COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.034  -0.637  -1.795  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.342  -0.077  -0.645  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.695   0.016  -1.301  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.021   1.509   0.033  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.979   1.782   0.991  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.621   0.729   1.623  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.274  -0.565   1.267  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.306  -0.761   0.301  1.00  0.00           C  
HETATM    9  C   UNL     1       1.370  -0.724  -1.103  1.00  0.00           C  
HETATM   10  C   UNL     1       1.891  -1.955  -0.735  1.00  0.00           C  
HETATM   11  CA  UNL     1       3.124  -1.991  -0.100  1.00  0.00           C  
HETATM   12  C   UNL     1       3.729  -3.306   0.318  1.00  0.00           C  
HETATM   13  C   UNL     1       3.236   0.304  -0.232  1.00  0.00           C  
HETATM   14  C   UNL     1       3.984   1.555   0.040  1.00  0.00           C  
HETATM   15  C   UNL     1       3.452   2.786  -0.341  1.00  0.00           C  
HETATM   16  C   UNL     1       4.153   3.947  -0.084  1.00  0.00           C  
HETATM   17  C   UNL     1       5.381   3.891   0.549  1.00  0.00           C  
HETATM   18  C   UNL     1       5.914   2.673   0.929  1.00  0.00           C  
HETATM   19  C   UNL     1       5.220   1.506   0.684  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.716   0.265  -0.281  1.00  0.00           N1+
HETATM   21  N   UNL     1      -2.244  -0.303  -1.394  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.017  -0.388  -0.800  1.00  0.00           N  
HETATM   23  N   UNL     1       3.762  -0.857   0.133  1.00  0.00           N  
HETATM   24  N   UNL     1       2.063   0.372  -0.845  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.240   0.052   0.556  1.00  0.00           O  
HETATM   26  OXT UNL     1       4.541  -3.110   1.477  1.00  0.00           O  
HETATM   27  O   UNL     1       2.686  -4.236   0.619  1.00  0.00           O  
HETATM   28  H   UNL     1       0.051   0.179  -2.517  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.169  -1.576  -2.311  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.694   0.835  -2.022  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.915  -0.920  -1.815  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.519   2.324  -0.468  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.224   2.803   1.244  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.374   0.913   2.376  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.754  -1.410   1.740  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.030  -1.766   0.018  1.00  0.00           H  
HETATM   37  H   UNL     1       1.348  -2.867  -0.937  1.00  0.00           H  
HETATM   38  H   UNL     1       2.493   2.830  -0.836  1.00  0.00           H  
HETATM   39  H   UNL     1       3.741   4.901  -0.379  1.00  0.00           H  
HETATM   40  H   UNL     1       5.926   4.802   0.747  1.00  0.00           H  
HETATM   41  H   UNL     1       6.874   2.635   1.423  1.00  0.00           H  
HETATM   42  H   UNL     1       5.635   0.555   0.985  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.325  -0.406  -2.355  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.011  -1.097  -0.082  1.00  0.00           H  
HETATM   45  HXT UNL     1       4.060  -2.762   2.240  1.00  0.00           H  
HETATM   46  H   UNL     1       3.003  -5.107   0.896  1.00  0.00           H  
HETATM   47  H   UNL     1       4.342  -3.698  -0.494  1.00  0.00           H  
CONECT    1    9   22   28   29                                       
CONECT    2   25   25   21    3                                       
CONECT    3    2   20   30   31                                       
CONECT    4   20   20    5   32                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7   34                                       
CONECT    7    8    8    6   35                                       
CONECT    8   20    7    7   36                                       
CONECT    9   10   10   24    1                                       
CONECT   10   11    9    9   37                                       
CONECT   11   12   23   23   10                                       
CONECT   12   27   26   11   47                                       
CONECT   13   23   14   24   24                                       
CONECT   14   15   13   19   19                                       
CONECT   15   16   16   14   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   16   18   18   40                                       
CONECT   18   17   17   19   41                                       
CONECT   19   14   14   18   42                                       
CONECT   20    3    4    4    8                                       
CONECT   21   22    2   43                                            
CONECT   22    1   21   44                                            
CONECT   23   11   11   13                                            
CONECT   24   13   13    9                                            
CONECT   25    2    2                                                 
CONECT   26   12   45                                                 
CONECT   27   12   46                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   12                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
