COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.264  -0.209  -0.970  1.00  0.00           C  
HETATM    2  C   UNL     1       1.543  -1.202  -1.547  1.00  0.00           C  
HETATM    3  C   UNL     1       1.777  -2.548  -1.193  1.00  0.00           C  
HETATM    4  C   UNL     1       4.435  -2.275   1.282  1.00  0.00           C  
HETATM    5  C   UNL     1       5.194  -1.293   1.881  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.419   0.546   0.482  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.794  -0.067  -0.715  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.028  -0.675  -0.818  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.894  -0.677   0.263  1.00  0.00           C  
HETATM   10 CL   UNL     1      -6.445  -1.445   0.126  1.00  0.00          Cl  
HETATM   11  O   UNL     1      -0.178   3.787  -0.913  1.00  0.00           O  
HETATM   12  O   UNL     1       1.117  -3.425  -1.724  1.00  0.00           O  
HETATM   13  OXT UNL     1       1.981   4.134  -0.591  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.778   1.742   1.638  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.255   1.208  -0.453  1.00  0.00           N  
HETATM   16  N   UNL     1       2.709  -2.887  -0.285  1.00  0.00           N  
HETATM   17  C   UNL     1       2.024   1.232  -1.340  1.00  0.00           C  
HETATM   18  CA  UNL     1       1.051   1.860  -0.340  1.00  0.00           C  
HETATM   19  C   UNL     1       3.277  -0.567   0.024  1.00  0.00           C  
HETATM   20  C   UNL     1       3.475  -1.925   0.338  1.00  0.00           C  
HETATM   21  C   UNL     1       4.051   0.413   0.654  1.00  0.00           C  
HETATM   22  C   UNL     1       0.906   3.331  -0.636  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.100   1.204   0.597  1.00  0.00           C  
HETATM   24  C   UNL     1       4.996   0.045   1.569  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.296   0.540   1.568  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.527  -0.071   1.453  1.00  0.00           C  
HETATM   27  H   UNL     1       0.787  -0.961  -2.280  1.00  0.00           H  
HETATM   28  H   UNL     1       4.597  -3.313   1.531  1.00  0.00           H  
HETATM   29  H   UNL     1       5.939  -1.567   2.614  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.119  -0.066  -1.559  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.319  -1.149  -1.743  1.00  0.00           H  
HETATM   32  HXT UNL     1       1.838   5.070  -0.788  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.512   0.779  -1.285  1.00  0.00           H  
HETATM   34  H   UNL     1       2.844  -3.822  -0.065  1.00  0.00           H  
HETATM   35  H   UNL     1       2.969   1.776  -1.318  1.00  0.00           H  
HETATM   36  H   UNL     1       1.598   1.284  -2.342  1.00  0.00           H  
HETATM   37  HA  UNL     1       1.436   1.730   0.672  1.00  0.00           H  
HETATM   38  H   UNL     1       3.903   1.456   0.417  1.00  0.00           H  
HETATM   39  H   UNL     1       5.600   0.801   2.049  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.011   1.013   2.496  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.207  -0.076   2.292  1.00  0.00           H  
CONECT    1   19   17    2    2                                       
CONECT    2    1    1    3   27                                       
CONECT    3   16    2   12   12                                       
CONECT    4    5    5   20   28                                       
CONECT    5   24    4    4   29                                       
CONECT    6   23    7    7   25                                       
CONECT    7    6    6    8   30                                       
CONECT    8    7    9    9   31                                       
CONECT    9    8    8   26   10                                       
CONECT   10    9                                                      
CONECT   11   22   22                                                 
CONECT   12    3    3                                                 
CONECT   13   22   32                                                 
CONECT   14   23   23                                                 
CONECT   15   23   18   33                                            
CONECT   16   20    3   34                                            
CONECT   17   18    1   35   36                                       
CONECT   18   22   15   17   37                                       
CONECT   19   21   20   20    1                                       
CONECT   20    4   19   19   16                                       
CONECT   21   24   24   19   38                                       
CONECT   22   11   11   18   13                                       
CONECT   23   14   14   15    6                                       
CONECT   24    5   21   21   39                                       
CONECT   25    6   26   26   40                                       
CONECT   26   25   25    9   41                                       
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   21                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
