COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.378  -1.823  -0.049  1.00  0.00           O  
HETATM    2  C   UNL     1       2.582  -1.689   0.023  1.00  0.00           C  
HETATM    3  OXT UNL     1       3.373  -2.770   0.161  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.182  -0.335  -0.047  1.00  0.00           C  
HETATM    5  N   UNL     1       4.535  -0.163   0.157  1.00  0.00           N  
HETATM    6  C   UNL     1       5.097   1.056   0.097  1.00  0.00           C  
HETATM    7  O   UNL     1       6.294   1.165   0.283  1.00  0.00           O  
HETATM    8  N   UNL     1       4.372   2.158  -0.163  1.00  0.00           N  
HETATM    9  C   UNL     1       3.043   2.068  -0.374  1.00  0.00           C  
HETATM   10  O   UNL     1       2.384   3.063  -0.610  1.00  0.00           O  
HETATM   11  C   UNL     1       2.406   0.746  -0.319  1.00  0.00           C  
HETATM   12  C   UNL     1       0.924   0.594  -0.549  1.00  0.00           C  
HETATM   13  C   UNL     1       0.182   0.768   0.778  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.299   0.616   0.549  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.063   1.722   0.340  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.445   1.585   0.125  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.263   2.706  -0.094  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.598   2.536  -0.299  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.169   1.265  -0.295  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.409   0.156  -0.085  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.026   0.291   0.130  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.210  -0.830   0.348  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.869  -0.661   0.548  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.079  -1.748   0.754  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.719  -3.026   0.742  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.031  -3.390  -0.604  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.900  -3.809  -1.370  1.00  0.00           C  
HETATM   28  HXT UNL     1       2.936  -3.632   0.199  1.00  0.00           H  
HETATM   29  H   UNL     1       5.090  -0.935   0.347  1.00  0.00           H  
HETATM   30  H   UNL     1       4.808   3.024  -0.199  1.00  0.00           H  
HETATM   31  H   UNL     1       0.586   1.351  -1.256  1.00  0.00           H  
HETATM   32  H   UNL     1       0.719  -0.398  -0.952  1.00  0.00           H  
HETATM   33  H   UNL     1       0.520   0.011   1.486  1.00  0.00           H  
HETATM   34  H   UNL     1       0.387   1.760   1.181  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.609   2.702   0.340  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.835   3.697  -0.100  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.224   3.400  -0.467  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.231   1.158  -0.460  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.865  -0.823  -0.084  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.639  -1.821   0.354  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.050  -3.770   1.174  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.636  -2.978   1.328  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.172  -2.998  -1.417  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.444  -4.679  -0.899  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.220  -4.067  -2.380  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   28                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   29                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   30                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   31   32                                       
CONECT   13   14   12   33   34                                       
CONECT   14   15   13   23   23                                       
CONECT   15   16   16   14   35                                       
CONECT   16   17   15   15   21                                       
CONECT   17   18   18   16   36                                       
CONECT   18   17   17   19   37                                       
CONECT   19   18   20   20   38                                       
CONECT   20   19   19   21   39                                       
CONECT   21   16   20   22   22                                       
CONECT   22   21   21   23   40                                       
CONECT   23   14   14   22   24                                       
CONECT   24   23   25                                                 
CONECT   25   26   24   41   42                                       
CONECT   26   27   25                                                 
CONECT   27   26   43   44   45                                       
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
