COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.108   2.030   0.417  1.00  0.00           O  
HETATM    2  C   UNL     1       3.295   1.790   0.336  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.189   2.798   0.358  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.762   0.388   0.217  1.00  0.00           C  
HETATM    5  N   UNL     1       5.095   0.115   0.001  1.00  0.00           N  
HETATM    6  C   UNL     1       5.537  -1.149  -0.110  1.00  0.00           C  
HETATM    7  O   UNL     1       6.721  -1.347  -0.300  1.00  0.00           O  
HETATM    8  N   UNL     1       4.705  -2.201  -0.015  1.00  0.00           N  
HETATM    9  C   UNL     1       3.386  -2.011   0.197  1.00  0.00           C  
HETATM   10  O   UNL     1       2.630  -2.961   0.283  1.00  0.00           O  
HETATM   11  C   UNL     1       2.879  -0.639   0.326  1.00  0.00           C  
HETATM   12  C   UNL     1       1.414  -0.376   0.564  1.00  0.00           C  
HETATM   13  C   UNL     1       0.687  -0.292  -0.780  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.778  -0.030  -0.543  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.647  -1.075  -0.496  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.014  -0.835  -0.275  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.939  -1.893  -0.220  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.255  -1.628  -0.004  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.706  -0.315   0.166  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.028  -0.082   0.381  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.889  -1.222   0.419  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.835   0.736   0.120  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.469   0.497  -0.102  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.545   1.554  -0.157  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.223   1.284  -0.368  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.329   2.306  -0.414  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.843   3.627  -0.228  1.00  0.00           C  
HETATM   28  HXT UNL     1       3.838   3.695   0.441  1.00  0.00           H  
HETATM   29  H   UNL     1       5.055  -3.101  -0.099  1.00  0.00           H  
HETATM   30  H   UNL     1       0.991  -1.187   1.156  1.00  0.00           H  
HETATM   31  H   UNL     1       1.296   0.565   1.100  1.00  0.00           H  
HETATM   32  H   UNL     1       1.110   0.519  -1.372  1.00  0.00           H  
HETATM   33  H   UNL     1       0.805  -1.234  -1.316  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.289  -2.085  -0.629  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.605  -2.911  -0.350  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.963  -2.443   0.037  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.914  -0.896   0.597  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.835  -1.750  -0.533  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.575  -1.888   1.222  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.195   1.746   0.253  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.878   2.573  -0.027  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.027   4.346  -0.289  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.577   3.843  -1.005  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.318   3.697   0.750  1.00  0.00           H  
HETATM   45  H   UNL     1       5.726   0.848  -0.074  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   28                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   45                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   29                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   30   31                                       
CONECT   13   14   12   32   33                                       
CONECT   14   15   13   25   25                                       
CONECT   15   16   16   14   34                                       
CONECT   16   17   15   15   23                                       
CONECT   17   18   18   16   35                                       
CONECT   18   17   17   19   36                                       
CONECT   19   18   20   22   22                                       
CONECT   20   19   21                                                 
CONECT   21   20   37   38   39                                       
CONECT   22   19   19   23   40                                       
CONECT   23   16   22   24   24                                       
CONECT   24   23   23   25   41                                       
CONECT   25   14   14   24   26                                       
CONECT   26   25   27                                                 
CONECT   27   26   42   43   44                                       
CONECT   28    3                                                      
CONECT   29    8                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45    5                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
