COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.449   0.004  -0.244  1.00  0.00           C  
HETATM    2  C   UNL     1       7.442  -1.158  -0.176  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.382   0.835  -1.347  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.814  -0.815  -0.283  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.726  -0.041  -0.456  1.00  0.00           O  
HETATM    6  CA  UNL     1      -4.392  -0.365  -0.499  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.749  -0.041   0.850  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.293   0.291   0.646  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.909   1.598   0.410  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.342  -0.712   0.700  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.575   1.904   0.222  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.007  -0.411   0.513  1.00  0.00           C  
HETATM   13  C   UNL     1       0.380   0.899   0.270  1.00  0.00           C  
HETATM   14  O   UNL     1       1.693   1.197   0.085  1.00  0.00           O  
HETATM   15  C   UNL     1       2.620   0.112   0.149  1.00  0.00           C  
HETATM   16  C   UNL     1       4.038   0.639  -0.082  1.00  0.00           C  
HETATM   17  C   UNL     1       5.031  -0.523  -0.014  1.00  0.00           C  
HETATM   18  O   UNL     1       8.766  -0.667  -0.391  1.00  0.00           O  
HETATM   19  H   UNL     1       6.694   0.736   0.525  1.00  0.00           H  
HETATM   20  H   UNL     1       6.507   0.474  -1.225  1.00  0.00           H  
HETATM   21  H   UNL     1       7.384  -1.629   0.806  1.00  0.00           H  
HETATM   22  H   UNL     1       7.197  -1.891  -0.945  1.00  0.00           H  
HETATM   23  H1  UNL     1      -4.743   0.630  -2.267  1.00  0.00           H  
HETATM   24  H2  UNL     1      -4.897   1.587  -0.916  1.00  0.00           H  
HETATM   25  HA  UNL     1      -3.830  -1.160  -0.988  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.256   0.813   1.299  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.836  -0.903   1.511  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.653   2.380   0.371  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.644  -1.732   0.889  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.276   2.925   0.037  1.00  0.00           H  
HETATM   31  H   UNL     1       0.735  -1.195   0.556  1.00  0.00           H  
HETATM   32  H   UNL     1       2.562  -0.358   1.130  1.00  0.00           H  
HETATM   33  H   UNL     1       2.375  -0.620  -0.620  1.00  0.00           H  
HETATM   34  H   UNL     1       4.096   1.109  -1.063  1.00  0.00           H  
HETATM   35  H   UNL     1       4.283   1.371   0.688  1.00  0.00           H  
HETATM   36  H   UNL     1       4.786  -1.256  -0.783  1.00  0.00           H  
HETATM   37  H   UNL     1       4.973  -0.994   0.968  1.00  0.00           H  
HETATM   38  H   UNL     1       9.449  -1.350  -0.361  1.00  0.00           H  
HETATM   39  OXT UNL     1      -6.068  -2.075   0.103  1.00  0.00           O  
HETATM   40  HXT UNL     1      -6.996  -2.317   0.229  1.00  0.00           H  
CONECT    1    2   17   19   20                                       
CONECT    2    1   18   21   22                                       
CONECT    3    6   23   24                                            
CONECT    4    6    5    5   39                                       
CONECT    5    4    4                                                 
CONECT    6    7    3    4   25                                       
CONECT    7    8    6   26   27                                       
CONECT    8    9    9   10    7                                       
CONECT    9   11    8    8   28                                       
CONECT   10   12   12    8   29                                       
CONECT   11   13   13    9   30                                       
CONECT   12   13   10   10   31                                       
CONECT   13   14   11   11   12                                       
CONECT   14   15   13                                                 
CONECT   15   16   14   32   33                                       
CONECT   16   17   15   34   35                                       
CONECT   17    1   16   36   37                                       
CONECT   18    2   38                                                 
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39    4   40                                                 
CONECT   40   39                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
