HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: ISA                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  I   UNK     0       4.418   3.149   0.000  0.00  0.00           I+0
HETATM    2  C   UNK     0       3.084   2.379   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.084   0.839   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.751   0.069   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.751   3.149   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.417   2.379   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.417   0.839   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.917   0.069   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.917  -1.471   0.000  0.00  0.00           C+0
HETATM   10  S   UNK     0       0.417  -2.241   0.000  0.00  0.00           S+0
HETATM   11  C   UNK     0      -2.250  -2.241   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.250  -3.781   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -3.584  -1.471   0.000  0.00  0.00           O+0
HETATM   14  H   UNK     0       0.027  -0.926   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2    4                                                       
CONECT    4    3    7                                                       
CONECT    5    2    6                                                       
CONECT    6    5    7                                                       
CONECT    7    4    6    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11   14                                             
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    9                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END