COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.145   1.154   3.719  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.582  -0.090   4.260  1.00  0.00           C  
HETATM    3  C   UNL     1       0.919  -0.136   3.976  1.00  0.00           C  
HETATM    4  C   UNL     1       1.151  -0.085   2.488  1.00  0.00           C  
HETATM    5  C   UNL     1       1.303   1.134   1.855  1.00  0.00           C  
HETATM    6  C   UNL     1       1.516   1.183   0.491  1.00  0.00           C  
HETATM    7  C   UNL     1       1.217  -1.258   1.759  1.00  0.00           C  
HETATM    8  C   UNL     1       1.424  -1.214   0.394  1.00  0.00           C  
HETATM    9  C   UNL     1       1.577   0.008  -0.243  1.00  0.00           C  
HETATM   10  O   UNL     1       1.787   0.054  -1.585  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.814  -0.141   5.748  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.867   0.882   6.387  1.00  0.00           O  
HETATM   13  OXT UNL     1      -0.962  -1.324   6.365  1.00  0.00           O  
HETATM   14  O   UNL     1       0.762   0.215  -5.818  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.630  -0.193  -5.561  1.00  0.00           N  
HETATM   16  N   UNL     1       1.453  -0.128  -4.561  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.206  -0.102  -3.975  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.792  -0.109  -4.163  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.939  -0.063  -3.374  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.830   0.022  -1.994  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.583   0.060  -1.397  1.00  0.00           C  
HETATM   22  C   UNL     1       0.562   0.015  -2.176  1.00  0.00           C  
HETATM   23  C   UNL     1       0.461  -0.064  -3.562  1.00  0.00           C  
HETATM   24  H1  UNL     1      -0.878   1.194   2.747  1.00  0.00           H  
HETATM   25  H2  UNL     1      -0.669   1.913   4.183  1.00  0.00           H  
HETATM   26  HA  UNL     1      -1.068  -0.944   3.787  1.00  0.00           H  
HETATM   27  H   UNL     1       1.405   0.717   4.449  1.00  0.00           H  
HETATM   28  H   UNL     1       1.337  -1.059   4.377  1.00  0.00           H  
HETATM   29  H   UNL     1       1.255   2.049   2.427  1.00  0.00           H  
HETATM   30  H   UNL     1       1.634   2.136  -0.003  1.00  0.00           H  
HETATM   31  H   UNL     1       1.098  -2.210   2.256  1.00  0.00           H  
HETATM   32  H   UNL     1       1.471  -2.131  -0.174  1.00  0.00           H  
HETATM   33  HXT UNL     1      -1.110  -1.357   7.319  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.221   0.517  -5.965  1.00  0.00           H  
HETATM   35  H   UNL     1       2.100   0.622  -4.372  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.005  -0.070  -3.426  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.283  -0.162  -4.941  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.720   0.057  -1.384  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.501   0.126  -0.323  1.00  0.00           H  
CONECT    1    2   24   25                                            
CONECT    2    1    3   11   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    9    9   30                                       
CONECT    7    4    8    8   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9    6    6    8   10                                       
CONECT   10    9   22                                                 
CONECT   11    2   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   33                                                 
CONECT   14   15   16                                                 
CONECT   15   14   18   34                                            
CONECT   16   14   23   35                                            
CONECT   17   19   36   37                                            
CONECT   18   15   19   19   23                                       
CONECT   19   17   18   18   20                                       
CONECT   20   19   21   21   38                                       
CONECT   21   20   20   22   39                                       
CONECT   22   10   21   23   23                                       
CONECT   23   16   18   22   22                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
