HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Urocanic acid.mol                                 
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -1.958   1.052   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.418   1.052   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.487   2.298   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.011   3.762   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.952   1.822   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       3.198   2.727   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.952   0.282   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.487  -0.194   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       3.198  -0.623   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       4.605   0.003   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.766   1.535   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       5.851  -0.902   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       5.689  -2.434   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.935  -3.339   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.283  -3.060   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.037  -2.155   0.000  0.00  0.00           C+0
HETATM   17  P   UNK     0      -4.268   2.386   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      -5.808   2.386   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -2.728   2.386   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.268  -3.362   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -4.268   3.926   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.268   0.846   0.000  0.00  0.00           O+0
HETATM   23  P   UNK     0      -5.602   0.076   0.000  0.00  0.00           P+0
HETATM   24  O   UNK     0      -6.935  -0.694   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -6.372   1.409   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -4.832  -1.258   0.000  0.00  0.00           O+0
HETATM   27  P   UNK     0      -5.602  -2.592   0.000  0.00  0.00           P+0
HETATM   28  O   UNK     0      -6.372  -3.926   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -6.935  -1.822   0.000  0.00  0.00           O+0
CONECT    1    2   19                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7    2                                                       
CONECT    9    7   10   16                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15    9                                                       
CONECT   17   18   19   21   22                                             
CONECT   18   17                                                            
CONECT   19   17    1                                                       
CONECT   20   27                                                            
CONECT   21   17                                                            
CONECT   22   17   23                                                       
CONECT   23   22   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23   27                                                       
CONECT   27   26   20   28   29                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   60    0
END