HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: ESI                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -1.507   0.186   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.033   0.186   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -2.277   1.520   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0      -2.277  -1.147   0.000  0.00  0.00           N+1
HETATM    5  S   UNK     0       0.939  -1.059   0.000  0.00  0.00           S+0
HETATM    6  C   UNK     0       2.403  -0.584   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.403   0.956   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.939   1.432   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.737  -1.354   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.071  -0.584   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.071   0.956   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.737   1.726   0.000  0.00  0.00           C+0
HETATM   13  I   UNK     0       3.737   3.266   0.000  0.00  0.00           I+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    8                                                  
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5    2    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8   12                                                  
CONECT    8    2    7                                                       
CONECT    9    6   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12    7   11   13                                                  
CONECT   13   12                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   28    0
END