COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.286  -2.419   0.398  1.00  0.00           O  
HETATM    2  C   UNL     1       3.329  -1.807   0.294  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.501  -2.471   0.289  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.313  -0.331   0.166  1.00  0.00           C  
HETATM    5  N   UNL     1       4.480   0.358  -0.090  1.00  0.00           N  
HETATM    6  C   UNL     1       4.486   1.696  -0.210  1.00  0.00           C  
HETATM    7  O   UNL     1       5.536   2.265  -0.437  1.00  0.00           O  
HETATM    8  N   UNL     1       3.361   2.423  -0.086  1.00  0.00           N  
HETATM    9  C   UNL     1       2.181   1.818   0.166  1.00  0.00           C  
HETATM   10  O   UNL     1       1.162   2.473   0.278  1.00  0.00           O  
HETATM   11  C   UNL     1       2.148   0.356   0.295  1.00  0.00           C  
HETATM   12  C   UNL     1       0.855  -0.365   0.575  1.00  0.00           C  
HETATM   13  C   UNL     1       0.197  -0.764  -0.748  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.141  -1.401  -0.471  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.252  -2.755  -0.401  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.480  -3.363  -0.146  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.605  -2.619   0.040  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.529  -1.216  -0.025  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.668  -0.417   0.162  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.279  -0.599  -0.279  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.201   0.803  -0.344  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.324   1.550  -0.163  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.557   0.943   0.092  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.660   1.716   0.272  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.482   3.131   0.188  1.00  0.00           C  
HETATM   26  HXT UNL     1       4.461  -3.434   0.371  1.00  0.00           H  
HETATM   27  H   UNL     1       3.398   3.388  -0.177  1.00  0.00           H  
HETATM   28  H   UNL     1       1.057  -1.259   1.164  1.00  0.00           H  
HETATM   29  H   UNL     1       0.185   0.293   1.130  1.00  0.00           H  
HETATM   30  H   UNL     1       0.056   0.123  -1.366  1.00  0.00           H  
HETATM   31  H   UNL     1       0.836  -1.474  -1.272  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.375  -3.369  -0.544  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.541  -4.440  -0.095  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.550  -3.103   0.236  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.627  -0.874   0.359  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.255   1.286  -0.536  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.261   2.627  -0.213  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.101   3.391  -0.800  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.438   3.629   0.351  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.770   3.454   0.948  1.00  0.00           H  
HETATM   41  H   UNL     1       5.311  -0.132  -0.186  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   26                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   41                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   27                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   28   29                                       
CONECT   13   14   12   30   31                                       
CONECT   14   15   15   20   13                                       
CONECT   15   16   14   14   32                                       
CONECT   16   17   17   15   33                                       
CONECT   17   16   16   18   34                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   23   35                                       
CONECT   20   18   14   21   21                                       
CONECT   21   20   20   22   36                                       
CONECT   22   23   23   21   37                                       
CONECT   23   19   24   22   22                                       
CONECT   24   25   23                                                 
CONECT   25   24   38   39   40                                       
CONECT   26    3                                                      
CONECT   27    8                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   25                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41    5                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
