COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.117  -1.759   0.196  1.00  0.00           O  
HETATM    2  C   UNL     1       3.791  -0.597   0.139  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.662   0.362   0.491  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.409  -0.225  -0.332  1.00  0.00           C  
HETATM    5  N   UNL     1       1.835  -1.340  -1.095  1.00  0.00           N  
HETATM    6  C   UNL     1       1.522   0.076   0.878  1.00  0.00           C  
HETATM    7  C   UNL     1       0.157   0.574   0.398  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.701   0.999   1.607  1.00  0.00           C  
HETATM    9  C   UNL     1       0.338   1.742  -0.537  1.00  0.00           C  
HETATM   10  O   UNL     1       0.584   1.528  -1.839  1.00  0.00           O  
HETATM   11  O   UNL     1       0.262   2.872  -0.115  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.544  -0.490  -0.273  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.366  -1.122   0.720  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.932   0.050   1.546  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.458  -1.973   0.105  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.468  -1.100  -0.643  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.819  -0.434  -1.728  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.024  -0.064   0.342  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.944   0.740   0.812  1.00  0.00           O  
HETATM   20  HXT UNL     1       5.538   0.074   0.782  1.00  0.00           H  
HETATM   21  HA  UNL     1       2.468   0.659  -0.968  1.00  0.00           H  
HETATM   22  H1  UNL     1       2.367  -1.517  -1.934  1.00  0.00           H  
HETATM   23  H2  UNL     1       1.770  -2.172  -0.527  1.00  0.00           H  
HETATM   24  H   UNL     1       1.391  -0.832   1.467  1.00  0.00           H  
HETATM   25  H   UNL     1       1.993   0.843   1.492  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.150   0.852   2.536  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.014   2.038   1.507  1.00  0.00           H  
HETATM   28  H   UNL     1       0.692   2.308  -2.400  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.746  -1.751   1.358  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.267  -0.263   2.535  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.012  -2.683  -0.591  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.973  -2.522   0.895  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.280  -1.719  -1.023  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.404   0.138  -2.245  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.756   0.566  -0.163  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.494  -0.574   1.184  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   20                                                 
CONECT    4    2    5    6   21                                       
CONECT    5    4   22   23                                            
CONECT    6    4    7   24   25                                       
CONECT    7    6    8    9   12                                       
CONECT    8    7   14   26   27                                       
CONECT    9    7   10   11   11                                       
CONECT   10    9   28                                                 
CONECT   11    9    9                                                 
CONECT   12    7   13                                                 
CONECT   13   12   14   15   29                                       
CONECT   14    8   13   19   30                                       
CONECT   15   13   16   31   32                                       
CONECT   16   15   17   18   33                                       
CONECT   17   16   34                                                 
CONECT   18   16   19   35   36                                       
CONECT   19   14   18                                                 
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28   10                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
