COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.881   0.694  -0.301  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.483   2.022  -0.096  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.157   2.289   0.256  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.610  -1.016   0.380  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.604  -1.884   0.821  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.199  -3.057   0.569  1.00  0.00           C  
HETATM    7  C   UNL     1       0.852  -1.790   1.198  1.00  0.00           C  
HETATM    8  C   UNL     1       1.558  -0.859   0.247  1.00  0.00           C  
HETATM    9  CA  UNL     1       3.564   0.284  -0.533  1.00  0.00           C  
HETATM   10  C   UNL     1       3.984  -0.478  -1.763  1.00  0.00           C  
HETATM   11  OXT UNL     1       4.635   0.152  -2.753  1.00  0.00           O  
HETATM   12  C   UNL     1       4.782   0.861   0.141  1.00  0.00           C  
HETATM   13  C   UNL     1       5.573   0.060   0.944  1.00  0.00           C  
HETATM   14  C   UNL     1       6.690   0.590   1.562  1.00  0.00           C  
HETATM   15  C   UNL     1       7.017   1.920   1.377  1.00  0.00           C  
HETATM   16  C   UNL     1       5.112   2.190  -0.048  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.423   3.092  -0.247  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.288   1.313   0.396  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.626   0.041   0.210  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.938  -0.308  -0.140  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.365  -0.822   0.711  1.00  0.00           N  
HETATM   22  S   UNL     1      -2.888  -2.743   0.173  1.00  0.00           S  
HETATM   23  N   UNL     1       2.877  -0.621   0.392  1.00  0.00           N  
HETATM   24  O   UNL     1       3.736  -1.657  -1.857  1.00  0.00           O  
HETATM   25  C   UNL     1       6.226   2.721   0.574  1.00  0.00           C  
HETATM   26  O   UNL     1       0.941  -0.325  -0.649  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.278  -1.610  -0.322  1.00  0.00           O  
HETATM   28  N   UNL     1      -7.169   3.941  -0.366  1.00  0.00           N  
HETATM   29  H   UNL     1      -6.899   0.457  -0.574  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.843   3.310   0.416  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.729  -4.028   0.611  1.00  0.00           H  
HETATM   32  H   UNL     1       0.940  -1.407   2.215  1.00  0.00           H  
HETATM   33  H   UNL     1       1.306  -2.780   1.143  1.00  0.00           H  
HETATM   34  HA  UNL     1       2.890   1.092  -0.818  1.00  0.00           H  
HETATM   35  HXT UNL     1       4.884  -0.379  -3.522  1.00  0.00           H  
HETATM   36  H   UNL     1       5.317  -0.979   1.088  1.00  0.00           H  
HETATM   37  H   UNL     1       7.307  -0.036   2.189  1.00  0.00           H  
HETATM   38  H   UNL     1       7.890   2.334   1.860  1.00  0.00           H  
HETATM   39  H   UNL     1       4.497   2.815  -0.678  1.00  0.00           H  
HETATM   40  H   UNL     1       3.371  -1.049   1.109  1.00  0.00           H  
HETATM   41  H   UNL     1       6.484   3.760   0.427  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.587  -2.052   0.480  1.00  0.00           H  
CONECT    1   20   20    2   29                                       
CONECT    2    3    3    1   17                                       
CONECT    3   18    2    2   30                                       
CONECT    4   21   21   22   19                                       
CONECT    5    7   21    6    6                                       
CONECT    6    5    5   22   31                                       
CONECT    7    8    5   32   33                                       
CONECT    8   23   26   26    7                                       
CONECT    9   10   23   12   34                                       
CONECT   10   24   24   11    9                                       
CONECT   11   10   35                                                 
CONECT   12    9   16   16   13                                       
CONECT   13   12   14   14   36                                       
CONECT   14   13   13   15   37                                       
CONECT   15   25   25   14   38                                       
CONECT   16   12   12   25   39                                       
CONECT   17    2   28   28   28                                       
CONECT   18   19   19    3                                            
CONECT   19    4   18   18   20                                       
CONECT   20   19   27    1    1                                       
CONECT   21    5    4    4                                            
CONECT   22    6    4                                                 
CONECT   23    9    8   40                                            
CONECT   24   10   10                                                 
CONECT   25   16   15   15   41                                       
CONECT   26    8    8                                                 
CONECT   27   20   42                                                 
CONECT   28   17   17   17                                            
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   23                                                      
CONECT   41   25                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
