COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.079   1.334   0.218  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.710   0.009   0.513  1.00  0.00           C  
HETATM    3  C   UNL     1       0.633  -0.319   0.702  1.00  0.00           C  
HETATM    4  C   UNL     1       1.595   0.661   0.594  1.00  0.00           C  
HETATM    5  C   UNL     1       1.233   1.968   0.299  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.090   2.308   0.118  1.00  0.00           C  
HETATM    7  C   UNL     1       3.047   0.312   0.796  1.00  0.00           C  
HETATM    8  CA  UNL     1       3.667  -0.088  -0.544  1.00  0.00           C  
HETATM    9  C   UNL     1       5.146  -0.317  -0.365  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.764  -1.018   0.611  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.104  -0.649   0.115  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.090  -1.616  -0.081  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.321  -1.244  -0.546  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.595   0.088  -0.825  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.635   1.058  -0.637  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.374   0.703  -0.162  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.406   1.666   0.037  1.00  0.00           N  
HETATM   18  N   UNL     1       3.035  -1.322  -1.027  1.00  0.00           N1+
HETATM   19  O   UNL     1      -1.540  -2.120   1.079  1.00  0.00           O  
HETATM   20  O   UNL     1       5.573  -1.442  -0.257  1.00  0.00           O  
HETATM   21  OXT UNL     1       5.987   0.728  -0.325  1.00  0.00           O  
HETATM   22  H   UNL     1       0.916  -1.336   0.932  1.00  0.00           H  
HETATM   23  H   UNL     1       1.996   2.727   0.216  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.359   3.329  -0.107  1.00  0.00           H  
HETATM   25  H   UNL     1       3.575   1.177   1.198  1.00  0.00           H  
HETATM   26  H   UNL     1       3.126  -0.520   1.496  1.00  0.00           H  
HETATM   27  HA  UNL     1       3.509   0.710  -1.270  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.883  -2.654   0.134  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.086  -1.992  -0.698  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.571   0.367  -1.193  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.859   2.091  -0.858  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.666   2.600   0.054  1.00  0.00           H  
HETATM   33  H1  UNL     1       3.444  -1.586  -1.911  1.00  0.00           H  
HETATM   34  H2  UNL     1       3.181  -2.061  -0.355  1.00  0.00           H  
HETATM   35  HXT UNL     1       6.927   0.530  -0.208  1.00  0.00           H  
HETATM   36  H3  UNL     1       2.045  -1.169  -1.147  1.00  0.00           H  
CONECT    1    2   17    6    6                                       
CONECT    2   10    3    3    1                                       
CONECT    3    2    2    4   22                                       
CONECT    4    3    7    5    5                                       
CONECT    5    4    4    6   23                                       
CONECT    6    1    1    5   24                                       
CONECT    7    8    4   25   26                                       
CONECT    8    9    7   18   27                                       
CONECT    9   20   20   21    8                                       
CONECT   10   19   19   11    2                                       
CONECT   11   12   10   16   16                                       
CONECT   12   13   13   11   28                                       
CONECT   13   12   12   14   29                                       
CONECT   14   13   15   15   30                                       
CONECT   15   14   14   16   31                                       
CONECT   16   11   11   15   17                                       
CONECT   17   16    1   32                                            
CONECT   18    8   33   34   36                                       
CONECT   19   10   10                                                 
CONECT   20    9    9                                                 
CONECT   21    9   35                                                 
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   21                                                      
CONECT   36   18                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
