   12                                            
CONECT    9    3    5    5                                            
CONECT   10    4   21   22                                            
CONECT   11    1    4    4                                            
CONECT   12    8   13   17   23                                       
CONECT   13   12   14   24   25                                       
CONECT   14   13   15   16   26                                       
CONECT   15   14   27                                                 
CONECT   16   14   17   18   28                                       
CONECT   17   12   16                                                 
CONECT   18   16   19   29   30                                       
CONECT   19   18   31                                                 
CONECT   20    5                                                      
CONECT   21   10                                                      
CONECT   22   10                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
CONECT   29   18                                                      
CONECT   30   18                                                      
CONECT   31   19                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
