COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       4.424   0.098   0.305  1.00  0.00           C  
HETATM    2  C   UNL     1       3.464  -0.453  -0.752  1.00  0.00           C  
HETATM    3  C   UNL     1       2.043  -0.215  -0.313  1.00  0.00           C  
HETATM    4  C   UNL     1       1.396   0.954  -0.667  1.00  0.00           C  
HETATM    5  C   UNL     1       0.091   1.171  -0.264  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.675   0.560   1.103  1.00  0.00           O  
HETATM    7  O   UNL     1       6.544   0.580  -0.604  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.183  -0.508  -0.939  1.00  0.00           C  
HETATM    9  C   UNL     1       0.080  -0.951   0.844  1.00  0.00           C  
HETATM   10  C   UNL     1       1.384  -1.169   0.440  1.00  0.00           C  
HETATM   11  C   UNL     1       5.841  -0.248  -0.074  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.566   0.220   0.493  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.987   0.458   0.933  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.238   0.033   0.102  1.00  0.00           C  
HETATM   15  N   UNL     1       4.280   1.558   0.384  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.906  -0.068  -0.079  1.00  0.00           N  
HETATM   17  HA  UNL     1       4.189  -0.344   1.273  1.00  0.00           H  
HETATM   18  H   UNL     1       3.641   0.054  -1.702  1.00  0.00           H  
HETATM   19  H   UNL     1       3.633  -1.523  -0.874  1.00  0.00           H  
HETATM   20  H   UNL     1       1.909   1.697  -1.259  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.414   2.085  -0.541  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.434  -1.694   1.436  1.00  0.00           H  
HETATM   23  H   UNL     1       1.888  -2.084   0.713  1.00  0.00           H  
HETATM   24  H1  UNL     1       4.493   1.990  -0.502  1.00  0.00           H  
HETATM   25  H2  UNL     1       3.356   1.813   0.699  1.00  0.00           H  
HETATM   26 CL   UNL     1      -6.884  -0.224  -0.413  1.00  0.00          Cl  
HETATM   27  OXT UNL     1       6.322  -1.475   0.176  1.00  0.00           O  
HETATM   28  HXT UNL     1       7.237  -1.650  -0.085  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.007  -0.001  -1.888  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.015  -1.578  -1.062  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.163  -0.049   1.882  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.156   1.528   1.056  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.556  -0.490  -0.879  1.00  0.00           H  
CONECT    1   15   11    2   17                                       
CONECT    2    1    3   18   19                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   20                                       
CONECT    5    4   12   12   21                                       
CONECT    6   14   14                                                 
CONECT    7   11   11                                                 
CONECT    8   14   26   29   30                                       
CONECT    9   10   10   12   22                                       
CONECT   10    3    9    9   23                                       
CONECT   11    7    7    1   27                                       
CONECT   12    5    5    9   13                                       
CONECT   13   12   16   31   32                                       
CONECT   14    6    6    8   16                                       
CONECT   15    1   24   25                                            
CONECT   16   14   13   33                                            
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   15                                                      
CONECT   25   15                                                      
CONECT   26    8                                                      
CONECT   27   11   28                                                 
CONECT   28   27                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
